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 3lxu_1_X DATA FIRST_RESID 18 DATA SEQUENCE KAETGVLNFL QKYPEYDGRD VTIAIFDSGV DPRATGLETL CDGKTVKVIE DATA SEQUENCE RYDCSGCGDV DXKKKVTPDE NGXXXXXXXX XXXXXXXXXX XXXXXEKAVR DATA SEQUENCE VGLKSFSDLL PSKVRNNIVA QAKLKHWDKP HKTATANASR KIVEFESQNP DATA SEQUENCE GEASKLPWDK KILKENLDFE LEXLNSYEKV YGDIKTSYDC ILFPTADGWL DATA SEQUENCE TIVDTTEQGD LDQALRIGEY SRTHETRNVD DFLSISVNVH DEGNVLEVVG DATA SEQUENCE XSSPHGTHVS SIASGNHSSR DVDGVAPNAK IVSXTIGDGR LGSXETGTAL DATA SEQUENCE VRAXTKVXEL CRDGRRIDVI NXSYGEHANW SNSGRIGELX NEVVNKYGVV DATA SEQUENCE WVASAGNHGP ALCTVGTPPD ISQPSLIGVG AYVSPQXXEA XXXXXXXXXX DATA SEQUENCE NVYTWTSRDP CIDGGQGVTV CAPGXXXXXX XXXXXXXXXL XNGTSXAAPH DATA SEQUENCE VAGAVALLIS GLKQQNIEYS PYSIKRAISV TATKLGYVDP FAQGHGLLNV DATA SEQUENCE EKAFEHLTEH RQSKDNXLRF SVRVGNNADK GIHLRQGVQR NSIDYNVYIE DATA SEQUENCE PIFYNDKEAD PKDKFNFNVR LNLIASQPWV QCGAFLDLSY GTRSIAVRVD DATA SEQUENCE PTGLQPGVHS AVIRAYDTDC VQKGSLFEIP VTVVQPHVLE SDQNTPVFEP DATA SEQUENCE ASSKGDNSVE FQPNTIQRDF ILVPERATWA ELRXRITDPN RGEDIGKFFV DATA SEQUENCE HTNQLLPKQS CRKLETXKIV SVGSENESIX AFKVKSGRIL ELCIAKYWSN DATA SEQUENCE YGQSHLKYSL RFRGVEAHNP NAYVXHAGRG IHKLEIEALV AEDVQPQLQL DATA SEQUENCE KNAEVVLKPT EAKISPLSAT RDVIPDGRQV YQNLLAFNLN VAKAADVSIY DATA SEQUENCE APIFNDLLYE AEFESQXWXL FDANKALVAT GDAHSHTSFT KLDKGEYTIR DATA SEQUENCE LQVRHEKRDL LEKISEANLV ASFKLTSPLT LDFYENYNQC IVGGRKYVSS DATA SEQUENCE PLRLSTRVLY IAPITQERLT KANLPAQCAW LSGNLVFPQD EVGRRVAQHP DATA SEQUENCE FTYILNPAEX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XGKANADDYA ESFRDFQCSQ DATA SEQUENCE IVKCELEXAE KIYNDVVAAH PKHLQANLLL IQNIESNQLK SQLPLTFVNA DATA SEQUENCE QKTSPPEAGE SADKQKEDQK KVRSALERIV KLADKVIQET DSEALLSYYG DATA SEQUENCE LKNDTRADAA KIKTNXDKQK NTLIEALSKK GIAVAKLAVL DDCIKDSLAE DATA SEQUENCE INELYTEIIK FVDANDSKAI QFALWHAYAH GHYGRXYKYV VKLIEEKRTR DATA SEQUENCE DHFVELAAIN GALGHEHIRT VINRXXITAF PSSFRLF 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 18 K HA 0.000 nan 4.320 nan 0.000 0.191 18 K C 0.000 176.627 176.600 0.046 0.000 0.988 18 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 18 K CB 0.000 32.485 32.500 -0.024 0.000 1.064 19 A N -0.163 122.676 122.820 0.033 0.000 2.847 19 A HA -0.254 4.061 4.320 -0.009 0.000 0.263 19 A C 0.709 178.367 177.584 0.124 0.000 1.391 19 A CA 1.846 53.912 52.037 0.049 0.000 0.866 19 A CB -2.261 16.748 19.000 0.016 0.000 1.057 19 A HN 0.765 nan 8.150 nan 0.000 0.673 20 E N -0.595 119.684 120.200 0.132 0.000 2.502 20 E HA -0.026 4.319 4.350 -0.009 0.000 0.194 20 E C 1.886 178.582 176.600 0.160 0.000 1.062 20 E CA 0.910 57.440 56.400 0.216 0.000 0.867 20 E CB -0.174 29.559 29.700 0.056 0.000 0.888 20 E HN 0.986 nan 8.360 nan 0.000 0.510 21 T N -2.239 112.380 114.554 0.108 0.000 2.937 21 T HA -0.009 4.336 4.350 -0.009 0.000 0.260 21 T C 2.120 176.937 174.700 0.195 0.000 1.051 21 T CA 0.658 62.821 62.100 0.105 0.000 1.141 21 T CB -0.373 68.545 68.868 0.084 0.000 0.879 21 T HN 0.182 nan 8.240 nan 0.000 0.459 22 G N 1.912 110.814 108.800 0.169 0.000 2.442 22 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.219 22 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.219 22 G C 1.714 176.712 174.900 0.163 0.000 1.141 22 G CA 1.477 46.682 45.100 0.175 0.000 0.763 22 G HN 0.693 nan 8.290 nan 0.000 0.554 23 V N -2.108 117.907 119.914 0.169 0.000 2.825 23 V HA 0.485 4.599 4.120 -0.009 0.000 0.246 23 V C 0.430 176.642 176.094 0.197 0.000 1.068 23 V CA 0.925 63.325 62.300 0.167 0.000 1.088 23 V CB 0.044 31.988 31.823 0.202 0.000 0.733 23 V HN 0.803 nan 8.190 nan 0.000 0.468 24 L N -1.127 120.232 121.223 0.227 0.000 3.285 24 L HA 0.474 4.809 4.340 -0.009 0.000 0.232 24 L C -1.569 175.362 176.870 0.101 0.000 0.996 24 L CA 0.250 55.243 54.840 0.256 0.000 1.046 24 L CB 0.532 42.710 42.059 0.198 0.000 1.549 24 L HN 0.141 nan 8.230 nan 0.000 0.427 25 N N 0.974 119.612 118.700 -0.103 0.000 2.110 25 N HA 0.299 5.033 4.740 -0.009 0.000 0.230 25 N C -0.057 175.083 175.510 -0.617 0.000 1.353 25 N CA 0.242 53.013 53.050 -0.465 0.000 0.807 25 N CB 0.372 38.456 38.487 -0.671 0.000 1.244 25 N HN 0.648 nan 8.380 nan 0.000 0.504 26 F N -0.151 119.822 119.950 0.038 0.000 2.752 26 F HA 0.335 4.856 4.527 -0.009 0.000 0.310 26 F C 1.813 177.656 175.800 0.073 0.000 1.097 26 F CA -0.239 57.786 58.000 0.042 0.000 1.238 26 F CB 0.226 39.253 39.000 0.046 0.000 1.061 26 F HN -0.075 nan 8.300 nan 0.000 0.591 27 L N 0.334 121.689 121.223 0.221 0.000 2.291 27 L HA -0.088 4.247 4.340 -0.009 0.000 0.214 27 L C 2.116 179.051 176.870 0.108 0.000 1.120 27 L CA 1.084 56.019 54.840 0.158 0.000 0.799 27 L CB -0.187 41.848 42.059 -0.039 0.000 0.925 27 L HN 0.017 nan 8.230 nan 0.000 0.446 28 Q N 0.203 120.026 119.800 0.037 0.000 2.500 28 Q HA -0.139 4.196 4.340 -0.009 0.000 0.213 28 Q C 1.392 177.398 176.000 0.010 0.000 0.974 28 Q CA 0.810 56.615 55.803 0.003 0.000 0.918 28 Q CB -0.095 28.616 28.738 -0.045 0.000 0.980 28 Q HN 0.201 nan 8.270 nan 0.000 0.505 29 K N -0.747 119.672 120.400 0.032 0.000 2.505 29 K HA 0.021 4.336 4.320 -0.009 0.000 0.192 29 K C -0.597 175.863 176.600 -0.234 0.000 1.025 29 K CA 0.128 56.379 56.287 -0.060 0.000 1.086 29 K CB -0.002 32.474 32.500 -0.041 0.000 0.840 29 K HN 0.156 nan 8.250 nan 0.000 0.514 30 Y N -0.409 119.753 120.300 -0.229 0.000 2.806 30 Y HA 0.248 4.793 4.550 -0.009 0.000 0.364 30 Y C -1.754 174.056 175.900 -0.151 0.000 1.101 30 Y CA -2.793 55.067 58.100 -0.401 0.000 1.256 30 Y CB 0.843 38.593 38.460 -1.183 0.000 1.363 30 Y HN 0.060 nan 8.280 nan 0.000 0.592 31 P HA -0.176 nan 4.420 nan 0.000 0.220 31 P C 0.948 178.343 177.300 0.159 0.000 1.144 31 P CA 1.467 64.617 63.100 0.085 0.000 0.800 31 P CB 0.437 32.161 31.700 0.041 0.000 0.772 32 E N -1.833 118.533 120.200 0.277 0.000 2.512 32 E HA -0.043 4.302 4.350 -0.009 0.000 0.195 32 E C -0.095 176.660 176.600 0.259 0.000 1.083 32 E CA 0.449 56.997 56.400 0.246 0.000 0.873 32 E CB -0.347 29.481 29.700 0.214 0.000 0.897 32 E HN 0.455 nan 8.360 nan 0.000 0.514 33 Y N 0.875 121.168 120.300 -0.011 0.000 2.764 33 Y HA 0.116 4.661 4.550 -0.009 0.000 0.350 33 Y C 0.726 176.581 175.900 -0.075 0.000 0.982 33 Y CA -1.386 56.671 58.100 -0.072 0.000 1.431 33 Y CB -0.223 38.136 38.460 -0.168 0.000 1.326 33 Y HN -0.038 nan 8.280 nan 0.000 0.550 34 D N -1.487 118.957 120.400 0.073 0.000 2.347 34 D HA 0.138 4.773 4.640 -0.009 0.000 0.215 34 D C 1.736 178.032 176.300 -0.007 0.000 0.976 34 D CA 0.996 55.011 54.000 0.024 0.000 0.884 34 D CB 0.185 40.995 40.800 0.017 0.000 0.915 34 D HN 0.354 nan 8.370 nan 0.000 0.526 35 G N -1.432 107.357 108.800 -0.020 0.000 2.157 35 G HA2 0.074 4.029 3.960 -0.009 0.000 0.114 35 G HA3 0.074 4.029 3.960 -0.009 0.000 0.114 35 G C 0.399 175.276 174.900 -0.037 0.000 1.041 35 G CA -0.175 44.904 45.100 -0.034 0.000 0.714 35 G HN 0.605 nan 8.290 nan 0.000 0.492 36 R N 0.396 120.867 120.500 -0.048 0.000 2.641 36 R HA 0.623 4.958 4.340 -0.009 0.000 0.269 36 R C 0.955 177.228 176.300 -0.045 0.000 1.074 36 R CA 0.636 56.708 56.100 -0.046 0.000 1.133 36 R CB -0.124 30.141 30.300 -0.059 0.000 1.029 36 R HN 1.303 nan 8.270 nan 0.000 0.488 37 D N -0.693 119.690 120.400 -0.029 0.000 2.755 37 D HA -0.121 4.514 4.640 -0.009 0.000 0.227 37 D C -0.819 175.475 176.300 -0.009 0.000 1.211 37 D CA 1.690 55.681 54.000 -0.016 0.000 0.663 37 D CB -0.951 39.838 40.800 -0.017 0.000 0.983 37 D HN 0.995 nan 8.370 nan 0.000 0.407 38 V N 0.408 120.316 119.914 -0.009 0.000 2.950 38 V HA 0.661 4.776 4.120 -0.009 0.000 0.295 38 V C -0.833 175.258 176.094 -0.005 0.000 1.297 38 V CA 0.245 62.543 62.300 -0.004 0.000 0.962 38 V CB 2.276 34.090 31.823 -0.016 0.000 1.081 38 V HN 0.379 nan 8.190 nan 0.000 0.432 39 T N 5.220 119.775 114.554 0.002 0.000 2.812 39 T HA 0.740 5.085 4.350 -0.009 0.000 0.282 39 T C -0.406 174.288 174.700 -0.011 0.000 0.990 39 T CA -0.548 61.553 62.100 0.001 0.000 0.960 39 T CB 1.171 70.049 68.868 0.017 0.000 0.948 39 T HN 0.613 nan 8.240 nan 0.000 0.438 40 I N 2.243 122.801 120.570 -0.020 0.000 2.713 40 I HA 0.625 4.789 4.170 -0.009 0.000 0.300 40 I C 0.623 176.718 176.117 -0.037 0.000 1.009 40 I CA -1.184 60.089 61.300 -0.044 0.000 1.305 40 I CB 1.270 39.242 38.000 -0.048 0.000 1.430 40 I HN 0.864 nan 8.210 nan 0.000 0.546 41 A N 5.651 128.419 122.820 -0.086 0.000 2.303 41 A HA 0.728 5.043 4.320 -0.009 0.000 0.320 41 A C -0.803 176.754 177.584 -0.045 0.000 1.192 41 A CA -0.381 51.635 52.037 -0.035 0.000 0.821 41 A CB 0.585 19.548 19.000 -0.061 0.000 1.188 41 A HN 0.508 nan 8.150 nan 0.000 0.492 42 I N 3.643 124.271 120.570 0.096 0.000 2.412 42 I HA 0.277 4.442 4.170 -0.009 0.000 0.279 42 I C -1.050 175.222 176.117 0.260 0.000 1.063 42 I CA -0.375 60.984 61.300 0.099 0.000 1.193 42 I CB 0.177 38.200 38.000 0.038 0.000 1.370 42 I HN 0.417 nan 8.210 nan 0.000 0.479 43 F N 5.123 125.001 119.950 -0.120 0.000 2.462 43 F HA 0.383 4.905 4.527 -0.009 0.000 0.360 43 F C 0.833 176.533 175.800 -0.166 0.000 1.134 43 F CA -0.174 57.755 58.000 -0.118 0.000 1.148 43 F CB -0.193 38.764 39.000 -0.072 0.000 1.147 43 F HN 0.466 nan 8.300 nan 0.000 0.550 44 D N 0.069 120.392 120.400 -0.128 0.000 3.435 44 D HA 0.062 4.696 4.640 -0.009 0.000 0.352 44 D C 0.022 176.089 176.300 -0.387 0.000 1.460 44 D CA -0.114 53.685 54.000 -0.335 0.000 0.935 44 D CB 1.539 42.317 40.800 -0.038 0.000 1.468 44 D HN 0.175 nan 8.370 nan 0.000 0.573 45 S N 0.014 115.602 115.700 -0.187 0.000 2.743 45 S HA 0.488 4.953 4.470 -0.009 0.000 0.230 45 S C 0.860 175.459 174.600 -0.001 0.000 0.950 45 S CA 0.741 58.914 58.200 -0.044 0.000 0.976 45 S CB -0.417 62.853 63.200 0.118 0.000 0.779 45 S HN 0.958 nan 8.310 nan 0.000 0.487 46 G N -0.085 108.694 108.800 -0.035 0.000 2.712 46 G HA2 0.005 3.960 3.960 -0.009 0.000 0.686 46 G HA3 0.005 3.960 3.960 -0.009 0.000 0.686 46 G C -0.787 174.104 174.900 -0.015 0.000 1.321 46 G CA -0.405 44.678 45.100 -0.029 0.000 0.813 46 G HN 0.907 nan 8.290 nan 0.000 0.599 47 V N 0.504 120.397 119.914 -0.036 0.000 3.166 47 V HA 0.861 4.976 4.120 -0.009 0.000 0.317 47 V C -0.793 175.276 176.094 -0.043 0.000 1.136 47 V CA -0.020 62.258 62.300 -0.038 0.000 1.035 47 V CB 2.165 33.964 31.823 -0.039 0.000 1.110 47 V HN 1.136 nan 8.190 nan 0.000 0.450 48 D N 1.634 122.008 120.400 -0.043 0.000 2.440 48 D HA 0.505 5.140 4.640 -0.009 0.000 0.252 48 D C -2.070 174.214 176.300 -0.027 0.000 1.180 48 D CA -1.776 52.205 54.000 -0.032 0.000 0.894 48 D CB 2.261 43.045 40.800 -0.026 0.000 1.111 48 D HN 0.143 nan 8.370 nan 0.000 0.544 49 P HA -0.139 nan 4.420 nan 0.000 0.215 49 P C 1.327 178.620 177.300 -0.011 0.000 1.157 49 P CA 0.992 64.095 63.100 0.005 0.000 0.863 49 P CB 0.035 31.772 31.700 0.062 0.000 0.787 50 R N 0.121 120.618 120.500 -0.005 0.000 2.200 50 R HA 0.033 4.368 4.340 -0.009 0.000 0.234 50 R C 0.766 177.055 176.300 -0.018 0.000 1.127 50 R CA 0.757 56.851 56.100 -0.012 0.000 0.989 50 R CB -1.230 29.069 30.300 -0.002 0.000 0.869 50 R HN 0.001 nan 8.270 nan 0.000 0.459 51 A N 2.509 125.316 122.820 -0.023 0.000 2.511 51 A HA 0.128 4.443 4.320 -0.009 0.000 0.242 51 A C 0.296 177.858 177.584 -0.037 0.000 1.069 51 A CA 0.273 52.293 52.037 -0.027 0.000 0.763 51 A CB 0.107 19.079 19.000 -0.047 0.000 1.001 51 A HN 0.504 nan 8.150 nan 0.000 0.498 52 T N 0.869 115.412 114.554 -0.019 0.000 2.738 52 T HA 0.420 4.764 4.350 -0.009 0.000 0.277 52 T C 1.217 175.863 174.700 -0.091 0.000 0.981 52 T CA 0.449 62.530 62.100 -0.032 0.000 1.211 52 T CB 0.260 69.150 68.868 0.037 0.000 0.932 52 T HN 2.287 nan 8.240 nan 0.000 0.522 53 G N 2.591 111.229 108.800 -0.271 0.000 2.699 53 G HA2 -0.177 3.777 3.960 -0.009 0.000 0.198 53 G HA3 -0.177 3.777 3.960 -0.009 0.000 0.198 53 G C 0.407 175.164 174.900 -0.238 0.000 1.033 53 G CA -0.183 44.627 45.100 -0.483 0.000 0.728 53 G HN 0.669 nan 8.290 nan 0.000 0.484 54 L N 2.296 123.441 121.223 -0.130 0.000 2.653 54 L HA 0.401 4.735 4.340 -0.009 0.000 0.231 54 L C 1.980 178.809 176.870 -0.069 0.000 1.153 54 L CA 0.742 55.533 54.840 -0.081 0.000 0.933 54 L CB 0.242 42.269 42.059 -0.052 0.000 1.175 54 L HN 0.477 nan 8.230 nan 0.000 0.473 55 E N -0.106 120.040 120.200 -0.089 0.000 2.047 55 E HA -0.046 4.299 4.350 -0.009 0.000 0.191 55 E C 0.593 177.156 176.600 -0.062 0.000 0.987 55 E CA 1.423 57.782 56.400 -0.069 0.000 0.799 55 E CB -0.048 29.607 29.700 -0.076 0.000 0.752 55 E HN 0.486 nan 8.360 nan 0.000 0.449 56 T N -1.416 113.095 114.554 -0.072 0.000 2.868 56 T HA 0.520 4.865 4.350 -0.009 0.000 0.306 56 T C -0.124 174.540 174.700 -0.059 0.000 1.224 56 T CA -1.162 60.904 62.100 -0.058 0.000 1.012 56 T CB 1.322 70.159 68.868 -0.052 0.000 1.221 56 T HN 0.115 nan 8.240 nan 0.000 0.499 57 L N 0.164 121.360 121.223 -0.044 0.000 2.482 57 L HA 0.462 4.797 4.340 -0.009 0.000 0.242 57 L C 2.500 179.349 176.870 -0.036 0.000 1.210 57 L CA -0.800 54.017 54.840 -0.039 0.000 0.819 57 L CB -0.455 41.587 42.059 -0.028 0.000 1.203 57 L HN 1.014 nan 8.230 nan 0.000 0.495 58 C N -3.183 116.099 119.300 -0.029 0.000 2.401 58 C HA -0.144 4.310 4.460 -0.009 0.000 0.286 58 C C 2.042 177.020 174.990 -0.019 0.000 1.332 58 C CA 0.647 59.652 59.018 -0.022 0.000 1.795 58 C CB -1.507 26.224 27.740 -0.014 0.000 1.922 58 C HN 1.037 nan 8.230 nan 0.000 0.520 59 D N 1.433 121.821 120.400 -0.019 0.000 2.315 59 D HA 0.041 4.675 4.640 -0.009 0.000 0.211 59 D C 2.075 178.363 176.300 -0.019 0.000 0.977 59 D CA 1.862 55.852 54.000 -0.017 0.000 0.894 59 D CB -0.735 40.055 40.800 -0.017 0.000 0.910 59 D HN 0.786 nan 8.370 nan 0.000 0.490 60 G N -1.367 107.418 108.800 -0.024 0.000 2.175 60 G HA2 -0.363 3.592 3.960 -0.009 0.000 0.265 60 G HA3 -0.363 3.592 3.960 -0.009 0.000 0.265 60 G C 1.066 175.950 174.900 -0.027 0.000 0.979 60 G CA 1.638 46.723 45.100 -0.026 0.000 0.663 60 G HN 0.838 nan 8.290 nan 0.000 0.533 61 K N -2.015 118.369 120.400 -0.027 0.000 2.770 61 K HA 0.568 4.883 4.320 -0.009 0.000 0.195 61 K C 0.974 177.556 176.600 -0.031 0.000 1.515 61 K CA 1.428 57.699 56.287 -0.027 0.000 1.199 61 K CB -0.052 32.435 32.500 -0.022 0.000 1.681 61 K HN 0.742 nan 8.250 nan 0.000 0.586 62 T N 1.508 116.045 114.554 -0.028 0.000 2.919 62 T HA 0.370 4.715 4.350 -0.009 0.000 0.302 62 T C 0.107 174.786 174.700 -0.034 0.000 1.031 62 T CA 0.085 62.168 62.100 -0.029 0.000 1.127 62 T CB 1.423 70.277 68.868 -0.023 0.000 0.952 62 T HN 0.350 nan 8.240 nan 0.000 0.540 63 V N 3.476 123.367 119.914 -0.039 0.000 2.555 63 V HA 0.235 4.350 4.120 -0.009 0.000 0.286 63 V C 1.144 177.224 176.094 -0.023 0.000 1.044 63 V CA 0.044 62.320 62.300 -0.040 0.000 1.026 63 V CB 1.069 32.855 31.823 -0.062 0.000 0.981 63 V HN 0.911 nan 8.190 nan 0.000 0.480 64 K N 3.791 124.180 120.400 -0.019 0.000 2.099 64 K HA 0.127 4.442 4.320 -0.009 0.000 0.203 64 K C 0.644 177.251 176.600 0.012 0.000 1.047 64 K CA 0.899 57.180 56.287 -0.010 0.000 0.963 64 K CB 0.216 32.702 32.500 -0.023 0.000 0.759 64 K HN 0.646 nan 8.250 nan 0.000 0.451 65 V N 4.083 124.015 119.914 0.029 0.000 1.959 65 V HA -0.043 4.072 4.120 -0.009 0.000 0.242 65 V C 1.436 177.608 176.094 0.130 0.000 1.613 65 V CA 0.281 62.621 62.300 0.067 0.000 1.566 65 V CB -0.848 31.022 31.823 0.079 0.000 1.547 65 V HN 0.370 nan 8.190 nan 0.000 0.503 66 I N 0.079 120.702 120.570 0.087 0.000 2.248 66 I HA -0.122 4.042 4.170 -0.009 0.000 0.248 66 I C 0.954 177.170 176.117 0.165 0.000 1.107 66 I CA 1.712 63.067 61.300 0.092 0.000 1.373 66 I CB 0.389 38.424 38.000 0.058 0.000 1.055 66 I HN 0.518 nan 8.210 nan 0.000 0.418 67 E N 1.010 121.294 120.200 0.140 0.000 2.433 67 E HA 0.497 4.841 4.350 -0.009 0.000 0.273 67 E C -1.048 175.447 176.600 -0.175 0.000 0.950 67 E CA -0.796 55.625 56.400 0.036 0.000 0.796 67 E CB 2.039 31.778 29.700 0.066 0.000 1.330 67 E HN 0.312 nan 8.360 nan 0.000 0.455 68 R N 0.341 120.512 120.500 -0.549 0.000 2.678 68 R HA 0.443 4.777 4.340 -0.009 0.000 0.267 68 R C -1.632 174.318 176.300 -0.583 0.000 1.173 68 R CA -0.627 55.187 56.100 -0.477 0.000 1.061 68 R CB 0.058 30.040 30.300 -0.530 0.000 1.262 68 R HN 0.461 nan 8.270 nan 0.000 0.427 69 Y N 0.537 120.740 120.300 -0.161 0.000 2.659 69 Y HA 0.482 5.026 4.550 -0.009 0.000 0.333 69 Y C -0.148 175.677 175.900 -0.125 0.000 1.064 69 Y CA -1.020 57.008 58.100 -0.121 0.000 1.141 69 Y CB 1.845 40.248 38.460 -0.096 0.000 1.316 69 Y HN 0.610 nan 8.280 nan 0.000 0.509 70 D N -0.282 120.167 120.400 0.081 0.000 2.404 70 D HA 0.244 4.879 4.640 -0.009 0.000 0.267 70 D C -0.379 175.914 176.300 -0.012 0.000 1.194 70 D CA -0.459 53.543 54.000 0.003 0.000 0.910 70 D CB 0.341 41.134 40.800 -0.012 0.000 1.090 70 D HN 0.633 nan 8.370 nan 0.000 0.511 71 C N 1.411 120.673 119.300 -0.063 0.000 2.491 71 C HA -0.020 4.435 4.460 -0.009 0.000 0.277 71 C C 2.523 177.464 174.990 -0.083 0.000 1.455 71 C CA 0.633 59.586 59.018 -0.107 0.000 1.758 71 C CB -1.696 25.925 27.740 -0.198 0.000 1.745 71 C HN 0.689 nan 8.230 nan 0.000 0.558 72 S N 0.747 116.414 115.700 -0.055 0.000 2.428 72 S HA 0.176 4.641 4.470 -0.009 0.000 0.230 72 S C 1.798 176.384 174.600 -0.022 0.000 1.014 72 S CA 1.401 59.580 58.200 -0.035 0.000 0.957 72 S CB -0.559 62.628 63.200 -0.023 0.000 0.784 72 S HN 1.141 nan 8.310 nan 0.000 0.499 73 G N -0.143 108.643 108.800 -0.023 0.000 2.176 73 G HA2 -0.332 3.623 3.960 -0.009 0.000 0.253 73 G HA3 -0.332 3.623 3.960 -0.009 0.000 0.253 73 G C 0.952 175.846 174.900 -0.010 0.000 0.979 73 G CA 0.234 45.328 45.100 -0.009 0.000 0.641 73 G HN 0.822 nan 8.290 nan 0.000 0.530 74 C N 0.938 120.225 119.300 -0.021 0.000 2.448 74 C HA 0.455 4.909 4.460 -0.009 0.000 0.280 74 C C 2.688 177.662 174.990 -0.027 0.000 1.398 74 C CA 1.762 60.761 59.018 -0.032 0.000 1.774 74 C CB -1.050 26.669 27.740 -0.035 0.000 1.888 74 C HN 1.029 nan 8.230 nan 0.000 0.519 75 G N -0.202 108.588 108.800 -0.015 0.000 3.233 75 G HA2 0.171 4.126 3.960 -0.009 0.000 0.234 75 G HA3 0.171 4.126 3.960 -0.009 0.000 0.234 75 G C -0.190 174.709 174.900 -0.002 0.000 1.137 75 G CA -0.034 45.059 45.100 -0.012 0.000 0.763 75 G HN 0.452 nan 8.290 nan 0.000 0.549 76 D N 0.347 120.749 120.400 0.003 0.000 2.382 76 D HA 0.393 5.028 4.640 -0.009 0.000 0.240 76 D C -0.042 176.260 176.300 0.002 0.000 1.146 76 D CA 0.349 54.357 54.000 0.014 0.000 0.897 76 D CB 2.169 42.981 40.800 0.021 0.000 1.197 76 D HN -0.072 nan 8.370 nan 0.000 0.432 77 V N 1.668 121.583 119.914 0.001 0.000 2.760 77 V HA 0.203 4.318 4.120 -0.009 0.000 0.309 77 V C 0.003 176.096 176.094 -0.003 0.000 1.077 77 V CA -0.971 61.326 62.300 -0.004 0.000 0.910 77 V CB 2.296 34.112 31.823 -0.012 0.000 1.008 77 V HN 0.416 nan 8.190 nan 0.000 0.424 81 K N 2.610 123.036 120.400 0.043 0.000 2.263 81 K HA 0.307 4.622 4.320 -0.009 0.000 0.282 81 K C -0.832 175.801 176.600 0.055 0.000 1.089 81 K CA -0.314 56.001 56.287 0.045 0.000 0.907 81 K CB 0.491 33.014 32.500 0.038 0.000 1.148 81 K HN 0.264 nan 8.250 nan 0.000 0.470 82 K N 2.707 123.142 120.400 0.058 0.000 2.205 82 K HA 0.264 4.579 4.320 -0.009 0.000 0.279 82 K C -0.797 175.836 176.600 0.055 0.000 1.027 82 K CA -0.718 55.608 56.287 0.066 0.000 0.932 82 K CB 1.439 33.980 32.500 0.068 0.000 1.032 82 K HN 0.412 nan 8.250 nan 0.000 0.466 83 V N -0.703 119.246 119.914 0.058 0.000 2.655 83 V HA 0.306 4.420 4.120 -0.009 0.000 0.301 83 V C -0.135 175.988 176.094 0.048 0.000 1.082 83 V CA -1.147 61.182 62.300 0.047 0.000 0.899 83 V CB 1.171 33.020 31.823 0.043 0.000 1.014 83 V HN 0.872 nan 8.190 nan 0.000 0.429 84 T N 1.603 116.182 114.554 0.042 0.000 2.916 84 T HA 0.407 4.752 4.350 -0.009 0.000 0.303 84 T C -1.890 172.831 174.700 0.036 0.000 1.025 84 T CA -1.135 60.990 62.100 0.042 0.000 1.142 84 T CB 0.846 69.737 68.868 0.039 0.000 0.947 84 T HN 0.667 nan 8.240 nan 0.000 0.544 85 P HA 0.170 nan 4.420 nan 0.000 0.277 85 P C -0.037 177.275 177.300 0.019 0.000 1.617 85 P CA -0.099 63.018 63.100 0.028 0.000 0.829 85 P CB -0.367 31.352 31.700 0.032 0.000 1.774 86 D N 0.322 120.731 120.400 0.016 0.000 2.368 86 D HA -0.116 4.519 4.640 -0.009 0.000 0.250 86 D C 1.719 178.021 176.300 0.003 0.000 1.142 86 D CA 0.342 54.346 54.000 0.005 0.000 0.925 86 D CB -0.182 40.621 40.800 0.006 0.000 0.896 86 D HN 0.267 nan 8.370 nan 0.000 0.525 87 E N 0.638 120.842 120.200 0.007 0.000 2.113 87 E HA -0.217 4.128 4.350 -0.009 0.000 0.210 87 E C 0.373 176.972 176.600 -0.001 0.000 1.040 87 E CA 1.109 57.512 56.400 0.006 0.000 0.847 87 E CB 0.203 29.908 29.700 0.008 0.000 0.755 87 E HN 0.173 nan 8.360 nan 0.000 0.459 88 N N -1.247 117.449 118.700 -0.006 0.000 2.455 88 N HA 0.379 5.114 4.740 -0.009 0.000 0.285 88 N C -0.740 174.758 175.510 -0.020 0.000 1.080 88 N CA 0.844 53.887 53.050 -0.012 0.000 0.932 88 N CB 1.622 40.102 38.487 -0.012 0.000 1.610 88 N HN 0.304 nan 8.380 nan 0.000 0.493 114 K N 0.231 120.645 120.400 0.024 0.000 3.183 114 K HA 0.786 5.101 4.320 -0.009 0.000 0.233 114 K C 1.072 177.681 176.600 0.015 0.000 2.202 114 K CA 0.663 56.959 56.287 0.016 0.000 1.490 114 K CB -0.671 31.838 32.500 0.015 0.000 2.493 114 K HN 0.513 nan 8.250 nan 0.000 0.551 115 A N 0.490 123.323 122.820 0.022 0.000 2.495 115 A HA 0.688 5.002 4.320 -0.009 0.000 0.260 115 A C 1.136 178.733 177.584 0.021 0.000 1.608 115 A CA 0.670 52.720 52.037 0.021 0.000 0.834 115 A CB -0.113 18.904 19.000 0.027 0.000 1.526 115 A HN 0.968 nan 8.150 nan 0.000 0.578 116 V N -0.992 118.935 119.914 0.021 0.000 3.610 116 V HA 0.530 4.644 4.120 -0.009 0.000 0.285 116 V C -0.050 176.058 176.094 0.022 0.000 1.012 116 V CA -0.516 61.795 62.300 0.018 0.000 0.975 116 V CB 0.938 32.770 31.823 0.015 0.000 1.247 116 V HN 0.819 nan 8.190 nan 0.000 0.424 117 R N 0.260 120.772 120.500 0.020 0.000 2.564 117 R HA 0.728 5.062 4.340 -0.009 0.000 0.284 117 R C -2.064 174.247 176.300 0.019 0.000 1.031 117 R CA -0.559 55.556 56.100 0.024 0.000 0.904 117 R CB 2.161 32.477 30.300 0.026 0.000 1.199 117 R HN 0.420 nan 8.270 nan 0.000 0.443 118 V N 1.311 121.238 119.914 0.021 0.000 2.671 118 V HA 0.665 4.780 4.120 -0.009 0.000 0.292 118 V C -0.662 175.444 176.094 0.020 0.000 1.115 118 V CA -0.652 61.658 62.300 0.017 0.000 0.918 118 V CB 2.069 33.899 31.823 0.012 0.000 1.036 118 V HN 1.001 nan 8.190 nan 0.000 0.445 119 G N 4.497 113.308 108.800 0.019 0.000 2.312 119 G HA2 0.515 4.470 3.960 -0.009 0.000 0.279 119 G HA3 0.515 4.470 3.960 -0.009 0.000 0.279 119 G C -1.844 173.064 174.900 0.013 0.000 2.698 119 G CA -0.213 44.900 45.100 0.023 0.000 0.764 119 G HN 0.505 nan 8.290 nan 0.000 0.465 120 L N 0.985 122.214 121.223 0.010 0.000 2.309 120 L HA 0.782 5.116 4.340 -0.009 0.000 0.240 120 L C 1.415 178.294 176.870 0.014 0.000 1.136 120 L CA -0.409 54.437 54.840 0.009 0.000 0.985 120 L CB 1.155 43.219 42.059 0.008 0.000 1.572 120 L HN 0.622 nan 8.230 nan 0.000 0.426 121 K N -1.437 118.976 120.400 0.022 0.000 3.495 121 K HA -0.174 4.141 4.320 -0.009 0.000 0.288 121 K C 0.768 177.394 176.600 0.044 0.000 0.908 121 K CA 1.395 57.698 56.287 0.026 0.000 1.231 121 K CB -1.452 31.056 32.500 0.013 0.000 1.399 121 K HN 0.545 nan 8.250 nan 0.000 0.465 122 S N 0.813 116.529 115.700 0.028 0.000 2.859 122 S HA 0.075 4.540 4.470 -0.009 0.000 0.245 122 S C 0.167 174.722 174.600 -0.075 0.000 1.008 122 S CA -0.247 57.960 58.200 0.011 0.000 1.089 122 S CB -0.357 62.863 63.200 0.033 0.000 0.798 122 S HN 0.297 nan 8.310 nan 0.000 0.477 123 F N 4.069 123.923 119.950 -0.160 0.000 2.763 123 F HA 0.062 4.583 4.527 -0.009 0.000 0.309 123 F C 0.762 176.483 175.800 -0.131 0.000 1.267 123 F CA -0.670 57.207 58.000 -0.204 0.000 1.417 123 F CB -0.655 38.257 39.000 -0.147 0.000 1.223 123 F HN 0.099 nan 8.300 nan 0.000 0.539 124 S N 0.070 115.711 115.700 -0.098 0.000 2.498 124 S HA 0.093 4.558 4.470 -0.009 0.000 0.314 124 S C 0.239 174.781 174.600 -0.096 0.000 1.141 124 S CA -0.428 57.754 58.200 -0.029 0.000 1.087 124 S CB 0.054 63.279 63.200 0.041 0.000 1.178 124 S HN 0.517 nan 8.310 nan 0.000 0.533 125 D N -0.318 119.997 120.400 -0.141 0.000 2.983 125 D HA -0.196 4.438 4.640 -0.009 0.000 0.225 125 D C 0.957 177.078 176.300 -0.298 0.000 1.174 125 D CA 1.229 55.129 54.000 -0.167 0.000 0.831 125 D CB -2.045 38.702 40.800 -0.088 0.000 1.104 125 D HN 0.842 nan 8.370 nan 0.000 0.421 126 L N -0.291 120.532 121.223 -0.668 0.000 2.869 126 L HA 0.360 4.695 4.340 -0.009 0.000 0.259 126 L C 1.499 177.979 176.870 -0.650 0.000 1.162 126 L CA 0.627 55.003 54.840 -0.774 0.000 0.975 126 L CB -2.026 39.196 42.059 -1.395 0.000 1.217 126 L HN 0.318 nan 8.230 nan 0.000 0.418 127 L N -3.660 117.316 121.223 -0.413 0.000 2.536 127 L HA 0.232 4.567 4.340 -0.009 0.000 0.294 127 L C -1.079 175.720 176.870 -0.119 0.000 1.257 127 L CA -0.465 54.267 54.840 -0.180 0.000 0.850 127 L CB -0.673 41.323 42.059 -0.105 0.000 1.105 127 L HN 0.113 nan 8.230 nan 0.000 0.517 128 P HA 0.062 nan 4.420 nan 0.000 0.245 128 P C 0.438 177.807 177.300 0.114 0.000 1.206 128 P CA 0.920 64.035 63.100 0.025 0.000 0.781 128 P CB 0.385 32.101 31.700 0.027 0.000 0.994 129 S N -4.490 111.265 115.700 0.092 0.000 2.650 129 S HA -0.013 4.452 4.470 -0.009 0.000 0.140 129 S C 0.489 175.163 174.600 0.123 0.000 0.731 129 S CA -0.615 57.727 58.200 0.237 0.000 1.689 129 S CB -0.777 62.529 63.200 0.177 0.000 1.068 129 S HN 0.155 nan 8.310 nan 0.000 0.553 130 K N 0.684 121.106 120.400 0.037 0.000 2.632 130 K HA 0.912 5.227 4.320 -0.009 0.000 0.267 130 K C -0.695 175.922 176.600 0.028 0.000 1.028 130 K CA -0.940 55.371 56.287 0.040 0.000 1.045 130 K CB 1.045 33.577 32.500 0.053 0.000 1.400 130 K HN 0.157 nan 8.250 nan 0.000 0.522 131 V N 0.002 119.963 119.914 0.077 0.000 3.098 131 V HA 0.284 4.398 4.120 -0.009 0.000 0.294 131 V C -1.369 174.809 176.094 0.141 0.000 1.351 131 V CA -0.954 61.430 62.300 0.140 0.000 0.999 131 V CB 2.505 34.400 31.823 0.120 0.000 1.104 131 V HN 0.691 nan 8.190 nan 0.000 0.438 132 R N 2.321 122.927 120.500 0.176 0.000 2.668 132 R HA 0.699 5.034 4.340 -0.009 0.000 0.279 132 R C -0.860 175.503 176.300 0.106 0.000 0.976 132 R CA -0.824 55.354 56.100 0.130 0.000 0.978 132 R CB 1.853 32.234 30.300 0.135 0.000 1.133 132 R HN 0.742 nan 8.270 nan 0.000 0.484 133 N N 0.561 119.305 118.700 0.074 0.000 2.405 133 N HA 0.286 5.021 4.740 -0.009 0.000 0.274 133 N C -1.854 173.682 175.510 0.042 0.000 1.170 133 N CA -0.627 52.459 53.050 0.060 0.000 0.848 133 N CB 2.004 40.528 38.487 0.061 0.000 1.629 133 N HN 0.761 nan 8.380 nan 0.000 0.481 134 N N 1.880 120.602 118.700 0.036 0.000 3.116 134 N HA 0.444 5.178 4.740 -0.009 0.000 0.244 134 N C -1.876 173.651 175.510 0.029 0.000 1.485 134 N CA -0.554 52.512 53.050 0.027 0.000 0.884 134 N CB 1.539 40.036 38.487 0.017 0.000 1.415 134 N HN 0.471 nan 8.380 nan 0.000 0.524 135 I N 1.808 122.389 120.570 0.019 0.000 2.603 135 I HA 0.665 4.830 4.170 -0.009 0.000 0.300 135 I C -1.267 174.852 176.117 0.002 0.000 1.017 135 I CA -0.736 60.575 61.300 0.018 0.000 1.098 135 I CB 1.826 39.831 38.000 0.009 0.000 1.279 135 I HN 0.315 nan 8.210 nan 0.000 0.437 136 V N 6.703 126.615 119.914 -0.003 0.000 2.882 136 V HA 0.693 4.808 4.120 -0.009 0.000 0.295 136 V C -0.613 175.439 176.094 -0.071 0.000 1.273 136 V CA -0.157 62.127 62.300 -0.026 0.000 0.949 136 V CB 1.758 33.577 31.823 -0.007 0.000 1.071 136 V HN 0.943 nan 8.190 nan 0.000 0.432 137 A N 4.593 127.351 122.820 -0.103 0.000 2.246 137 A HA 0.805 5.120 4.320 -0.009 0.000 0.291 137 A C 0.198 177.711 177.584 -0.119 0.000 1.103 137 A CA -0.135 51.802 52.037 -0.166 0.000 0.844 137 A CB 0.997 19.907 19.000 -0.149 0.000 1.136 137 A HN 0.964 nan 8.150 nan 0.000 0.500 138 Q N -0.789 118.932 119.800 -0.133 0.000 2.023 138 Q HA 0.291 4.625 4.340 -0.009 0.000 0.221 138 Q C 0.661 176.612 176.000 -0.082 0.000 0.806 138 Q CA 0.317 56.074 55.803 -0.077 0.000 1.052 138 Q CB 0.872 29.593 28.738 -0.029 0.000 1.229 138 Q HN 0.823 nan 8.270 nan 0.000 0.440 139 A N 0.589 123.352 122.820 -0.094 0.000 2.239 139 A HA -0.049 4.266 4.320 -0.009 0.000 0.209 139 A C 1.528 179.066 177.584 -0.076 0.000 1.171 139 A CA 0.818 52.803 52.037 -0.087 0.000 0.768 139 A CB 0.081 19.031 19.000 -0.084 0.000 0.790 139 A HN 0.132 nan 8.150 nan 0.000 0.478 140 K N -0.702 119.656 120.400 -0.070 0.000 2.387 140 K HA 0.242 4.557 4.320 -0.009 0.000 0.197 140 K C 1.145 177.716 176.600 -0.049 0.000 1.127 140 K CA 0.228 56.480 56.287 -0.058 0.000 0.950 140 K CB -0.070 32.393 32.500 -0.060 0.000 1.017 140 K HN 0.441 nan 8.250 nan 0.000 0.519 141 L N 1.426 122.618 121.223 -0.051 0.000 2.549 141 L HA 0.025 4.360 4.340 -0.009 0.000 0.229 141 L C 0.980 177.815 176.870 -0.059 0.000 1.158 141 L CA 0.751 55.566 54.840 -0.041 0.000 0.842 141 L CB -0.504 41.534 42.059 -0.035 0.000 0.952 141 L HN 0.019 nan 8.230 nan 0.000 0.452 142 K N 0.665 121.004 120.400 -0.102 0.000 2.358 142 K HA 0.226 4.541 4.320 -0.009 0.000 0.260 142 K C -0.516 175.955 176.600 -0.215 0.000 0.956 142 K CA -0.863 55.287 56.287 -0.230 0.000 0.834 142 K CB 0.869 33.225 32.500 -0.239 0.000 1.102 142 K HN 0.151 nan 8.250 nan 0.000 0.431 143 H N 0.770 119.854 119.070 0.024 0.000 3.192 143 H HA -0.090 4.461 4.556 -0.009 0.000 0.295 143 H C 1.227 176.568 175.328 0.022 0.000 0.943 143 H CA 0.823 56.890 56.048 0.031 0.000 1.416 143 H CB -0.247 29.546 29.762 0.052 0.000 1.434 143 H HN 0.817 nan 8.280 nan 0.000 0.565 144 W N 3.533 124.898 121.300 0.109 0.000 2.632 144 W HA -0.090 4.564 4.660 -0.009 0.000 0.248 144 W C 1.008 177.591 176.519 0.106 0.000 1.259 144 W CA 0.599 57.981 57.345 0.062 0.000 1.288 144 W CB -0.553 28.929 29.460 0.037 0.000 1.136 144 W HN 0.969 nan 8.180 nan 0.000 0.640 145 D N -0.720 119.798 120.400 0.198 0.000 2.336 145 D HA 0.044 4.679 4.640 -0.009 0.000 0.228 145 D C 0.729 177.197 176.300 0.280 0.000 1.120 145 D CA 0.278 54.394 54.000 0.194 0.000 0.839 145 D CB -0.650 40.234 40.800 0.139 0.000 0.932 145 D HN 0.427 nan 8.370 nan 0.000 0.509 146 K N 0.974 121.525 120.400 0.252 0.000 3.082 146 K HA 0.259 4.574 4.320 -0.009 0.000 0.203 146 K C -2.008 174.533 176.600 -0.099 0.000 1.177 146 K CA -1.482 54.857 56.287 0.085 0.000 1.041 146 K CB 0.991 33.488 32.500 -0.006 0.000 1.312 146 K HN -0.158 nan 8.250 nan 0.000 0.526 147 P HA -0.090 nan 4.420 nan 0.000 0.236 147 P C 0.670 177.986 177.300 0.028 0.000 1.177 147 P CA 0.563 63.675 63.100 0.019 0.000 0.773 147 P CB 0.005 31.746 31.700 0.069 0.000 0.878 148 H N 0.079 119.187 119.070 0.064 0.000 2.521 148 H HA 0.039 4.590 4.556 -0.009 0.000 0.286 148 H C 1.589 176.960 175.328 0.071 0.000 1.034 148 H CA 0.980 57.060 56.048 0.053 0.000 1.278 148 H CB -0.131 29.645 29.762 0.023 0.000 1.386 148 H HN -0.022 nan 8.280 nan 0.000 0.567 149 K N 2.182 122.350 120.400 -0.386 0.000 2.360 149 K HA -0.066 4.249 4.320 -0.009 0.000 0.201 149 K C 0.244 176.877 176.600 0.055 0.000 1.046 149 K CA 0.978 57.190 56.287 -0.125 0.000 0.940 149 K CB -0.420 32.001 32.500 -0.131 0.000 0.748 149 K HN 0.200 nan 8.250 nan 0.000 0.465 150 T N 1.680 116.275 114.554 0.068 0.000 3.414 150 T HA 0.454 4.799 4.350 -0.009 0.000 0.304 150 T C -0.505 174.291 174.700 0.160 0.000 1.241 150 T CA -0.066 62.126 62.100 0.154 0.000 1.076 150 T CB 0.388 69.369 68.868 0.189 0.000 1.134 150 T HN 0.272 nan 8.240 nan 0.000 0.759 151 A N 2.577 125.489 122.820 0.154 0.000 2.290 151 A HA 0.584 4.899 4.320 -0.009 0.000 0.310 151 A C 0.957 178.590 177.584 0.080 0.000 1.202 151 A CA -0.887 51.219 52.037 0.115 0.000 0.837 151 A CB 0.342 19.424 19.000 0.137 0.000 1.139 151 A HN 0.598 nan 8.150 nan 0.000 0.509 152 T N 0.540 115.094 114.554 0.000 0.000 3.766 152 T HA 0.476 4.820 4.350 -0.009 0.000 0.327 152 T C 0.895 175.579 174.700 -0.026 0.000 1.595 152 T CA 0.099 62.160 62.100 -0.065 0.000 1.204 152 T CB 0.438 69.184 68.868 -0.203 0.000 1.245 152 T HN 0.819 nan 8.240 nan 0.000 0.875 153 A N 3.521 126.353 122.820 0.020 0.000 1.898 153 A HA 0.042 4.357 4.320 -0.009 0.000 0.214 153 A C 1.714 179.302 177.584 0.006 0.000 1.183 153 A CA 0.800 52.849 52.037 0.020 0.000 0.622 153 A CB -0.268 18.759 19.000 0.045 0.000 0.824 153 A HN 0.788 nan 8.150 nan 0.000 0.444 154 N N -1.647 117.065 118.700 0.020 0.000 2.497 154 N HA 0.514 5.248 4.740 -0.009 0.000 0.284 154 N C -0.001 175.523 175.510 0.023 0.000 1.459 154 N CA 0.509 53.568 53.050 0.015 0.000 0.899 154 N CB 0.439 38.949 38.487 0.037 0.000 1.316 154 N HN 0.229 nan 8.380 nan 0.000 0.500 155 A N -0.988 121.818 122.820 -0.023 0.000 2.390 155 A HA 0.284 4.599 4.320 -0.009 0.000 0.225 155 A C 0.832 178.326 177.584 -0.150 0.000 1.232 155 A CA -0.181 51.830 52.037 -0.044 0.000 0.964 155 A CB 0.199 19.106 19.000 -0.156 0.000 1.064 155 A HN 0.200 nan 8.150 nan 0.000 0.525 156 S N 0.501 116.104 115.700 -0.160 0.000 3.266 156 S HA 0.419 4.884 4.470 -0.009 0.000 0.209 156 S C 1.193 175.671 174.600 -0.203 0.000 1.409 156 S CA 0.495 58.591 58.200 -0.174 0.000 1.179 156 S CB -0.322 62.796 63.200 -0.137 0.000 1.218 156 S HN 0.652 nan 8.310 nan 0.000 0.514 157 R N 1.010 121.303 120.500 -0.346 0.000 2.397 157 R HA 0.361 4.695 4.340 -0.009 0.000 0.241 157 R C 1.650 177.653 176.300 -0.496 0.000 0.914 157 R CA 0.347 56.191 56.100 -0.427 0.000 1.071 157 R CB -0.575 29.417 30.300 -0.513 0.000 1.116 157 R HN 0.481 nan 8.270 nan 0.000 0.524 158 K N 1.289 121.448 120.400 -0.402 0.000 2.057 158 K HA -0.092 4.222 4.320 -0.009 0.000 0.207 158 K C 2.174 178.706 176.600 -0.113 0.000 1.049 158 K CA 1.616 57.836 56.287 -0.112 0.000 0.931 158 K CB -0.325 32.186 32.500 0.019 0.000 0.714 158 K HN 0.471 nan 8.250 nan 0.000 0.440 159 I N 0.177 120.670 120.570 -0.128 0.000 2.290 159 I HA -0.162 4.003 4.170 -0.009 0.000 0.253 159 I C 0.744 176.775 176.117 -0.144 0.000 1.112 159 I CA 1.493 62.723 61.300 -0.117 0.000 1.377 159 I CB -1.465 36.468 38.000 -0.111 0.000 1.060 159 I HN -0.243 nan 8.210 nan 0.000 0.428 160 V N 4.188 124.010 119.914 -0.153 0.000 2.220 160 V HA 0.065 4.179 4.120 -0.009 0.000 0.236 160 V C 0.296 176.260 176.094 -0.217 0.000 1.314 160 V CA 0.230 62.403 62.300 -0.212 0.000 1.349 160 V CB -1.636 30.118 31.823 -0.114 0.000 1.428 160 V HN 0.392 nan 8.190 nan 0.000 0.495 161 E N 3.080 123.121 120.200 -0.264 0.000 2.145 161 E HA 0.428 4.772 4.350 -0.009 0.000 0.270 161 E C -1.002 175.462 176.600 -0.226 0.000 0.906 161 E CA -0.560 55.753 56.400 -0.144 0.000 0.761 161 E CB 1.462 31.113 29.700 -0.082 0.000 1.116 161 E HN 0.476 nan 8.360 nan 0.000 0.408 162 F N 2.267 122.225 119.950 0.014 0.000 2.368 162 F HA 0.096 4.618 4.527 -0.009 0.000 0.362 162 F C 0.999 176.799 175.800 0.001 0.000 1.137 162 F CA -0.342 57.663 58.000 0.009 0.000 1.161 162 F CB 0.584 39.594 39.000 0.017 0.000 1.265 162 F HN 0.417 nan 8.300 nan 0.000 0.530 163 E N 2.997 123.254 120.200 0.094 0.000 1.856 163 E HA 0.121 4.466 4.350 -0.009 0.000 0.263 163 E C -0.443 176.194 176.600 0.062 0.000 1.137 163 E CA -0.311 56.123 56.400 0.056 0.000 1.007 163 E CB 0.262 29.967 29.700 0.009 0.000 1.117 163 E HN 0.440 nan 8.360 nan 0.000 0.438 164 S N 3.835 119.579 115.700 0.074 0.000 2.509 164 S HA 0.009 4.474 4.470 -0.009 0.000 0.287 164 S C 0.106 174.714 174.600 0.013 0.000 1.248 164 S CA -0.020 58.208 58.200 0.046 0.000 1.089 164 S CB 0.648 63.865 63.200 0.029 0.000 0.900 164 S HN 0.521 nan 8.310 nan 0.000 0.496 165 Q N 2.187 121.993 119.800 0.009 0.000 2.239 165 Q HA 0.316 4.650 4.340 -0.009 0.000 0.193 165 Q C 0.086 176.078 176.000 -0.013 0.000 1.004 165 Q CA -0.748 55.051 55.803 -0.006 0.000 1.040 165 Q CB 0.611 29.346 28.738 -0.005 0.000 1.149 165 Q HN 0.789 nan 8.270 nan 0.000 0.535 166 N N 0.322 119.010 118.700 -0.019 0.000 2.776 166 N HA 0.301 5.035 4.740 -0.009 0.000 0.245 166 N C -2.545 172.953 175.510 -0.020 0.000 1.121 166 N CA -1.361 51.675 53.050 -0.025 0.000 0.852 166 N CB 0.718 39.183 38.487 -0.036 0.000 1.142 166 N HN 0.176 nan 8.380 nan 0.000 0.514 167 P HA 0.241 nan 4.420 nan 0.000 0.226 167 P C -0.335 176.957 177.300 -0.013 0.000 1.758 167 P CA -0.140 62.953 63.100 -0.012 0.000 0.896 167 P CB 0.260 31.956 31.700 -0.007 0.000 1.784 168 G N -0.218 108.570 108.800 -0.020 0.000 2.741 168 G HA2 0.426 4.381 3.960 -0.009 0.000 0.293 168 G HA3 0.426 4.381 3.960 -0.009 0.000 0.293 168 G C -0.665 174.216 174.900 -0.032 0.000 1.457 168 G CA -0.261 44.825 45.100 -0.023 0.000 1.098 168 G HN 0.084 nan 8.290 nan 0.000 0.536 169 E N -0.380 119.803 120.200 -0.028 0.000 4.619 169 E HA -0.325 4.019 4.350 -0.009 0.000 0.199 169 E C 1.046 177.626 176.600 -0.034 0.000 1.490 169 E CA 1.297 57.677 56.400 -0.033 0.000 2.467 169 E CB -0.811 28.858 29.700 -0.051 0.000 2.095 169 E HN 1.226 nan 8.360 nan 0.000 0.456 170 A N -0.526 122.270 122.820 -0.039 0.000 1.895 170 A HA 0.336 4.651 4.320 -0.009 0.000 0.198 170 A C 0.314 177.873 177.584 -0.043 0.000 1.709 170 A CA 0.842 52.858 52.037 -0.035 0.000 1.194 170 A CB 0.945 19.930 19.000 -0.025 0.000 1.260 170 A HN 0.231 nan 8.150 nan 0.000 0.441 171 S N -0.179 115.490 115.700 -0.052 0.000 2.709 171 S HA 0.416 4.880 4.470 -0.009 0.000 0.302 171 S C -0.905 173.643 174.600 -0.087 0.000 1.127 171 S CA -0.738 57.428 58.200 -0.058 0.000 0.905 171 S CB 1.258 64.433 63.200 -0.042 0.000 1.151 171 S HN 0.323 nan 8.310 nan 0.000 0.510 172 K N 2.066 122.413 120.400 -0.088 0.000 2.079 172 K HA 0.260 4.575 4.320 -0.009 0.000 0.255 172 K C -0.882 175.618 176.600 -0.168 0.000 1.114 172 K CA 0.205 56.417 56.287 -0.125 0.000 1.056 172 K CB -0.198 32.247 32.500 -0.091 0.000 1.176 172 K HN 0.222 nan 8.250 nan 0.000 0.353 173 L N 3.358 124.424 121.223 -0.262 0.000 2.305 173 L HA 0.148 4.483 4.340 -0.009 0.000 0.269 173 L C -3.020 173.517 176.870 -0.555 0.000 1.347 173 L CA -0.724 53.873 54.840 -0.405 0.000 0.660 173 L CB 0.936 42.902 42.059 -0.155 0.000 0.899 173 L HN 0.365 nan 8.230 nan 0.000 0.538 174 P HA 0.579 nan 4.420 nan 0.000 0.296 174 P C -1.475 175.406 177.300 -0.698 0.000 1.310 174 P CA -0.110 62.692 63.100 -0.496 0.000 0.900 174 P CB 0.928 32.475 31.700 -0.256 0.000 1.111 175 W N 0.394 121.716 121.300 0.036 0.000 2.839 175 W HA 0.352 5.007 4.660 -0.009 0.000 0.334 175 W C -0.404 176.146 176.519 0.052 0.000 1.064 175 W CA -0.290 57.083 57.345 0.046 0.000 1.236 175 W CB 1.896 31.381 29.460 0.042 0.000 1.405 175 W HN 0.215 nan 8.180 nan 0.000 0.478 176 D N 2.412 122.997 120.400 0.308 0.000 2.551 176 D HA 0.233 4.868 4.640 -0.009 0.000 0.294 176 D C 0.299 176.733 176.300 0.224 0.000 1.201 176 D CA -0.079 54.145 54.000 0.372 0.000 0.941 176 D CB 0.447 41.467 40.800 0.366 0.000 0.995 176 D HN 0.369 nan 8.370 nan 0.000 0.502 177 K N 0.298 120.767 120.400 0.114 0.000 2.358 177 K HA 0.116 4.431 4.320 -0.009 0.000 0.200 177 K C 2.035 178.647 176.600 0.021 0.000 1.030 177 K CA -0.016 56.313 56.287 0.071 0.000 1.097 177 K CB 0.723 33.239 32.500 0.027 0.000 0.862 177 K HN 0.085 nan 8.250 nan 0.000 0.534 178 K N 1.920 122.303 120.400 -0.028 0.000 2.152 178 K HA -0.121 4.194 4.320 -0.009 0.000 0.206 178 K C 1.858 178.479 176.600 0.035 0.000 1.048 178 K CA 1.815 58.053 56.287 -0.081 0.000 0.933 178 K CB -1.062 31.316 32.500 -0.203 0.000 0.721 178 K HN 0.494 nan 8.250 nan 0.000 0.447 179 I N -2.506 118.145 120.570 0.134 0.000 2.439 179 I HA -0.069 4.096 4.170 -0.009 0.000 0.251 179 I C 2.351 178.585 176.117 0.195 0.000 1.139 179 I CA 0.951 62.373 61.300 0.204 0.000 1.438 179 I CB -0.265 37.876 38.000 0.234 0.000 1.085 179 I HN 0.167 nan 8.210 nan 0.000 0.427 180 L N 0.862 122.165 121.223 0.133 0.000 2.005 180 L HA -0.146 4.188 4.340 -0.009 0.000 0.207 180 L C 2.676 179.515 176.870 -0.053 0.000 1.072 180 L CA 1.433 56.281 54.840 0.013 0.000 0.744 180 L CB -0.574 41.499 42.059 0.024 0.000 0.895 180 L HN 0.127 nan 8.230 nan 0.000 0.433 181 K N 0.218 120.584 120.400 -0.057 0.000 2.103 181 K HA -0.160 4.155 4.320 -0.009 0.000 0.207 181 K C 1.937 178.424 176.600 -0.188 0.000 1.048 181 K CA 1.166 57.388 56.287 -0.109 0.000 0.930 181 K CB -0.229 32.203 32.500 -0.113 0.000 0.716 181 K HN 0.296 nan 8.250 nan 0.000 0.444 182 E N 0.143 120.239 120.200 -0.174 0.000 2.012 182 E HA -0.251 4.093 4.350 -0.009 0.000 0.197 182 E C 1.884 178.306 176.600 -0.296 0.000 1.007 182 E CA 1.436 57.614 56.400 -0.370 0.000 0.816 182 E CB -0.302 29.420 29.700 0.036 0.000 0.762 182 E HN 0.253 nan 8.360 nan 0.000 0.451 183 N N 1.030 119.772 118.700 0.070 0.000 2.060 183 N HA -0.206 4.529 4.740 -0.009 0.000 0.195 183 N C 1.812 177.351 175.510 0.049 0.000 1.028 183 N CA 1.413 54.548 53.050 0.141 0.000 0.861 183 N CB -0.362 38.079 38.487 -0.076 0.000 1.029 183 N HN 0.093 nan 8.380 nan 0.000 0.428 184 L N -0.160 121.029 121.223 -0.056 0.000 1.994 184 L HA -0.152 4.182 4.340 -0.009 0.000 0.208 184 L C 1.879 178.715 176.870 -0.057 0.000 1.071 184 L CA 1.646 56.461 54.840 -0.042 0.000 0.745 184 L CB -0.635 41.389 42.059 -0.059 0.000 0.892 184 L HN 0.152 nan 8.230 nan 0.000 0.431 185 D N -0.386 119.908 120.400 -0.178 0.000 2.158 185 D HA -0.208 4.427 4.640 -0.009 0.000 0.197 185 D C 1.957 178.182 176.300 -0.124 0.000 0.995 185 D CA 1.408 55.274 54.000 -0.223 0.000 0.846 185 D CB -0.109 40.446 40.800 -0.409 0.000 0.941 185 D HN 0.145 nan 8.370 nan 0.000 0.456 186 F N 1.076 121.047 119.950 0.036 0.000 2.259 186 F HA 0.034 4.556 4.527 -0.009 0.000 0.298 186 F C 2.252 178.100 175.800 0.080 0.000 1.088 186 F CA 0.600 58.642 58.000 0.071 0.000 1.358 186 F CB -0.553 38.487 39.000 0.068 0.000 1.040 186 F HN -0.004 nan 8.300 nan 0.000 0.505 187 E N 0.151 120.484 120.200 0.221 0.000 2.031 187 E HA -0.209 4.136 4.350 -0.009 0.000 0.193 187 E C 2.363 179.007 176.600 0.074 0.000 0.994 187 E CA 0.995 57.475 56.400 0.133 0.000 0.800 187 E CB -0.497 29.281 29.700 0.129 0.000 0.752 187 E HN 0.211 nan 8.360 nan 0.000 0.447 188 L N 1.878 123.141 121.223 0.067 0.000 2.042 188 L HA -0.141 4.194 4.340 -0.009 0.000 0.210 188 L C 1.002 177.898 176.870 0.043 0.000 1.076 188 L CA 1.637 56.500 54.840 0.038 0.000 0.749 188 L CB -0.617 41.455 42.059 0.021 0.000 0.893 188 L HN 0.123 nan 8.230 nan 0.000 0.432 192 N N 0.499 119.221 118.700 0.035 0.000 2.166 192 N HA -0.145 4.589 4.740 -0.009 0.000 0.186 192 N C 1.736 177.274 175.510 0.048 0.000 1.019 192 N CA 1.884 54.958 53.050 0.039 0.000 0.856 192 N CB -0.167 38.338 38.487 0.030 0.000 0.993 192 N HN 0.238 nan 8.380 nan 0.000 0.426 193 S N -0.283 115.433 115.700 0.027 0.000 2.368 193 S HA -0.100 4.365 4.470 -0.009 0.000 0.225 193 S C 1.818 176.385 174.600 -0.055 0.000 1.030 193 S CA 0.905 59.092 58.200 -0.021 0.000 0.999 193 S CB -0.297 62.879 63.200 -0.041 0.000 0.844 193 S HN 0.377 nan 8.310 nan 0.000 0.459 194 Y N 1.218 121.528 120.300 0.015 0.000 2.314 194 Y HA -0.006 4.539 4.550 -0.009 0.000 0.293 194 Y C 2.514 178.471 175.900 0.094 0.000 1.129 194 Y CA 1.325 59.451 58.100 0.044 0.000 1.201 194 Y CB -0.230 38.230 38.460 0.000 0.000 0.999 194 Y HN 0.335 nan 8.280 nan 0.000 0.541 195 E N 1.108 121.430 120.200 0.204 0.000 2.077 195 E HA -0.189 4.156 4.350 -0.009 0.000 0.193 195 E C 1.603 178.283 176.600 0.132 0.000 0.989 195 E CA 1.591 58.079 56.400 0.146 0.000 0.800 195 E CB -0.112 29.633 29.700 0.075 0.000 0.746 195 E HN 0.301 nan 8.360 nan 0.000 0.452 196 K N -0.547 119.911 120.400 0.095 0.000 2.442 196 K HA -0.009 4.305 4.320 -0.009 0.000 0.198 196 K C 1.534 178.188 176.600 0.091 0.000 1.042 196 K CA 0.932 57.264 56.287 0.075 0.000 0.958 196 K CB 0.353 32.880 32.500 0.045 0.000 0.766 196 K HN 0.079 nan 8.250 nan 0.000 0.474 197 V N -0.232 119.753 119.914 0.119 0.000 3.621 197 V HA -0.084 4.031 4.120 -0.009 0.000 0.263 197 V C 1.556 177.743 176.094 0.155 0.000 1.272 197 V CA 0.133 62.498 62.300 0.107 0.000 1.080 197 V CB -0.378 31.480 31.823 0.057 0.000 0.816 197 V HN 0.201 nan 8.190 nan 0.000 0.451 198 Y N 2.547 122.907 120.300 0.100 0.000 2.030 198 Y HA -0.320 4.224 4.550 -0.009 0.000 0.272 198 Y C 2.377 178.321 175.900 0.074 0.000 1.185 198 Y CA 2.334 60.495 58.100 0.101 0.000 1.120 198 Y CB -0.700 37.816 38.460 0.092 0.000 0.955 198 Y HN 0.272 nan 8.280 nan 0.000 0.495 199 G N -0.857 108.105 108.800 0.270 0.000 2.501 199 G HA2 -0.232 3.722 3.960 -0.009 0.000 0.220 199 G HA3 -0.232 3.722 3.960 -0.009 0.000 0.220 199 G C 1.087 176.016 174.900 0.049 0.000 1.114 199 G CA 1.149 46.349 45.100 0.167 0.000 0.757 199 G HN 0.454 nan 8.290 nan 0.000 0.559 200 D N -0.037 120.380 120.400 0.029 0.000 2.348 200 D HA 0.036 4.671 4.640 -0.009 0.000 0.211 200 D C 0.507 176.789 176.300 -0.029 0.000 0.998 200 D CA -0.065 53.939 54.000 0.007 0.000 0.873 200 D CB 0.345 41.160 40.800 0.025 0.000 0.925 200 D HN 0.176 nan 8.370 nan 0.000 0.524 201 I N 2.277 122.797 120.570 -0.082 0.000 2.406 201 I HA -0.027 4.138 4.170 -0.009 0.000 0.293 201 I C 0.530 176.579 176.117 -0.114 0.000 1.101 201 I CA -0.018 61.217 61.300 -0.108 0.000 1.334 201 I CB 0.133 38.014 38.000 -0.197 0.000 1.421 201 I HN -0.362 nan 8.210 nan 0.000 0.513 202 K N 4.183 124.531 120.400 -0.087 0.000 2.172 202 K HA 0.475 4.790 4.320 -0.009 0.000 0.276 202 K C 0.317 176.839 176.600 -0.130 0.000 1.013 202 K CA -0.628 55.596 56.287 -0.105 0.000 0.913 202 K CB 0.987 33.430 32.500 -0.094 0.000 1.055 202 K HN 0.608 nan 8.250 nan 0.000 0.461 203 T N -0.972 113.471 114.554 -0.184 0.000 2.794 203 T HA 0.364 4.708 4.350 -0.009 0.000 0.280 203 T C -0.277 174.182 174.700 -0.402 0.000 0.987 203 T CA -0.744 61.209 62.100 -0.244 0.000 0.993 203 T CB 1.086 69.813 68.868 -0.236 0.000 0.939 203 T HN 0.331 nan 8.240 nan 0.000 0.449 204 S N 2.900 118.413 115.700 -0.310 0.000 2.454 204 S HA 0.605 5.070 4.470 -0.009 0.000 0.306 204 S C -1.127 173.339 174.600 -0.224 0.000 1.100 204 S CA -0.636 57.389 58.200 -0.291 0.000 1.087 204 S CB 0.361 63.484 63.200 -0.128 0.000 1.019 204 S HN 0.662 nan 8.310 nan 0.000 0.480 205 Y N 0.766 121.061 120.300 -0.009 0.000 2.458 205 Y HA 0.412 4.957 4.550 -0.009 0.000 0.322 205 Y C 0.698 176.597 175.900 -0.002 0.000 1.259 205 Y CA -1.407 56.690 58.100 -0.005 0.000 1.302 205 Y CB 0.567 39.022 38.460 -0.008 0.000 1.314 205 Y HN 0.462 nan 8.280 nan 0.000 0.509 206 D N 0.290 120.807 120.400 0.195 0.000 2.225 206 D HA 0.339 4.973 4.640 -0.009 0.000 0.248 206 D C -1.051 175.300 176.300 0.085 0.000 1.096 206 D CA 0.095 54.158 54.000 0.105 0.000 0.863 206 D CB 1.216 42.063 40.800 0.078 0.000 1.156 206 D HN 0.406 nan 8.370 nan 0.000 0.450 207 C N 3.150 122.489 119.300 0.065 0.000 2.417 207 C HA 0.658 5.113 4.460 -0.009 0.000 0.324 207 C C 0.105 175.124 174.990 0.047 0.000 1.240 207 C CA -0.652 58.394 59.018 0.046 0.000 1.632 207 C CB 0.305 28.065 27.740 0.033 0.000 2.241 207 C HN 0.430 nan 8.230 nan 0.000 0.499 208 I N 4.217 124.816 120.570 0.049 0.000 2.619 208 I HA 0.710 4.875 4.170 -0.009 0.000 0.292 208 I C -0.770 175.384 176.117 0.061 0.000 1.100 208 I CA -0.633 60.718 61.300 0.085 0.000 1.043 208 I CB 1.664 39.742 38.000 0.129 0.000 1.239 208 I HN 0.625 nan 8.210 nan 0.000 0.420 209 L N 3.721 125.006 121.223 0.103 0.000 2.505 209 L HA 0.790 5.125 4.340 -0.009 0.000 0.259 209 L C -1.824 175.188 176.870 0.236 0.000 0.952 209 L CA -0.604 54.259 54.840 0.039 0.000 0.840 209 L CB 2.312 44.374 42.059 0.005 0.000 1.358 209 L HN 0.634 nan 8.230 nan 0.000 0.409 210 F N 0.202 120.289 119.950 0.228 0.000 2.613 210 F HA 0.869 5.390 4.527 -0.009 0.000 0.310 210 F C -2.845 172.815 175.800 -0.233 0.000 1.085 210 F CA -2.560 55.478 58.000 0.064 0.000 0.945 210 F CB 1.186 40.145 39.000 -0.068 0.000 1.298 210 F HN 0.183 nan 8.300 nan 0.000 0.455 211 P HA 0.194 nan 4.420 nan 0.000 0.266 211 P C 0.096 177.151 177.300 -0.409 0.000 1.586 211 P CA -0.083 62.502 63.100 -0.860 0.000 1.088 211 P CB 0.547 31.782 31.700 -0.775 0.000 1.584 212 T N 0.221 114.584 114.554 -0.317 0.000 2.801 212 T HA 0.435 4.780 4.350 -0.009 0.000 0.324 212 T C 1.328 175.913 174.700 -0.192 0.000 1.088 212 T CA 0.195 62.202 62.100 -0.156 0.000 0.975 212 T CB 0.354 69.180 68.868 -0.071 0.000 1.316 212 T HN 0.103 nan 8.240 nan 0.000 0.533 213 A N -0.221 122.527 122.820 -0.120 0.000 1.956 213 A HA 0.182 4.496 4.320 -0.009 0.000 0.212 213 A C 1.838 179.372 177.584 -0.084 0.000 1.188 213 A CA 0.543 52.519 52.037 -0.101 0.000 0.675 213 A CB -0.585 18.375 19.000 -0.067 0.000 0.845 213 A HN 0.804 nan 8.150 nan 0.000 0.455 214 D N -0.168 120.188 120.400 -0.074 0.000 2.392 214 D HA 0.277 4.912 4.640 -0.009 0.000 0.228 214 D C 1.263 177.532 176.300 -0.051 0.000 1.003 214 D CA 1.341 55.307 54.000 -0.058 0.000 0.917 214 D CB 0.240 41.004 40.800 -0.060 0.000 0.890 214 D HN 0.580 nan 8.370 nan 0.000 0.532 215 G N -0.556 108.199 108.800 -0.075 0.000 2.039 215 G HA2 -0.150 3.804 3.960 -0.009 0.000 0.207 215 G HA3 -0.150 3.804 3.960 -0.009 0.000 0.207 215 G C -1.423 173.437 174.900 -0.068 0.000 1.133 215 G CA -0.377 44.705 45.100 -0.029 0.000 1.296 215 G HN 0.132 nan 8.290 nan 0.000 0.459 216 W N 0.772 122.000 121.300 -0.121 0.000 3.097 216 W HA 0.738 5.393 4.660 -0.009 0.000 0.335 216 W C -1.224 175.142 176.519 -0.254 0.000 1.114 216 W CA -0.806 56.432 57.345 -0.177 0.000 1.231 216 W CB 1.640 31.014 29.460 -0.145 0.000 1.388 216 W HN 0.552 nan 8.180 nan 0.000 0.485 217 L N 4.319 125.456 121.223 -0.143 0.000 2.313 217 L HA 0.546 4.880 4.340 -0.009 0.000 0.283 217 L C -0.028 176.627 176.870 -0.358 0.000 1.013 217 L CA 0.032 54.671 54.840 -0.336 0.000 0.816 217 L CB 1.892 43.614 42.059 -0.561 0.000 1.236 217 L HN 0.337 nan 8.230 nan 0.000 0.419 218 T N 5.359 119.798 114.554 -0.191 0.000 2.856 218 T HA 0.658 5.003 4.350 -0.009 0.000 0.283 218 T C -0.681 173.969 174.700 -0.084 0.000 1.008 218 T CA -0.466 61.555 62.100 -0.132 0.000 0.997 218 T CB 0.895 69.709 68.868 -0.091 0.000 0.992 218 T HN 0.432 nan 8.240 nan 0.000 0.454 219 I N 4.167 124.713 120.570 -0.040 0.000 2.436 219 I HA 0.490 4.655 4.170 -0.009 0.000 0.289 219 I C -0.768 175.349 176.117 -0.001 0.000 1.010 219 I CA -1.185 60.112 61.300 -0.005 0.000 1.098 219 I CB 2.291 40.318 38.000 0.044 0.000 1.266 219 I HN 0.334 nan 8.210 nan 0.000 0.434 220 V N 4.351 124.253 119.914 -0.021 0.000 2.357 220 V HA 0.153 4.268 4.120 -0.009 0.000 0.284 220 V C -0.135 175.904 176.094 -0.091 0.000 1.018 220 V CA -0.547 61.732 62.300 -0.035 0.000 0.841 220 V CB 1.660 33.457 31.823 -0.044 0.000 0.991 220 V HN 0.651 nan 8.190 nan 0.000 0.437 221 D N 3.957 124.315 120.400 -0.071 0.000 2.422 221 D HA 0.030 4.665 4.640 -0.009 0.000 0.263 221 D C 1.332 177.462 176.300 -0.284 0.000 1.334 221 D CA 0.483 54.423 54.000 -0.100 0.000 1.105 221 D CB 0.774 41.567 40.800 -0.011 0.000 1.107 221 D HN 0.627 nan 8.370 nan 0.000 0.522 222 T N 1.293 115.672 114.554 -0.290 0.000 2.668 222 T HA -0.088 4.257 4.350 -0.009 0.000 0.262 222 T C 0.896 175.448 174.700 -0.246 0.000 1.045 222 T CA 0.884 62.753 62.100 -0.385 0.000 1.152 222 T CB -0.141 68.584 68.868 -0.239 0.000 0.864 222 T HN 0.336 nan 8.240 nan 0.000 0.419 223 T N 3.332 117.808 114.554 -0.130 0.000 3.185 223 T HA 0.169 4.514 4.350 -0.009 0.000 0.287 223 T C 0.990 175.669 174.700 -0.035 0.000 1.051 223 T CA -0.169 61.893 62.100 -0.064 0.000 1.051 223 T CB 0.304 69.147 68.868 -0.041 0.000 1.034 223 T HN 0.392 nan 8.240 nan 0.000 0.685 224 E N 2.089 122.283 120.200 -0.011 0.000 2.108 224 E HA -0.324 4.020 4.350 -0.009 0.000 0.203 224 E C 2.223 178.840 176.600 0.028 0.000 1.022 224 E CA 1.619 58.040 56.400 0.035 0.000 0.823 224 E CB -0.090 29.662 29.700 0.086 0.000 0.744 224 E HN 0.802 nan 8.360 nan 0.000 0.456 225 Q N 1.025 120.838 119.800 0.022 0.000 1.732 225 Q HA -0.062 4.272 4.340 -0.009 0.000 0.350 225 Q C 1.341 177.348 176.000 0.012 0.000 0.976 225 Q CA 1.167 56.981 55.803 0.019 0.000 0.895 225 Q CB -1.051 27.698 28.738 0.017 0.000 0.934 225 Q HN 0.178 nan 8.270 nan 0.000 0.413 226 G N 1.123 109.926 108.800 0.006 0.000 2.209 226 G HA2 0.200 4.155 3.960 -0.009 0.000 0.271 226 G HA3 0.200 4.155 3.960 -0.009 0.000 0.271 226 G C 0.306 175.208 174.900 0.003 0.000 1.111 226 G CA 0.440 45.543 45.100 0.004 0.000 1.092 226 G HN 0.624 nan 8.290 nan 0.000 0.416 227 D N 2.920 123.325 120.400 0.009 0.000 2.378 227 D HA 0.190 4.825 4.640 -0.009 0.000 0.227 227 D C 1.406 177.714 176.300 0.012 0.000 1.012 227 D CA 0.053 54.060 54.000 0.012 0.000 0.905 227 D CB -0.078 40.733 40.800 0.019 0.000 0.895 227 D HN 0.401 nan 8.370 nan 0.000 0.532 228 L N 0.588 121.815 121.223 0.008 0.000 2.473 228 L HA 0.111 4.446 4.340 -0.009 0.000 0.280 228 L C 0.936 177.813 176.870 0.011 0.000 1.266 228 L CA 0.311 55.156 54.840 0.009 0.000 0.824 228 L CB 0.390 42.451 42.059 0.004 0.000 1.091 228 L HN 0.082 nan 8.230 nan 0.000 0.534 229 D N 0.519 120.928 120.400 0.015 0.000 2.652 229 D HA 0.000 4.635 4.640 -0.009 0.000 0.247 229 D C 0.018 176.323 176.300 0.009 0.000 1.232 229 D CA 0.530 54.542 54.000 0.020 0.000 0.863 229 D CB -0.280 40.535 40.800 0.026 0.000 1.023 229 D HN 0.469 nan 8.370 nan 0.000 0.474 230 Q N 0.269 120.068 119.800 -0.001 0.000 2.824 230 Q HA 0.589 4.924 4.340 -0.009 0.000 0.371 230 Q C -0.282 175.702 176.000 -0.025 0.000 1.071 230 Q CA -0.380 55.416 55.803 -0.011 0.000 1.064 230 Q CB 1.340 30.071 28.738 -0.012 0.000 1.332 230 Q HN 0.152 nan 8.270 nan 0.000 0.445 231 A N 0.297 123.102 122.820 -0.025 0.000 2.535 231 A HA 0.625 4.940 4.320 -0.009 0.000 0.296 231 A C -1.563 175.999 177.584 -0.037 0.000 1.248 231 A CA -0.786 51.222 52.037 -0.047 0.000 0.686 231 A CB 0.713 19.680 19.000 -0.056 0.000 1.315 231 A HN 0.290 nan 8.150 nan 0.000 0.460 232 L N 1.214 122.406 121.223 -0.052 0.000 2.500 232 L HA 0.276 4.611 4.340 -0.009 0.000 0.272 232 L C 0.501 177.362 176.870 -0.015 0.000 1.149 232 L CA 1.075 55.897 54.840 -0.031 0.000 0.897 232 L CB -0.275 41.759 42.059 -0.042 0.000 1.178 232 L HN 0.564 nan 8.230 nan 0.000 0.473 233 R N 5.175 125.674 120.500 -0.002 0.000 2.860 233 R HA 0.457 4.792 4.340 -0.009 0.000 0.282 233 R C -0.580 175.712 176.300 -0.013 0.000 1.408 233 R CA -0.339 55.749 56.100 -0.020 0.000 1.636 233 R CB 0.374 30.658 30.300 -0.026 0.000 1.187 233 R HN 0.491 nan 8.270 nan 0.000 0.611 234 I N 0.531 121.115 120.570 0.022 0.000 2.612 234 I HA 0.352 4.516 4.170 -0.009 0.000 0.295 234 I C 1.027 177.175 176.117 0.051 0.000 1.011 234 I CA -0.423 60.953 61.300 0.128 0.000 1.326 234 I CB 1.415 39.486 38.000 0.117 0.000 1.427 234 I HN 0.439 nan 8.210 nan 0.000 0.537 235 G N 2.806 111.717 108.800 0.185 0.000 2.537 235 G HA2 0.390 4.344 3.960 -0.009 0.000 0.323 235 G HA3 0.390 4.344 3.960 -0.009 0.000 0.323 235 G C -0.894 174.080 174.900 0.124 0.000 1.207 235 G CA -0.613 44.511 45.100 0.040 0.000 0.976 235 G HN 0.643 nan 8.290 nan 0.000 0.487 236 E N 0.072 120.315 120.200 0.073 0.000 2.606 236 E HA -0.077 4.268 4.350 -0.009 0.000 0.248 236 E C 0.095 176.742 176.600 0.079 0.000 1.005 236 E CA 0.043 56.478 56.400 0.059 0.000 0.946 236 E CB 0.745 30.477 29.700 0.054 0.000 0.928 236 E HN 0.541 nan 8.360 nan 0.000 0.494 237 Y N 3.849 124.115 120.300 -0.057 0.000 2.114 237 Y HA -0.342 4.203 4.550 -0.009 0.000 0.282 237 Y C 2.507 178.358 175.900 -0.081 0.000 1.165 237 Y CA 2.270 60.319 58.100 -0.086 0.000 1.148 237 Y CB -0.076 38.295 38.460 -0.149 0.000 0.972 237 Y HN 0.626 nan 8.280 nan 0.000 0.504 238 S N 0.030 115.791 115.700 0.102 0.000 2.356 238 S HA -0.270 4.195 4.470 -0.009 0.000 0.223 238 S C 1.912 176.520 174.600 0.013 0.000 1.032 238 S CA 1.336 59.567 58.200 0.051 0.000 1.005 238 S CB -0.641 62.585 63.200 0.043 0.000 0.867 238 S HN 0.484 nan 8.310 nan 0.000 0.449 239 R N 2.047 122.557 120.500 0.017 0.000 2.535 239 R HA 0.058 4.393 4.340 -0.009 0.000 0.233 239 R C 0.511 176.804 176.300 -0.012 0.000 1.202 239 R CA 0.889 56.996 56.100 0.012 0.000 1.205 239 R CB -1.016 29.303 30.300 0.032 0.000 1.153 239 R HN 0.774 nan 8.270 nan 0.000 0.512 240 T N -5.926 108.590 114.554 -0.062 0.000 5.686 240 T HA -0.261 4.084 4.350 -0.009 0.000 0.270 240 T C 0.155 174.798 174.700 -0.095 0.000 2.203 240 T CA 1.380 63.416 62.100 -0.107 0.000 3.730 240 T CB -2.117 66.714 68.868 -0.062 0.000 0.770 240 T HN 0.603 nan 8.240 nan 0.000 1.144 241 H N 2.472 121.438 119.070 -0.173 0.000 2.820 241 H HA 0.398 4.948 4.556 -0.009 0.000 0.291 241 H C 0.753 175.908 175.328 -0.288 0.000 1.412 241 H CA -0.133 55.814 56.048 -0.168 0.000 1.176 241 H CB -0.268 29.437 29.762 -0.095 0.000 1.467 241 H HN 0.668 nan 8.280 nan 0.000 0.517 242 E N 0.856 120.692 120.200 -0.607 0.000 2.860 242 E HA 0.037 4.382 4.350 -0.009 0.000 0.318 242 E C -0.271 175.906 176.600 -0.706 0.000 1.481 242 E CA 0.067 55.731 56.400 -1.227 0.000 1.613 242 E CB -0.082 28.874 29.700 -1.241 0.000 1.279 242 E HN 0.317 nan 8.360 nan 0.000 0.489 243 T N 1.289 115.528 114.554 -0.525 0.000 2.876 243 T HA 0.306 4.651 4.350 -0.009 0.000 0.289 243 T C -0.187 174.420 174.700 -0.155 0.000 1.014 243 T CA -1.061 60.836 62.100 -0.337 0.000 0.986 243 T CB 1.135 69.720 68.868 -0.472 0.000 1.021 243 T HN 0.358 nan 8.240 nan 0.000 0.458 244 R N 2.315 122.783 120.500 -0.053 0.000 2.347 244 R HA 0.530 4.864 4.340 -0.009 0.000 0.304 244 R C -0.521 175.762 176.300 -0.028 0.000 1.072 244 R CA -0.482 55.611 56.100 -0.011 0.000 0.980 244 R CB 0.086 30.389 30.300 0.004 0.000 0.986 244 R HN 0.243 nan 8.270 nan 0.000 0.448 245 N N 2.113 120.806 118.700 -0.011 0.000 2.361 245 N HA 0.392 5.127 4.740 -0.009 0.000 0.302 245 N C -1.156 174.344 175.510 -0.017 0.000 1.074 245 N CA -0.813 52.232 53.050 -0.009 0.000 0.850 245 N CB 2.210 40.703 38.487 0.011 0.000 1.228 245 N HN 0.384 nan 8.380 nan 0.000 0.491 246 V N 1.303 121.199 119.914 -0.031 0.000 2.667 246 V HA 0.319 4.433 4.120 -0.009 0.000 0.308 246 V C 0.211 176.264 176.094 -0.069 0.000 1.048 246 V CA -0.536 61.738 62.300 -0.044 0.000 0.928 246 V CB 1.984 33.776 31.823 -0.052 0.000 1.004 246 V HN 0.583 nan 8.190 nan 0.000 0.444 247 D N 0.998 121.356 120.400 -0.070 0.000 2.320 247 D HA 0.211 4.846 4.640 -0.009 0.000 0.228 247 D C -0.131 176.084 176.300 -0.142 0.000 0.978 247 D CA 0.660 54.605 54.000 -0.092 0.000 0.905 247 D CB 0.315 41.094 40.800 -0.035 0.000 1.051 247 D HN 0.611 nan 8.370 nan 0.000 0.471 248 D N -2.154 118.144 120.400 -0.170 0.000 2.266 248 D HA 0.061 4.696 4.640 -0.009 0.000 0.174 248 D C -0.955 175.143 176.300 -0.336 0.000 1.096 248 D CA -0.721 53.029 54.000 -0.417 0.000 0.853 248 D CB 0.010 40.488 40.800 -0.537 0.000 3.128 248 D HN 0.111 nan 8.370 nan 0.000 0.484 249 F N 1.160 121.127 119.950 0.028 0.000 3.100 249 F HA -0.284 4.238 4.527 -0.009 0.000 0.284 249 F C 0.100 175.913 175.800 0.021 0.000 0.875 249 F CA 0.192 58.215 58.000 0.037 0.000 1.039 249 F CB -0.931 38.100 39.000 0.051 0.000 1.111 249 F HN 0.288 nan 8.300 nan 0.000 0.575 250 L N 0.416 121.698 121.223 0.099 0.000 2.628 250 L HA 0.521 4.856 4.340 -0.009 0.000 0.258 250 L C -0.267 176.618 176.870 0.025 0.000 1.027 250 L CA -0.336 54.537 54.840 0.055 0.000 0.910 250 L CB 1.258 43.339 42.059 0.036 0.000 1.157 250 L HN -0.040 nan 8.230 nan 0.000 0.452 251 S N 4.767 120.484 115.700 0.029 0.000 2.584 251 S HA 0.784 5.249 4.470 -0.009 0.000 0.273 251 S C -0.257 174.344 174.600 0.002 0.000 1.311 251 S CA -0.408 57.800 58.200 0.012 0.000 1.034 251 S CB 1.026 64.236 63.200 0.017 0.000 0.939 251 S HN 0.451 nan 8.310 nan 0.000 0.513 252 I N 1.603 122.171 120.570 -0.002 0.000 2.647 252 I HA 0.494 4.659 4.170 -0.009 0.000 0.295 252 I C 0.180 176.293 176.117 -0.006 0.000 1.078 252 I CA -0.414 60.881 61.300 -0.009 0.000 1.048 252 I CB 1.759 39.758 38.000 -0.001 0.000 1.239 252 I HN 0.597 nan 8.210 nan 0.000 0.421 253 S N 3.686 119.366 115.700 -0.034 0.000 2.715 253 S HA 0.907 5.372 4.470 -0.009 0.000 0.307 253 S C -1.229 173.347 174.600 -0.041 0.000 1.119 253 S CA -0.378 57.809 58.200 -0.023 0.000 0.937 253 S CB 1.995 65.096 63.200 -0.164 0.000 1.150 253 S HN 0.347 nan 8.310 nan 0.000 0.521 254 V N 2.908 122.810 119.914 -0.019 0.000 2.851 254 V HA 0.579 4.694 4.120 -0.009 0.000 0.307 254 V C -1.296 174.745 176.094 -0.089 0.000 1.129 254 V CA -0.889 61.377 62.300 -0.055 0.000 0.932 254 V CB 2.340 34.140 31.823 -0.039 0.000 1.024 254 V HN 0.938 nan 8.190 nan 0.000 0.426 255 N N 1.852 120.456 118.700 -0.159 0.000 2.380 255 N HA 0.823 5.558 4.740 -0.009 0.000 0.290 255 N C -1.359 173.883 175.510 -0.446 0.000 1.236 255 N CA -0.491 52.404 53.050 -0.259 0.000 0.780 255 N CB 2.452 40.800 38.487 -0.231 0.000 1.438 255 N HN 0.355 nan 8.380 nan 0.000 0.491 256 V N 1.199 120.739 119.914 -0.623 0.000 2.686 256 V HA 0.428 4.542 4.120 -0.009 0.000 0.306 256 V C -0.759 174.864 176.094 -0.784 0.000 1.065 256 V CA -0.664 61.200 62.300 -0.727 0.000 0.894 256 V CB 1.714 33.060 31.823 -0.794 0.000 1.004 256 V HN 0.667 nan 8.190 nan 0.000 0.424 257 H N 1.905 120.840 119.070 -0.226 0.000 2.869 257 H HA 0.465 5.015 4.556 -0.009 0.000 0.342 257 H C -0.693 174.551 175.328 -0.140 0.000 1.250 257 H CA -0.771 55.196 56.048 -0.135 0.000 1.217 257 H CB 1.379 31.097 29.762 -0.074 0.000 1.917 257 H HN 0.642 nan 8.280 nan 0.000 0.586 258 D N 1.069 121.517 120.400 0.079 0.000 2.697 258 D HA -0.180 4.455 4.640 -0.009 0.000 0.238 258 D C -0.105 176.213 176.300 0.029 0.000 1.152 258 D CA 1.278 55.303 54.000 0.041 0.000 0.666 258 D CB -1.383 39.435 40.800 0.031 0.000 1.037 258 D HN 0.787 nan 8.370 nan 0.000 0.423 259 E N -2.014 118.224 120.200 0.063 0.000 2.660 259 E HA -0.267 4.078 4.350 -0.009 0.000 0.260 259 E C 1.055 177.772 176.600 0.195 0.000 1.122 259 E CA 0.802 57.314 56.400 0.187 0.000 0.755 259 E CB -1.465 28.340 29.700 0.175 0.000 1.345 259 E HN 0.855 nan 8.360 nan 0.000 0.421 260 G N -0.309 108.336 108.800 -0.259 0.000 2.131 260 G HA2 -0.290 3.664 3.960 -0.009 0.000 0.223 260 G HA3 -0.290 3.664 3.960 -0.009 0.000 0.223 260 G C 0.450 175.239 174.900 -0.185 0.000 0.990 260 G CA 0.186 44.959 45.100 -0.545 0.000 0.671 260 G HN 0.276 nan 8.290 nan 0.000 0.521 261 N N -0.562 118.080 118.700 -0.096 0.000 2.422 261 N HA 0.178 4.913 4.740 -0.009 0.000 0.181 261 N C 0.402 175.885 175.510 -0.044 0.000 1.080 261 N CA 1.127 54.159 53.050 -0.030 0.000 0.893 261 N CB 0.599 39.092 38.487 0.011 0.000 0.973 261 N HN 0.405 nan 8.380 nan 0.000 0.456 262 V N 1.504 121.368 119.914 -0.083 0.000 2.709 262 V HA 0.370 4.485 4.120 -0.009 0.000 0.308 262 V C -0.673 175.351 176.094 -0.118 0.000 1.062 262 V CA -1.021 61.255 62.300 -0.040 0.000 0.901 262 V CB 2.598 34.461 31.823 0.066 0.000 1.003 262 V HN -0.111 nan 8.190 nan 0.000 0.425 263 L N 3.400 124.568 121.223 -0.091 0.000 2.296 263 L HA 0.616 4.951 4.340 -0.009 0.000 0.286 263 L C -0.068 176.770 176.870 -0.053 0.000 1.023 263 L CA 0.187 54.951 54.840 -0.127 0.000 0.812 263 L CB 1.434 43.427 42.059 -0.111 0.000 1.223 263 L HN 0.857 nan 8.230 nan 0.000 0.421 264 E N 5.195 125.355 120.200 -0.068 0.000 2.102 264 E HA 0.444 4.788 4.350 -0.009 0.000 0.263 264 E C -1.102 175.476 176.600 -0.038 0.000 0.894 264 E CA -0.859 55.544 56.400 0.004 0.000 0.746 264 E CB 1.177 30.959 29.700 0.137 0.000 1.129 264 E HN 0.579 nan 8.360 nan 0.000 0.416 265 V N 1.807 121.704 119.914 -0.029 0.000 2.686 265 V HA 0.515 4.629 4.120 -0.009 0.000 0.295 265 V C -0.096 175.972 176.094 -0.043 0.000 1.057 265 V CA -0.647 61.631 62.300 -0.036 0.000 1.012 265 V CB 1.430 33.241 31.823 -0.020 0.000 1.006 265 V HN 0.365 nan 8.190 nan 0.000 0.477 266 V N 4.047 123.922 119.914 -0.065 0.000 2.444 266 V HA 0.787 4.901 4.120 -0.009 0.000 0.294 266 V C 0.821 176.875 176.094 -0.068 0.000 1.022 266 V CA 0.338 62.588 62.300 -0.083 0.000 0.850 266 V CB 1.042 32.770 31.823 -0.158 0.000 0.992 266 V HN 1.282 nan 8.190 nan 0.000 0.426 270 S N 2.611 118.465 115.700 0.256 0.000 2.288 270 S HA 0.207 4.672 4.470 -0.009 0.000 0.214 270 S C -2.388 172.290 174.600 0.131 0.000 0.720 270 S CA -0.594 57.719 58.200 0.189 0.000 0.934 270 S CB 1.082 64.384 63.200 0.170 0.000 1.349 270 S HN 0.273 nan 8.310 nan 0.000 0.382 271 P HA -0.210 nan 4.420 nan 0.000 0.215 271 P C 1.567 179.025 177.300 0.263 0.000 1.157 271 P CA 1.109 64.305 63.100 0.159 0.000 0.874 271 P CB -0.077 31.749 31.700 0.209 0.000 0.790 272 H N -0.182 118.999 119.070 0.185 0.000 2.292 272 H HA -0.171 4.380 4.556 -0.009 0.000 0.292 272 H C 2.019 177.439 175.328 0.152 0.000 1.100 272 H CA 2.345 58.508 56.048 0.192 0.000 1.238 272 H CB -0.890 28.968 29.762 0.160 0.000 1.355 272 H HN 0.099 nan 8.280 nan 0.000 0.484 273 G N -1.183 107.717 108.800 0.168 0.000 2.470 273 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.220 273 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.220 273 G C 1.721 176.612 174.900 -0.015 0.000 1.121 273 G CA 1.185 46.320 45.100 0.058 0.000 0.766 273 G HN 0.421 nan 8.290 nan 0.000 0.553 274 T N 0.184 114.711 114.554 -0.044 0.000 2.770 274 T HA 0.005 4.350 4.350 -0.009 0.000 0.258 274 T C 2.041 176.646 174.700 -0.159 0.000 1.039 274 T CA 1.265 63.285 62.100 -0.134 0.000 1.143 274 T CB -0.317 68.415 68.868 -0.227 0.000 0.866 274 T HN 0.480 nan 8.240 nan 0.000 0.428 275 H N 0.537 119.573 119.070 -0.058 0.000 2.387 275 H HA -0.001 4.550 4.556 -0.009 0.000 0.299 275 H C 2.269 177.545 175.328 -0.087 0.000 1.099 275 H CA 1.089 57.097 56.048 -0.067 0.000 1.315 275 H CB -0.574 29.139 29.762 -0.082 0.000 1.380 275 H HN 0.077 nan 8.280 nan 0.000 0.513 276 V N 0.126 120.024 119.914 -0.026 0.000 2.332 276 V HA -0.273 3.841 4.120 -0.009 0.000 0.248 276 V C 2.086 178.167 176.094 -0.021 0.000 1.055 276 V CA 2.229 64.496 62.300 -0.056 0.000 1.038 276 V CB -0.391 31.373 31.823 -0.098 0.000 0.651 276 V HN 0.456 nan 8.190 nan 0.000 0.450 277 S N -1.091 114.594 115.700 -0.025 0.000 2.461 277 S HA -0.107 4.357 4.470 -0.009 0.000 0.228 277 S C 2.056 176.647 174.600 -0.014 0.000 1.005 277 S CA 1.202 59.389 58.200 -0.022 0.000 0.942 277 S CB -0.075 63.108 63.200 -0.027 0.000 0.776 277 S HN 0.548 nan 8.310 nan 0.000 0.514 278 S N 0.665 116.362 115.700 -0.005 0.000 2.461 278 S HA 0.095 4.559 4.470 -0.009 0.000 0.228 278 S C 1.520 176.139 174.600 0.032 0.000 1.005 278 S CA 0.397 58.612 58.200 0.025 0.000 0.942 278 S CB -0.156 63.065 63.200 0.034 0.000 0.776 278 S HN 0.302 nan 8.310 nan 0.000 0.514 279 I N 1.383 121.963 120.570 0.017 0.000 2.494 279 I HA 0.210 4.374 4.170 -0.009 0.000 0.250 279 I C 2.474 178.570 176.117 -0.036 0.000 1.112 279 I CA 0.900 62.202 61.300 0.003 0.000 1.438 279 I CB -0.841 37.176 38.000 0.028 0.000 1.111 279 I HN 0.254 nan 8.210 nan 0.000 0.431 280 A N -0.924 121.880 122.820 -0.027 0.000 1.845 280 A HA -0.062 4.253 4.320 -0.009 0.000 0.215 280 A C 1.783 179.337 177.584 -0.050 0.000 1.195 280 A CA 1.885 53.896 52.037 -0.044 0.000 0.616 280 A CB -0.665 18.318 19.000 -0.029 0.000 0.832 280 A HN 0.386 nan 8.150 nan 0.000 0.443 281 S N -3.232 112.450 115.700 -0.030 0.000 2.806 281 S HA 0.605 5.070 4.470 -0.009 0.000 0.315 281 S C -0.319 174.278 174.600 -0.004 0.000 1.127 281 S CA 0.144 58.329 58.200 -0.025 0.000 0.918 281 S CB 1.746 64.930 63.200 -0.027 0.000 1.240 281 S HN 1.776 nan 8.310 nan 0.000 0.552 282 G N 2.251 111.049 108.800 -0.004 0.000 2.681 282 G HA2 -0.006 3.949 3.960 -0.009 0.000 0.232 282 G HA3 -0.006 3.949 3.960 -0.009 0.000 0.232 282 G C -0.841 174.057 174.900 -0.003 0.000 3.566 282 G CA -0.829 44.275 45.100 0.007 0.000 0.726 282 G HN 0.732 nan 8.290 nan 0.000 0.465 283 N N 0.552 119.192 118.700 -0.099 0.000 2.406 283 N HA 0.121 4.856 4.740 -0.009 0.000 0.274 283 N C 0.746 176.129 175.510 -0.211 0.000 1.249 283 N CA 0.108 53.101 53.050 -0.094 0.000 0.951 283 N CB 0.370 38.807 38.487 -0.084 0.000 1.241 283 N HN 0.600 nan 8.380 nan 0.000 0.485 284 H N 1.003 120.059 119.070 -0.023 0.000 2.874 284 H HA 0.196 4.746 4.556 -0.009 0.000 0.264 284 H C -0.039 175.278 175.328 -0.019 0.000 1.007 284 H CA 0.040 56.076 56.048 -0.020 0.000 1.207 284 H CB 0.691 30.441 29.762 -0.020 0.000 1.487 284 H HN 0.491 nan 8.280 nan 0.000 0.505 285 S N 0.288 116.034 115.700 0.077 0.000 3.667 285 S HA -0.176 4.288 4.470 -0.009 0.000 0.405 285 S C 0.784 175.407 174.600 0.038 0.000 0.913 285 S CA 0.706 58.928 58.200 0.037 0.000 1.288 285 S CB -1.667 61.542 63.200 0.016 0.000 0.905 285 S HN 0.763 nan 8.310 nan 0.000 0.550 286 S N -0.754 114.966 115.700 0.034 0.000 2.506 286 S HA 0.234 4.699 4.470 -0.009 0.000 0.255 286 S C 0.262 174.857 174.600 -0.009 0.000 0.976 286 S CA 0.134 58.341 58.200 0.011 0.000 1.493 286 S CB 0.089 63.296 63.200 0.013 0.000 1.241 286 S HN 0.541 nan 8.310 nan 0.000 0.655 287 R N 0.681 121.176 120.500 -0.008 0.000 3.387 287 R HA -0.201 4.133 4.340 -0.009 0.000 0.254 287 R C -0.160 176.115 176.300 -0.041 0.000 1.006 287 R CA 1.224 57.306 56.100 -0.029 0.000 0.677 287 R CB -1.454 28.821 30.300 -0.041 0.000 1.063 287 R HN 0.597 nan 8.270 nan 0.000 0.453 288 D N -1.893 118.480 120.400 -0.044 0.000 2.409 288 D HA 0.114 4.748 4.640 -0.009 0.000 0.301 288 D C 1.077 177.326 176.300 -0.084 0.000 1.095 288 D CA 0.629 54.595 54.000 -0.057 0.000 0.929 288 D CB 0.721 41.490 40.800 -0.052 0.000 1.623 288 D HN 0.059 nan 8.370 nan 0.000 0.506 289 V N 0.790 120.627 119.914 -0.128 0.000 3.502 289 V HA 0.234 4.349 4.120 -0.009 0.000 0.288 289 V C -0.179 175.803 176.094 -0.187 0.000 1.461 289 V CA -0.251 61.914 62.300 -0.225 0.000 1.029 289 V CB 0.430 31.994 31.823 -0.433 0.000 0.843 289 V HN -0.045 nan 8.190 nan 0.000 0.438 290 D N 1.762 122.135 120.400 -0.044 0.000 2.364 290 D HA 0.333 4.968 4.640 -0.009 0.000 0.236 290 D C 1.074 177.393 176.300 0.030 0.000 1.221 290 D CA 1.281 55.332 54.000 0.086 0.000 0.891 290 D CB 0.477 41.308 40.800 0.052 0.000 1.190 290 D HN 0.273 nan 8.370 nan 0.000 0.449 291 G N -0.786 108.040 108.800 0.044 0.000 2.468 291 G HA2 0.192 4.147 3.960 -0.009 0.000 0.264 291 G HA3 0.192 4.147 3.960 -0.009 0.000 0.264 291 G C 0.874 175.729 174.900 -0.077 0.000 1.460 291 G CA -0.479 44.609 45.100 -0.019 0.000 1.060 291 G HN 0.342 nan 8.290 nan 0.000 0.543 292 V N -0.077 119.762 119.914 -0.125 0.000 3.354 292 V HA 0.431 4.545 4.120 -0.009 0.000 0.258 292 V C 1.242 177.274 176.094 -0.102 0.000 1.159 292 V CA 1.232 63.429 62.300 -0.171 0.000 1.125 292 V CB 0.056 31.703 31.823 -0.292 0.000 0.774 292 V HN 0.905 nan 8.190 nan 0.000 0.464 293 A N -0.019 122.758 122.820 -0.071 0.000 3.158 293 A HA 0.609 4.924 4.320 -0.009 0.000 0.302 293 A C -2.204 175.359 177.584 -0.035 0.000 1.162 293 A CA -0.654 51.353 52.037 -0.049 0.000 0.824 293 A CB 0.632 19.602 19.000 -0.050 0.000 1.322 293 A HN 0.185 nan 8.150 nan 0.000 0.510 294 P HA -0.121 nan 4.420 nan 0.000 0.222 294 P C 1.094 178.380 177.300 -0.025 0.000 1.147 294 P CA 1.233 64.320 63.100 -0.022 0.000 0.790 294 P CB 0.126 31.819 31.700 -0.012 0.000 0.780 295 N N -0.835 117.852 118.700 -0.022 0.000 2.463 295 N HA 0.054 4.789 4.740 -0.009 0.000 0.181 295 N C 0.282 175.778 175.510 -0.023 0.000 1.078 295 N CA -0.248 52.789 53.050 -0.022 0.000 0.902 295 N CB -0.036 38.440 38.487 -0.018 0.000 0.970 295 N HN -0.010 nan 8.380 nan 0.000 0.451 296 A N 1.260 124.065 122.820 -0.025 0.000 2.425 296 A HA 0.207 4.522 4.320 -0.009 0.000 0.249 296 A C -0.259 177.314 177.584 -0.019 0.000 1.084 296 A CA 0.083 52.106 52.037 -0.024 0.000 0.781 296 A CB 0.383 19.365 19.000 -0.029 0.000 1.019 296 A HN 0.255 nan 8.150 nan 0.000 0.490 297 K N 1.137 121.530 120.400 -0.011 0.000 2.130 297 K HA 0.545 4.859 4.320 -0.009 0.000 0.268 297 K C -1.131 175.470 176.600 0.002 0.000 0.983 297 K CA -0.289 55.996 56.287 -0.003 0.000 0.893 297 K CB 1.328 33.831 32.500 0.005 0.000 1.066 297 K HN 0.516 nan 8.250 nan 0.000 0.450 298 I N 1.842 122.417 120.570 0.008 0.000 2.562 298 I HA 0.206 4.371 4.170 -0.009 0.000 0.301 298 I C -0.788 175.349 176.117 0.033 0.000 1.003 298 I CA -0.709 60.598 61.300 0.012 0.000 1.127 298 I CB 2.085 40.086 38.000 0.000 0.000 1.304 298 I HN 0.333 nan 8.210 nan 0.000 0.446 299 V N 2.486 122.427 119.914 0.046 0.000 2.385 299 V HA 0.559 4.674 4.120 -0.009 0.000 0.277 299 V C 0.107 176.247 176.094 0.078 0.000 1.012 299 V CA -0.584 61.762 62.300 0.077 0.000 0.832 299 V CB 0.578 32.479 31.823 0.129 0.000 1.028 299 V HN 0.724 nan 8.190 nan 0.000 0.436 303 I N -0.567 119.903 120.570 -0.167 0.000 3.956 303 I HA 0.551 4.716 4.170 -0.009 0.000 0.333 303 I C 0.882 177.024 176.117 0.042 0.000 1.302 303 I CA -0.424 60.820 61.300 -0.094 0.000 1.122 303 I CB 0.215 38.173 38.000 -0.069 0.000 1.013 303 I HN 0.584 nan 8.210 nan 0.000 0.405 304 G N 1.496 110.322 108.800 0.043 0.000 2.356 304 G HA2 0.199 4.154 3.960 -0.009 0.000 0.298 304 G HA3 0.199 4.154 3.960 -0.009 0.000 0.298 304 G C -1.345 173.595 174.900 0.066 0.000 1.145 304 G CA -0.222 44.975 45.100 0.160 0.000 0.850 304 G HN 0.211 nan 8.290 nan 0.000 0.487 305 D N 1.670 122.100 120.400 0.051 0.000 2.317 305 D HA 0.246 4.880 4.640 -0.009 0.000 0.234 305 D C 1.520 177.816 176.300 -0.006 0.000 1.112 305 D CA -0.194 53.807 54.000 0.003 0.000 0.840 305 D CB 1.555 42.342 40.800 -0.022 0.000 1.078 305 D HN 0.345 nan 8.370 nan 0.000 0.486 306 G N 3.965 112.757 108.800 -0.014 0.000 2.462 306 G HA2 -0.274 3.680 3.960 -0.009 0.000 0.220 306 G HA3 -0.274 3.680 3.960 -0.009 0.000 0.220 306 G C 1.540 176.411 174.900 -0.047 0.000 1.121 306 G CA 0.454 45.542 45.100 -0.019 0.000 0.758 306 G HN 0.509 nan 8.290 nan 0.000 0.559 307 R N -0.883 119.572 120.500 -0.075 0.000 2.092 307 R HA 0.051 4.386 4.340 -0.009 0.000 0.231 307 R C 1.999 178.220 176.300 -0.131 0.000 1.119 307 R CA 0.613 56.642 56.100 -0.120 0.000 0.970 307 R CB -0.231 29.973 30.300 -0.160 0.000 0.864 307 R HN 0.246 nan 8.270 nan 0.000 0.440 308 L N -0.233 120.926 121.223 -0.107 0.000 2.509 308 L HA 0.190 4.525 4.340 -0.009 0.000 0.222 308 L C 0.798 177.637 176.870 -0.051 0.000 1.123 308 L CA 0.671 55.452 54.840 -0.099 0.000 0.856 308 L CB -0.868 41.140 42.059 -0.084 0.000 0.985 308 L HN 0.278 nan 8.230 nan 0.000 0.456 309 G N 1.136 109.918 108.800 -0.029 0.000 2.137 309 G HA2 -0.177 3.778 3.960 -0.009 0.000 0.241 309 G HA3 -0.177 3.778 3.960 -0.009 0.000 0.241 309 G C 0.380 175.289 174.900 0.015 0.000 0.689 309 G CA 0.781 45.883 45.100 0.003 0.000 1.099 309 G HN 0.548 nan 8.290 nan 0.000 0.332 313 T N 0.993 115.551 114.554 0.005 0.000 2.841 313 T HA 0.439 4.783 4.350 -0.009 0.000 0.283 313 T C 1.204 175.865 174.700 -0.066 0.000 1.000 313 T CA -0.237 61.835 62.100 -0.047 0.000 0.977 313 T CB 1.621 70.470 68.868 -0.031 0.000 0.979 313 T HN 0.696 nan 8.240 nan 0.000 0.446 314 G N 2.122 110.859 108.800 -0.104 0.000 2.574 314 G HA2 -0.341 3.614 3.960 -0.009 0.000 0.220 314 G HA3 -0.341 3.614 3.960 -0.009 0.000 0.220 314 G C 1.827 176.705 174.900 -0.037 0.000 1.173 314 G CA 2.130 47.179 45.100 -0.085 0.000 0.772 314 G HN 0.846 nan 8.290 nan 0.000 0.585 315 T N -0.020 114.513 114.554 -0.035 0.000 2.635 315 T HA -0.036 4.309 4.350 -0.009 0.000 0.267 315 T C 2.575 177.248 174.700 -0.045 0.000 1.040 315 T CA 2.586 64.666 62.100 -0.034 0.000 1.156 315 T CB -0.775 68.077 68.868 -0.028 0.000 0.863 315 T HN 0.670 nan 8.240 nan 0.000 0.430 316 A N 1.966 124.760 122.820 -0.043 0.000 1.884 316 A HA -0.030 4.285 4.320 -0.009 0.000 0.219 316 A C 2.462 179.994 177.584 -0.087 0.000 1.197 316 A CA 2.115 54.113 52.037 -0.065 0.000 0.637 316 A CB -1.193 17.785 19.000 -0.036 0.000 0.827 316 A HN 0.487 nan 8.150 nan 0.000 0.450 317 L N -0.563 120.650 121.223 -0.017 0.000 2.017 317 L HA -0.156 4.179 4.340 -0.009 0.000 0.208 317 L C 2.619 179.509 176.870 0.033 0.000 1.073 317 L CA 1.613 56.484 54.840 0.052 0.000 0.745 317 L CB -0.795 41.381 42.059 0.195 0.000 0.894 317 L HN 0.222 nan 8.230 nan 0.000 0.432 318 V N -0.567 119.356 119.914 0.015 0.000 2.332 318 V HA -0.326 3.789 4.120 -0.009 0.000 0.248 318 V C 2.664 178.723 176.094 -0.057 0.000 1.055 318 V CA 1.783 64.083 62.300 -0.001 0.000 1.038 318 V CB -0.638 31.175 31.823 -0.018 0.000 0.651 318 V HN 0.422 nan 8.190 nan 0.000 0.450 319 R N -0.012 120.426 120.500 -0.104 0.000 2.075 319 R HA 0.067 4.401 4.340 -0.009 0.000 0.232 319 R C 1.459 177.619 176.300 -0.234 0.000 1.126 319 R CA 0.885 56.888 56.100 -0.163 0.000 0.963 319 R CB -0.419 29.778 30.300 -0.171 0.000 0.858 319 R HN 0.539 nan 8.270 nan 0.000 0.435 323 K N 2.442 122.708 120.400 -0.224 0.000 1.991 323 K HA 0.074 4.389 4.320 -0.009 0.000 0.212 323 K C 1.069 177.557 176.600 -0.187 0.000 1.049 323 K CA 1.302 57.429 56.287 -0.267 0.000 0.932 323 K CB -0.822 31.379 32.500 -0.499 0.000 0.717 323 K HN 0.235 nan 8.250 nan 0.000 0.441 327 L N 1.455 122.678 121.223 0.001 0.000 2.042 327 L HA -0.194 4.141 4.340 -0.009 0.000 0.210 327 L C 2.446 179.353 176.870 0.062 0.000 1.076 327 L CA 1.481 56.343 54.840 0.036 0.000 0.749 327 L CB -0.543 41.536 42.059 0.033 0.000 0.893 327 L HN 0.357 nan 8.230 nan 0.000 0.432 328 C N 0.113 119.459 119.300 0.077 0.000 2.413 328 C HA -0.186 4.269 4.460 -0.009 0.000 0.277 328 C C 2.960 178.045 174.990 0.157 0.000 1.228 328 C CA 1.239 60.342 59.018 0.141 0.000 1.731 328 C CB -1.098 26.791 27.740 0.248 0.000 2.042 328 C HN 0.578 nan 8.230 nan 0.000 0.468 329 R N 0.946 121.565 120.500 0.198 0.000 2.159 329 R HA -0.114 4.221 4.340 -0.009 0.000 0.237 329 R C 0.092 176.448 176.300 0.094 0.000 1.131 329 R CA 1.984 58.181 56.100 0.161 0.000 0.982 329 R CB -0.517 29.893 30.300 0.182 0.000 0.868 329 R HN 0.447 nan 8.270 nan 0.000 0.453 330 D N 0.140 120.590 120.400 0.082 0.000 3.058 330 D HA 0.184 4.818 4.640 -0.009 0.000 0.272 330 D C 0.667 177.000 176.300 0.055 0.000 1.350 330 D CA 0.550 54.587 54.000 0.062 0.000 0.863 330 D CB 0.843 41.678 40.800 0.058 0.000 1.064 330 D HN 0.504 nan 8.370 nan 0.000 0.488 331 G N 1.712 110.545 108.800 0.055 0.000 2.435 331 G HA2 -0.377 3.577 3.960 -0.009 0.000 0.245 331 G HA3 -0.377 3.577 3.960 -0.009 0.000 0.245 331 G C 0.887 175.816 174.900 0.047 0.000 1.073 331 G CA -0.273 44.854 45.100 0.045 0.000 0.638 331 G HN 0.408 nan 8.290 nan 0.000 0.521 332 R N 1.562 122.093 120.500 0.052 0.000 4.138 332 R HA 0.271 4.606 4.340 -0.009 0.000 0.206 332 R C 0.675 177.009 176.300 0.056 0.000 1.667 332 R CA -0.434 55.697 56.100 0.051 0.000 1.481 332 R CB 0.071 30.404 30.300 0.054 0.000 1.388 332 R HN 0.311 nan 8.270 nan 0.000 0.776 333 R N 1.637 122.171 120.500 0.058 0.000 2.585 333 R HA -0.013 4.322 4.340 -0.009 0.000 0.275 333 R C 0.365 176.696 176.300 0.052 0.000 1.018 333 R CA 0.217 56.357 56.100 0.066 0.000 1.072 333 R CB 0.325 30.665 30.300 0.067 0.000 0.953 333 R HN 0.330 nan 8.270 nan 0.000 0.419 334 I N 0.705 121.303 120.570 0.047 0.000 2.354 334 I HA 0.228 4.393 4.170 -0.009 0.000 0.292 334 I C -0.130 175.999 176.117 0.020 0.000 0.989 334 I CA -0.095 61.218 61.300 0.022 0.000 1.188 334 I CB 1.723 39.725 38.000 0.003 0.000 1.342 334 I HN 0.435 nan 8.210 nan 0.000 0.457 335 D N 4.850 125.259 120.400 0.014 0.000 2.301 335 D HA 0.174 4.809 4.640 -0.009 0.000 0.206 335 D C 0.159 176.457 176.300 -0.005 0.000 0.979 335 D CA 0.950 54.970 54.000 0.032 0.000 0.874 335 D CB 0.562 41.391 40.800 0.048 0.000 0.968 335 D HN 0.377 nan 8.370 nan 0.000 0.510 336 V N 1.155 121.036 119.914 -0.056 0.000 2.841 336 V HA 0.420 4.535 4.120 -0.009 0.000 0.310 336 V C -0.343 175.618 176.094 -0.221 0.000 1.090 336 V CA -0.857 61.380 62.300 -0.104 0.000 0.930 336 V CB 2.983 34.763 31.823 -0.072 0.000 1.014 336 V HN -0.130 nan 8.190 nan 0.000 0.425 337 I N 3.313 123.662 120.570 -0.369 0.000 2.693 337 I HA 0.560 4.725 4.170 -0.009 0.000 0.303 337 I C -0.259 175.549 176.117 -0.515 0.000 1.025 337 I CA -0.492 60.392 61.300 -0.692 0.000 1.086 337 I CB 2.226 39.348 38.000 -1.464 0.000 1.268 337 I HN 0.681 nan 8.210 nan 0.000 0.440 341 Y N 0.251 120.667 120.300 0.194 0.000 2.544 341 Y HA 0.689 5.234 4.550 -0.008 0.000 0.342 341 Y C 0.183 176.178 175.900 0.158 0.000 1.062 341 Y CA 0.091 58.289 58.100 0.164 0.000 1.023 341 Y CB 2.121 40.707 38.460 0.210 0.000 1.308 341 Y HN 0.411 nan 8.280 nan 0.000 0.457 342 G N 2.837 111.663 108.800 0.043 0.000 2.347 342 G HA2 0.300 4.255 3.960 -0.009 0.000 0.321 342 G HA3 0.300 4.255 3.960 -0.009 0.000 0.321 342 G C -1.964 172.948 174.900 0.020 0.000 1.412 342 G CA -0.916 44.241 45.100 0.095 0.000 0.990 342 G HN 0.397 nan 8.290 nan 0.000 0.637 343 E N -0.922 119.330 120.200 0.086 0.000 2.469 343 E HA 0.596 4.941 4.350 -0.009 0.000 0.237 343 E C -0.696 175.825 176.600 -0.132 0.000 0.840 343 E CA -0.656 55.789 56.400 0.074 0.000 0.894 343 E CB 0.904 30.748 29.700 0.239 0.000 1.681 343 E HN 0.574 nan 8.360 nan 0.000 0.401 344 H N -0.913 118.140 119.070 -0.028 0.000 2.595 344 H HA 0.727 5.278 4.556 -0.009 0.000 0.346 344 H C -0.497 174.808 175.328 -0.038 0.000 1.181 344 H CA -0.470 55.529 56.048 -0.081 0.000 1.242 344 H CB 1.624 31.302 29.762 -0.139 0.000 1.652 344 H HN 0.501 nan 8.280 nan 0.000 0.548 345 A N 0.264 123.102 122.820 0.030 0.000 2.435 345 A HA 0.357 4.671 4.320 -0.009 0.000 0.296 345 A C 0.152 177.648 177.584 -0.147 0.000 1.147 345 A CA -0.813 51.173 52.037 -0.084 0.000 0.775 345 A CB 1.080 20.001 19.000 -0.131 0.000 1.340 345 A HN 0.901 nan 8.150 nan 0.000 0.427 346 N N -1.013 117.449 118.700 -0.396 0.000 2.299 346 N HA 0.134 4.869 4.740 -0.009 0.000 0.187 346 N C -0.843 174.621 175.510 -0.077 0.000 1.099 346 N CA 0.676 53.527 53.050 -0.332 0.000 0.867 346 N CB 0.329 38.491 38.487 -0.542 0.000 0.974 346 N HN 0.719 nan 8.380 nan 0.000 0.477 347 W N -1.865 119.477 121.300 0.071 0.000 2.989 347 W HA 0.458 5.112 4.660 -0.010 0.000 0.344 347 W C -0.125 176.418 176.519 0.041 0.000 1.233 347 W CA -0.773 56.604 57.345 0.054 0.000 1.187 347 W CB 0.266 29.756 29.460 0.050 0.000 1.443 347 W HN -0.413 nan 8.180 nan 0.000 0.573 348 S N -0.298 115.597 115.700 0.326 0.000 2.613 348 S HA -0.054 4.411 4.470 -0.009 0.000 0.235 348 S C 1.207 175.920 174.600 0.188 0.000 1.073 348 S CA 0.510 58.821 58.200 0.186 0.000 0.899 348 S CB -0.284 62.976 63.200 0.101 0.000 0.818 348 S HN 0.658 nan 8.310 nan 0.000 0.484 349 N N 1.265 120.076 118.700 0.185 0.000 2.519 349 N HA 0.030 4.764 4.740 -0.009 0.000 0.186 349 N C 0.413 175.973 175.510 0.082 0.000 1.062 349 N CA 0.633 53.738 53.050 0.092 0.000 0.910 349 N CB 0.136 38.643 38.487 0.033 0.000 0.958 349 N HN 0.161 nan 8.380 nan 0.000 0.445 350 S N -1.606 114.209 115.700 0.192 0.000 2.588 350 S HA 0.765 5.229 4.470 -0.009 0.000 0.275 350 S C -1.065 173.717 174.600 0.305 0.000 1.130 350 S CA -0.099 58.204 58.200 0.172 0.000 0.855 350 S CB 1.628 64.838 63.200 0.016 0.000 1.116 350 S HN 0.584 nan 8.310 nan 0.000 0.472 351 G N 2.112 111.041 108.800 0.214 0.000 2.277 351 G HA2 0.171 4.125 3.960 -0.009 0.000 0.272 351 G HA3 0.171 4.125 3.960 -0.009 0.000 0.272 351 G C -0.322 174.657 174.900 0.131 0.000 1.692 351 G CA -0.352 44.874 45.100 0.209 0.000 0.926 351 G HN 0.704 nan 8.290 nan 0.000 0.720 352 R N 1.145 121.716 120.500 0.118 0.000 2.066 352 R HA 0.136 4.471 4.340 -0.009 0.000 0.224 352 R C 2.423 178.765 176.300 0.070 0.000 1.122 352 R CA 1.106 57.246 56.100 0.068 0.000 0.974 352 R CB -0.198 30.121 30.300 0.031 0.000 0.871 352 R HN 0.507 nan 8.270 nan 0.000 0.435 353 I N 0.711 121.344 120.570 0.104 0.000 2.151 353 I HA -0.192 3.972 4.170 -0.009 0.000 0.243 353 I C 2.397 178.584 176.117 0.116 0.000 1.080 353 I CA 1.954 63.332 61.300 0.130 0.000 1.339 353 I CB -0.781 37.337 38.000 0.197 0.000 1.039 353 I HN 0.349 nan 8.210 nan 0.000 0.409 354 G N -0.763 108.100 108.800 0.105 0.000 2.418 354 G HA2 -0.268 3.687 3.960 -0.009 0.000 0.217 354 G HA3 -0.268 3.687 3.960 -0.009 0.000 0.217 354 G C 1.633 176.543 174.900 0.017 0.000 1.158 354 G CA 0.713 45.830 45.100 0.028 0.000 0.771 354 G HN 0.323 nan 8.290 nan 0.000 0.545 355 E N -0.365 119.861 120.200 0.045 0.000 2.204 355 E HA 0.085 4.430 4.350 -0.009 0.000 0.194 355 E C 1.531 178.159 176.600 0.046 0.000 0.989 355 E CA -0.074 56.350 56.400 0.039 0.000 0.824 355 E CB -0.157 29.567 29.700 0.041 0.000 0.756 355 E HN 0.381 nan 8.360 nan 0.000 0.477 359 E N 0.999 121.272 120.200 0.121 0.000 2.251 359 E HA 0.026 4.371 4.350 -0.009 0.000 0.194 359 E C 1.488 178.241 176.600 0.255 0.000 0.964 359 E CA 0.796 57.288 56.400 0.155 0.000 0.868 359 E CB 0.611 30.397 29.700 0.143 0.000 0.828 359 E HN 0.094 nan 8.360 nan 0.000 0.481 360 V N -1.230 118.831 119.914 0.244 0.000 3.380 360 V HA 0.019 4.134 4.120 -0.009 0.000 0.268 360 V C 1.594 177.860 176.094 0.287 0.000 1.168 360 V CA 0.616 63.077 62.300 0.269 0.000 1.156 360 V CB 0.536 32.497 31.823 0.229 0.000 0.785 360 V HN 0.086 nan 8.190 nan 0.000 0.487 361 V N 0.826 120.882 119.914 0.236 0.000 3.212 361 V HA 0.167 4.282 4.120 -0.009 0.000 0.244 361 V C 2.133 178.289 176.094 0.103 0.000 1.151 361 V CA 1.364 63.771 62.300 0.179 0.000 1.119 361 V CB -0.202 31.722 31.823 0.167 0.000 0.838 361 V HN 0.507 nan 8.190 nan 0.000 0.470 362 N N 0.246 119.006 118.700 0.099 0.000 2.402 362 N HA -0.013 4.722 4.740 -0.009 0.000 0.174 362 N C 1.647 177.014 175.510 -0.237 0.000 1.027 362 N CA 0.800 53.856 53.050 0.009 0.000 0.891 362 N CB 0.082 38.616 38.487 0.078 0.000 1.016 362 N HN 0.426 nan 8.380 nan 0.000 0.439 363 K N -0.668 119.670 120.400 -0.104 0.000 2.244 363 K HA 0.112 4.427 4.320 -0.009 0.000 0.200 363 K C 0.323 176.719 176.600 -0.340 0.000 1.052 363 K CA 0.449 56.571 56.287 -0.275 0.000 0.980 363 K CB 0.179 32.561 32.500 -0.197 0.000 0.838 363 K HN 0.089 nan 8.250 nan 0.000 0.481 364 Y N 0.165 120.470 120.300 0.009 0.000 2.555 364 Y HA 0.279 4.823 4.550 -0.009 0.000 0.259 364 Y C 0.823 176.791 175.900 0.114 0.000 1.179 364 Y CA -0.024 58.113 58.100 0.063 0.000 1.230 364 Y CB 1.119 39.611 38.460 0.054 0.000 1.146 364 Y HN 0.236 nan 8.280 nan 0.000 0.526 365 G N 1.357 110.323 108.800 0.276 0.000 2.416 365 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.301 365 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.301 365 G C -0.124 174.874 174.900 0.163 0.000 0.985 365 G CA 0.438 45.706 45.100 0.280 0.000 0.934 365 G HN 0.177 nan 8.290 nan 0.000 0.513 366 V N 0.105 120.116 119.914 0.162 0.000 2.432 366 V HA 0.329 4.443 4.120 -0.009 0.000 0.275 366 V C 0.958 177.114 176.094 0.103 0.000 1.043 366 V CA -0.778 61.588 62.300 0.109 0.000 0.925 366 V CB 1.853 33.719 31.823 0.073 0.000 0.985 366 V HN 0.179 nan 8.190 nan 0.000 0.466 367 V N 5.333 125.288 119.914 0.069 0.000 2.415 367 V HA 0.106 4.221 4.120 -0.009 0.000 0.267 367 V C -0.164 175.985 176.094 0.091 0.000 1.042 367 V CA -0.278 62.067 62.300 0.075 0.000 1.000 367 V CB 0.441 32.287 31.823 0.039 0.000 1.015 367 V HN 0.863 nan 8.190 nan 0.000 0.478 368 W N 6.720 127.993 121.300 -0.043 0.000 2.308 368 W HA 0.541 5.196 4.660 -0.008 0.000 0.311 368 W C -0.789 175.699 176.519 -0.051 0.000 1.088 368 W CA -0.806 56.495 57.345 -0.074 0.000 1.309 368 W CB 1.431 30.850 29.460 -0.069 0.000 1.229 368 W HN 0.308 nan 8.180 nan 0.000 0.427 369 V N 6.092 126.171 119.914 0.275 0.000 2.481 369 V HA 0.795 4.910 4.120 -0.009 0.000 0.286 369 V C 0.185 176.461 176.094 0.303 0.000 1.042 369 V CA -0.623 61.810 62.300 0.223 0.000 0.928 369 V CB 0.836 32.716 31.823 0.096 0.000 0.986 369 V HN 0.591 nan 8.190 nan 0.000 0.462 370 A N 3.076 126.033 122.820 0.229 0.000 2.547 370 A HA 0.743 5.057 4.320 -0.009 0.000 0.297 370 A C -0.174 177.487 177.584 0.128 0.000 1.056 370 A CA -0.358 51.803 52.037 0.206 0.000 0.688 370 A CB 1.772 20.885 19.000 0.188 0.000 1.282 370 A HN 1.089 nan 8.150 nan 0.000 0.400 371 S N 1.369 117.148 115.700 0.132 0.000 2.549 371 S HA 0.425 4.890 4.470 -0.009 0.000 0.283 371 S C 1.288 175.929 174.600 0.069 0.000 1.320 371 S CA 0.140 58.404 58.200 0.107 0.000 1.058 371 S CB 1.245 64.521 63.200 0.127 0.000 0.882 371 S HN 2.018 nan 8.310 nan 0.000 0.498 372 A N 3.652 126.512 122.820 0.067 0.000 1.978 372 A HA 0.432 4.747 4.320 -0.009 0.000 0.220 372 A C 1.416 179.024 177.584 0.040 0.000 1.170 372 A CA 1.009 53.076 52.037 0.049 0.000 0.636 372 A CB -1.340 17.703 19.000 0.071 0.000 0.810 372 A HN 2.360 nan 8.150 nan 0.000 0.448 373 G N -1.474 107.369 108.800 0.072 0.000 2.375 373 G HA2 0.109 4.064 3.960 -0.009 0.000 0.663 373 G HA3 0.109 4.064 3.960 -0.009 0.000 0.663 373 G C -0.385 174.609 174.900 0.157 0.000 1.391 373 G CA -0.150 45.004 45.100 0.091 0.000 0.949 373 G HN 0.945 nan 8.290 nan 0.000 0.646 374 N N -1.238 117.580 118.700 0.196 0.000 2.458 374 N HA 0.244 4.979 4.740 -0.009 0.000 0.274 374 N C 0.432 176.114 175.510 0.286 0.000 1.242 374 N CA -0.453 52.720 53.050 0.206 0.000 0.904 374 N CB 0.509 39.084 38.487 0.147 0.000 1.206 374 N HN 0.537 nan 8.380 nan 0.000 0.510 375 H N -0.147 119.066 119.070 0.239 0.000 2.486 375 H HA 0.341 4.891 4.556 -0.009 0.000 0.284 375 H C 1.064 176.589 175.328 0.329 0.000 1.103 375 H CA -0.284 55.932 56.048 0.279 0.000 1.089 375 H CB 0.157 30.118 29.762 0.332 0.000 1.603 375 H HN 0.438 nan 8.280 nan 0.000 0.557 376 G N 0.616 109.618 108.800 0.337 0.000 2.683 376 G HA2 0.063 4.018 3.960 -0.009 0.000 0.260 376 G HA3 0.063 4.018 3.960 -0.009 0.000 0.260 376 G C -1.489 173.573 174.900 0.270 0.000 1.238 376 G CA -0.897 44.386 45.100 0.304 0.000 0.934 376 G HN 0.181 nan 8.290 nan 0.000 0.534 377 P HA 0.136 nan 4.420 nan 0.000 0.216 377 P C 0.957 178.216 177.300 -0.068 0.000 1.151 377 P CA 1.002 64.079 63.100 -0.038 0.000 0.863 377 P CB -0.014 31.505 31.700 -0.303 0.000 0.790 378 A N 1.779 124.421 122.820 -0.297 0.000 2.600 378 A HA 0.026 4.341 4.320 -0.009 0.000 0.253 378 A C 0.761 178.179 177.584 -0.276 0.000 0.997 378 A CA 0.275 52.015 52.037 -0.495 0.000 0.820 378 A CB -1.239 17.081 19.000 -1.134 0.000 0.888 378 A HN 0.313 nan 8.150 nan 0.000 0.508 379 L N 0.850 121.973 121.223 -0.168 0.000 2.475 379 L HA 0.489 4.824 4.340 -0.009 0.000 0.250 379 L C 0.660 177.464 176.870 -0.110 0.000 1.224 379 L CA -0.517 54.234 54.840 -0.148 0.000 0.821 379 L CB -0.038 41.824 42.059 -0.328 0.000 1.141 379 L HN 0.869 nan 8.230 nan 0.000 0.494 380 C N -0.136 119.093 119.300 -0.118 0.000 4.424 380 C HA -0.135 4.319 4.460 -0.009 0.000 0.304 380 C C 1.290 176.291 174.990 0.017 0.000 1.344 380 C CA 1.110 60.089 59.018 -0.066 0.000 2.033 380 C CB -2.865 24.851 27.740 -0.041 0.000 1.264 380 C HN 1.049 nan 8.230 nan 0.000 0.750 381 T N -1.482 113.111 114.554 0.065 0.000 3.209 381 T HA 0.275 4.620 4.350 -0.009 0.000 0.295 381 T C 0.398 175.249 174.700 0.252 0.000 0.977 381 T CA 0.207 62.420 62.100 0.187 0.000 0.922 381 T CB 0.130 69.147 68.868 0.248 0.000 1.152 381 T HN 0.333 nan 8.240 nan 0.000 0.527 382 V N 2.562 122.548 119.914 0.119 0.000 2.485 382 V HA 0.483 4.597 4.120 -0.009 0.000 0.287 382 V C 1.349 177.398 176.094 -0.074 0.000 1.022 382 V CA 0.179 62.501 62.300 0.038 0.000 1.067 382 V CB 0.563 32.390 31.823 0.007 0.000 0.967 382 V HN 0.512 nan 8.190 nan 0.000 0.479 383 G N 3.916 112.507 108.800 -0.349 0.000 2.504 383 G HA2 0.460 4.414 3.960 -0.009 0.000 0.288 383 G HA3 0.460 4.414 3.960 -0.009 0.000 0.288 383 G C 0.164 174.811 174.900 -0.421 0.000 1.182 383 G CA -0.433 44.197 45.100 -0.783 0.000 0.894 383 G HN 0.678 nan 8.290 nan 0.000 0.521 384 T N 1.803 116.107 114.554 -0.417 0.000 2.716 384 T HA 0.187 4.532 4.350 -0.009 0.000 0.335 384 T C -2.180 172.235 174.700 -0.474 0.000 1.081 384 T CA 0.203 62.027 62.100 -0.459 0.000 1.073 384 T CB -0.082 68.391 68.868 -0.658 0.000 0.993 384 T HN 0.476 nan 8.240 nan 0.000 0.547 385 P HA -0.141 nan 4.420 nan 0.000 0.207 385 P C -2.352 174.834 177.300 -0.189 0.000 0.991 385 P CA 0.028 62.958 63.100 -0.283 0.000 0.836 385 P CB -0.403 31.200 31.700 -0.161 0.000 0.817 386 P HA 0.079 nan 4.420 nan 0.000 0.275 386 P C -0.031 177.170 177.300 -0.166 0.000 1.310 386 P CA 0.363 63.358 63.100 -0.175 0.000 0.904 386 P CB 0.320 31.961 31.700 -0.099 0.000 1.381 387 D N 1.536 121.838 120.400 -0.163 0.000 2.489 387 D HA 0.073 4.708 4.640 -0.009 0.000 0.237 387 D C 0.583 176.809 176.300 -0.123 0.000 1.212 387 D CA 0.087 54.017 54.000 -0.117 0.000 1.058 387 D CB -0.567 40.175 40.800 -0.096 0.000 1.098 387 D HN 0.202 nan 8.370 nan 0.000 0.509 388 I N -1.437 119.070 120.570 -0.106 0.000 4.120 388 I HA 0.397 4.561 4.170 -0.009 0.000 0.239 388 I C 1.353 177.460 176.117 -0.017 0.000 1.195 388 I CA -0.857 60.397 61.300 -0.076 0.000 1.348 388 I CB 0.442 38.368 38.000 -0.123 0.000 1.409 388 I HN 0.009 nan 8.210 nan 0.000 0.474 389 S N -0.867 114.833 115.700 -0.000 0.000 2.603 389 S HA 0.117 4.581 4.470 -0.009 0.000 0.220 389 S C 0.325 174.928 174.600 0.006 0.000 0.967 389 S CA 0.170 58.383 58.200 0.022 0.000 0.920 389 S CB -0.696 62.525 63.200 0.034 0.000 0.773 389 S HN 0.783 nan 8.310 nan 0.000 0.529 390 Q N -1.094 118.701 119.800 -0.009 0.000 2.647 390 Q HA 0.392 4.727 4.340 -0.009 0.000 0.283 390 Q C -3.413 172.583 176.000 -0.007 0.000 0.943 390 Q CA -1.883 53.917 55.803 -0.006 0.000 0.813 390 Q CB 0.371 29.106 28.738 -0.004 0.000 1.477 390 Q HN 0.000 nan 8.270 nan 0.000 0.393 391 P HA 0.073 nan 4.420 nan 0.000 0.225 391 P C 0.156 177.493 177.300 0.062 0.000 1.768 391 P CA 0.173 63.289 63.100 0.026 0.000 0.943 391 P CB -0.189 31.535 31.700 0.039 0.000 1.936 392 S N -1.464 114.263 115.700 0.046 0.000 2.517 392 S HA 0.139 4.603 4.470 -0.009 0.000 0.214 392 S C 0.533 175.165 174.600 0.053 0.000 0.991 392 S CA 0.028 58.287 58.200 0.099 0.000 0.906 392 S CB -0.192 63.063 63.200 0.092 0.000 0.789 392 S HN 0.044 nan 8.310 nan 0.000 0.513 393 L N 1.737 122.945 121.223 -0.024 0.000 2.325 393 L HA 0.525 4.860 4.340 -0.009 0.000 0.278 393 L C -0.260 176.623 176.870 0.021 0.000 1.023 393 L CA -0.694 54.119 54.840 -0.045 0.000 0.811 393 L CB 1.351 43.261 42.059 -0.248 0.000 1.249 393 L HN 0.200 nan 8.230 nan 0.000 0.431 394 I N 2.547 123.160 120.570 0.073 0.000 2.281 394 I HA 0.251 4.416 4.170 -0.009 0.000 0.293 394 I C 0.855 177.014 176.117 0.070 0.000 1.085 394 I CA -0.196 61.148 61.300 0.072 0.000 1.257 394 I CB 0.530 38.578 38.000 0.081 0.000 1.430 394 I HN 0.690 nan 8.210 nan 0.000 0.489 395 G N 5.674 114.504 108.800 0.051 0.000 2.403 395 G HA2 0.447 4.402 3.960 -0.009 0.000 0.259 395 G HA3 0.447 4.402 3.960 -0.009 0.000 0.259 395 G C -0.475 174.464 174.900 0.066 0.000 1.244 395 G CA -0.187 44.943 45.100 0.050 0.000 0.849 395 G HN 0.373 nan 8.290 nan 0.000 0.532 396 V N 2.468 122.426 119.914 0.074 0.000 2.380 396 V HA 0.549 4.664 4.120 -0.009 0.000 0.286 396 V C 0.987 177.130 176.094 0.081 0.000 1.015 396 V CA -0.483 61.864 62.300 0.078 0.000 0.834 396 V CB 1.011 32.886 31.823 0.086 0.000 1.009 396 V HN 0.997 nan 8.190 nan 0.000 0.428 397 G N 3.242 112.090 108.800 0.080 0.000 2.651 397 G HA2 0.604 4.558 3.960 -0.009 0.000 0.260 397 G HA3 0.604 4.558 3.960 -0.009 0.000 0.260 397 G C -0.181 174.780 174.900 0.102 0.000 1.216 397 G CA 0.220 45.375 45.100 0.092 0.000 0.913 397 G HN 1.154 nan 8.290 nan 0.000 0.535 398 A N -0.198 122.689 122.820 0.111 0.000 2.371 398 A HA 0.733 5.048 4.320 -0.009 0.000 0.311 398 A C -1.058 176.619 177.584 0.156 0.000 1.068 398 A CA -0.704 51.399 52.037 0.109 0.000 0.744 398 A CB 1.153 20.178 19.000 0.042 0.000 1.239 398 A HN 1.380 nan 8.150 nan 0.000 0.435 399 Y N 0.638 120.925 120.300 -0.023 0.000 2.512 399 Y HA 0.728 5.273 4.550 -0.009 0.000 0.348 399 Y C -0.756 175.139 175.900 -0.010 0.000 0.990 399 Y CA -1.420 56.674 58.100 -0.010 0.000 1.033 399 Y CB 1.882 40.331 38.460 -0.018 0.000 1.259 399 Y HN 0.798 nan 8.280 nan 0.000 0.461 400 V N 1.523 121.276 119.914 -0.268 0.000 2.357 400 V HA 0.583 4.697 4.120 -0.009 0.000 0.284 400 V C -0.003 175.969 176.094 -0.204 0.000 1.018 400 V CA -0.584 61.503 62.300 -0.354 0.000 0.841 400 V CB 0.260 31.965 31.823 -0.196 0.000 0.991 400 V HN 0.979 nan 8.190 nan 0.000 0.437 401 S N 4.083 119.591 115.700 -0.320 0.000 2.572 401 S HA 0.311 4.775 4.470 -0.009 0.000 0.279 401 S C -1.336 173.256 174.600 -0.013 0.000 1.341 401 S CA -0.533 57.670 58.200 0.004 0.000 1.043 401 S CB 0.457 63.662 63.200 0.008 0.000 0.887 401 S HN 0.715 nan 8.310 nan 0.000 0.516 402 P HA -0.104 nan 4.420 nan 0.000 0.223 402 P C 0.746 178.016 177.300 -0.050 0.000 1.144 402 P CA 0.803 63.867 63.100 -0.060 0.000 0.783 402 P CB 0.027 31.645 31.700 -0.137 0.000 0.771 419 V N 2.265 122.284 119.914 0.176 0.000 2.443 419 V HA 0.378 4.493 4.120 -0.009 0.000 0.272 419 V C -0.678 175.505 176.094 0.147 0.000 1.002 419 V CA -0.365 62.016 62.300 0.135 0.000 0.840 419 V CB 1.522 33.379 31.823 0.057 0.000 1.042 419 V HN 0.449 nan 8.190 nan 0.000 0.446 420 Y N 3.239 123.561 120.300 0.036 0.000 2.921 420 Y HA 0.259 4.803 4.550 -0.009 0.000 0.246 420 Y C 1.313 177.090 175.900 -0.206 0.000 1.030 420 Y CA 1.322 59.339 58.100 -0.138 0.000 1.338 420 Y CB 0.669 39.016 38.460 -0.189 0.000 1.493 420 Y HN 0.720 nan 8.280 nan 0.000 0.452 421 T N -0.075 114.590 114.554 0.185 0.000 0.877 421 T HA -0.270 4.075 4.350 -0.009 0.000 0.737 421 T C -0.422 174.337 174.700 0.098 0.000 0.986 421 T CA 0.233 62.434 62.100 0.169 0.000 3.897 421 T CB -1.856 67.064 68.868 0.087 0.000 2.204 421 T HN 0.478 nan 8.240 nan 0.000 0.386 422 W N 2.509 123.840 121.300 0.052 0.000 2.150 422 W HA 0.336 4.992 4.660 -0.007 0.000 0.341 422 W C 1.279 177.842 176.519 0.074 0.000 1.276 422 W CA -0.413 56.974 57.345 0.072 0.000 1.238 422 W CB 0.849 30.326 29.460 0.029 0.000 1.128 422 W HN 0.747 nan 8.180 nan 0.000 0.581 423 T N 2.161 116.877 114.554 0.271 0.000 2.940 423 T HA 0.013 4.358 4.350 -0.009 0.000 0.309 423 T C 0.531 175.382 174.700 0.252 0.000 1.056 423 T CA -0.181 62.047 62.100 0.213 0.000 1.137 423 T CB 0.403 69.369 68.868 0.164 0.000 0.976 423 T HN 0.365 nan 8.240 nan 0.000 0.547 424 S N 3.075 118.910 115.700 0.225 0.000 2.564 424 S HA 0.422 4.887 4.470 -0.009 0.000 0.278 424 S C 0.014 174.717 174.600 0.172 0.000 1.333 424 S CA -0.913 57.422 58.200 0.224 0.000 1.048 424 S CB 0.605 63.944 63.200 0.232 0.000 0.900 424 S HN 0.500 nan 8.310 nan 0.000 0.505 425 R N 0.774 121.361 120.500 0.144 0.000 2.500 425 R HA 0.435 4.770 4.340 -0.009 0.000 0.277 425 R C -0.565 175.783 176.300 0.081 0.000 1.026 425 R CA -0.505 55.674 56.100 0.132 0.000 1.058 425 R CB 0.552 30.915 30.300 0.105 0.000 1.078 425 R HN 0.756 nan 8.270 nan 0.000 0.509 426 D N 2.390 122.875 120.400 0.141 0.000 2.540 426 D HA 0.283 4.917 4.640 -0.009 0.000 0.251 426 D C -2.032 174.325 176.300 0.096 0.000 1.159 426 D CA -2.002 52.060 54.000 0.104 0.000 0.974 426 D CB 0.989 41.861 40.800 0.119 0.000 0.996 426 D HN 0.207 nan 8.370 nan 0.000 0.512 427 P HA 0.156 nan 4.420 nan 0.000 0.210 427 P C 0.382 177.560 177.300 -0.203 0.000 1.130 427 P CA 0.295 63.277 63.100 -0.196 0.000 0.905 427 P CB 0.533 31.993 31.700 -0.400 0.000 0.774 428 C N -2.568 116.626 119.300 -0.176 0.000 5.714 428 C HA -0.125 4.330 4.460 -0.009 0.000 0.207 428 C C 1.124 176.072 174.990 -0.071 0.000 1.081 428 C CA 0.117 59.084 59.018 -0.085 0.000 1.174 428 C CB -2.203 25.506 27.740 -0.051 0.000 2.087 428 C HN 0.334 nan 8.230 nan 0.000 0.657 429 I N 0.107 120.598 120.570 -0.132 0.000 3.885 429 I HA -0.263 3.902 4.170 -0.009 0.000 0.146 429 I C 1.356 177.525 176.117 0.087 0.000 0.350 429 I CA 2.372 63.681 61.300 0.014 0.000 1.245 429 I CB -1.743 36.286 38.000 0.048 0.000 1.094 429 I HN 0.807 nan 8.210 nan 0.000 0.213 430 D N 0.601 121.029 120.400 0.047 0.000 2.333 430 D HA 0.116 4.751 4.640 -0.009 0.000 0.208 430 D C 1.729 178.074 176.300 0.074 0.000 0.984 430 D CA 1.690 55.736 54.000 0.076 0.000 0.873 430 D CB 0.497 41.333 40.800 0.059 0.000 0.935 430 D HN 0.680 nan 8.370 nan 0.000 0.521 431 G N 0.023 108.825 108.800 0.005 0.000 2.254 431 G HA2 -0.216 3.739 3.960 -0.009 0.000 0.225 431 G HA3 -0.216 3.739 3.960 -0.009 0.000 0.225 431 G C 0.835 175.721 174.900 -0.022 0.000 1.003 431 G CA 0.385 45.486 45.100 0.003 0.000 0.622 431 G HN 0.683 nan 8.290 nan 0.000 0.507 432 G N -0.091 108.705 108.800 -0.007 0.000 2.486 432 G HA2 0.528 4.483 3.960 -0.009 0.000 0.272 432 G HA3 0.528 4.483 3.960 -0.009 0.000 0.272 432 G C 0.193 175.094 174.900 0.002 0.000 1.426 432 G CA 0.525 45.629 45.100 0.007 0.000 1.058 432 G HN 1.147 nan 8.290 nan 0.000 0.531 433 Q N -0.562 119.251 119.800 0.020 0.000 2.320 433 Q HA 0.520 4.854 4.340 -0.009 0.000 0.268 433 Q C 0.408 176.428 176.000 0.032 0.000 1.023 433 Q CA -0.554 55.268 55.803 0.031 0.000 0.744 433 Q CB 1.674 30.439 28.738 0.045 0.000 1.246 433 Q HN 0.521 nan 8.270 nan 0.000 0.462 434 G N 2.277 111.091 108.800 0.024 0.000 2.408 434 G HA2 0.003 3.958 3.960 -0.009 0.000 0.213 434 G HA3 0.003 3.958 3.960 -0.009 0.000 0.213 434 G C 0.389 175.310 174.900 0.036 0.000 1.177 434 G CA 0.099 45.208 45.100 0.015 0.000 0.802 434 G HN 0.439 nan 8.290 nan 0.000 0.533 435 V N 2.117 122.063 119.914 0.052 0.000 2.446 435 V HA 0.185 4.300 4.120 -0.009 0.000 0.276 435 V C 1.252 177.396 176.094 0.084 0.000 1.030 435 V CA 0.632 62.971 62.300 0.065 0.000 1.033 435 V CB 1.012 32.878 31.823 0.071 0.000 0.993 435 V HN 0.265 nan 8.190 nan 0.000 0.477 436 T N 3.602 118.211 114.554 0.092 0.000 3.039 436 T HA 0.243 4.587 4.350 -0.009 0.000 0.250 436 T C 0.316 175.096 174.700 0.134 0.000 1.052 436 T CA 0.843 63.022 62.100 0.131 0.000 1.125 436 T CB 0.447 69.365 68.868 0.084 0.000 0.908 436 T HN 0.660 nan 8.240 nan 0.000 0.473 437 V N -1.063 118.901 119.914 0.084 0.000 3.301 437 V HA 0.705 4.820 4.120 -0.009 0.000 0.291 437 V C -1.315 174.804 176.094 0.041 0.000 1.549 437 V CA -2.035 60.300 62.300 0.057 0.000 1.061 437 V CB 1.339 33.189 31.823 0.045 0.000 1.154 437 V HN 0.378 nan 8.190 nan 0.000 0.466 438 C N -0.144 119.162 119.300 0.011 0.000 2.779 438 C HA 1.097 5.552 4.460 -0.009 0.000 0.314 438 C C 0.090 175.108 174.990 0.046 0.000 1.231 438 C CA 0.003 59.040 59.018 0.032 0.000 1.652 438 C CB 0.756 28.499 27.740 0.006 0.000 2.198 438 C HN 2.422 nan 8.230 nan 0.000 0.483 439 A N 1.329 124.222 122.820 0.121 0.000 2.587 439 A HA 0.985 5.300 4.320 -0.009 0.000 0.293 439 A C -3.239 174.418 177.584 0.122 0.000 1.087 439 A CA -1.337 50.745 52.037 0.075 0.000 0.692 439 A CB 0.783 19.736 19.000 -0.078 0.000 1.291 439 A HN 0.675 nan 8.150 nan 0.000 0.407 440 P HA 0.474 nan 4.420 nan 0.000 0.269 440 P C 0.458 177.658 177.300 -0.167 0.000 1.209 440 P CA 1.110 64.068 63.100 -0.238 0.000 0.776 440 P CB 0.838 32.406 31.700 -0.220 0.000 0.876 460 G N 0.417 109.305 108.800 0.147 0.000 2.606 460 G HA2 -0.361 3.594 3.960 -0.009 0.000 0.223 460 G HA3 -0.361 3.594 3.960 -0.009 0.000 0.223 460 G C 0.888 175.936 174.900 0.246 0.000 1.106 460 G CA 2.108 47.356 45.100 0.248 0.000 0.745 460 G HN 0.630 nan 8.290 nan 0.000 0.597 461 T N -1.393 113.261 114.554 0.167 0.000 9.266 461 T HA -0.307 4.038 4.350 -0.009 0.000 0.342 461 T C 1.077 175.820 174.700 0.072 0.000 1.919 461 T CA 1.679 63.857 62.100 0.131 0.000 2.973 461 T CB -1.668 67.294 68.868 0.157 0.000 2.373 461 T HN 1.658 nan 8.240 nan 0.000 1.071 465 A N 1.309 124.192 122.820 0.105 0.000 1.903 465 A HA -0.032 4.282 4.320 -0.009 0.000 0.219 465 A C 0.099 177.743 177.584 0.101 0.000 1.191 465 A CA 2.597 54.699 52.037 0.107 0.000 0.638 465 A CB -1.713 17.356 19.000 0.114 0.000 0.823 465 A HN 0.434 nan 8.150 nan 0.000 0.451 466 P HA -0.190 nan 4.420 nan 0.000 0.213 466 P C 1.383 178.730 177.300 0.077 0.000 1.170 466 P CA 1.732 64.869 63.100 0.061 0.000 0.902 466 P CB -0.274 31.452 31.700 0.042 0.000 0.789 467 H N -0.540 118.540 119.070 0.018 0.000 2.260 467 H HA -0.194 4.357 4.556 -0.009 0.000 0.288 467 H C 1.758 177.100 175.328 0.022 0.000 1.094 467 H CA 2.467 58.528 56.048 0.021 0.000 1.197 467 H CB -0.807 28.974 29.762 0.031 0.000 1.346 467 H HN -0.227 nan 8.280 nan 0.000 0.486 468 V N 0.697 120.763 119.914 0.254 0.000 2.324 468 V HA -0.345 3.770 4.120 -0.009 0.000 0.250 468 V C 2.726 178.867 176.094 0.078 0.000 1.060 468 V CA 1.792 64.189 62.300 0.162 0.000 1.042 468 V CB -1.341 30.555 31.823 0.120 0.000 0.650 468 V HN 0.732 nan 8.190 nan 0.000 0.450 469 A N 0.575 123.428 122.820 0.055 0.000 1.873 469 A HA -0.168 4.147 4.320 -0.009 0.000 0.218 469 A C 2.460 180.035 177.584 -0.015 0.000 1.193 469 A CA 2.231 54.275 52.037 0.011 0.000 0.629 469 A CB -1.380 17.619 19.000 -0.002 0.000 0.826 469 A HN 0.547 nan 8.150 nan 0.000 0.447 470 G N -0.772 108.010 108.800 -0.030 0.000 2.422 470 G HA2 0.007 3.962 3.960 -0.009 0.000 0.218 470 G HA3 0.007 3.962 3.960 -0.009 0.000 0.218 470 G C 1.738 176.602 174.900 -0.061 0.000 1.146 470 G CA 1.508 46.571 45.100 -0.063 0.000 0.769 470 G HN 0.854 nan 8.290 nan 0.000 0.547 471 A N 0.258 123.055 122.820 -0.040 0.000 1.908 471 A HA 0.027 4.341 4.320 -0.009 0.000 0.218 471 A C 2.561 180.134 177.584 -0.019 0.000 1.181 471 A CA 1.923 53.953 52.037 -0.012 0.000 0.627 471 A CB -0.616 18.425 19.000 0.067 0.000 0.818 471 A HN 0.302 nan 8.150 nan 0.000 0.445 472 V N -0.261 119.645 119.914 -0.013 0.000 2.626 472 V HA -0.185 3.930 4.120 -0.009 0.000 0.252 472 V C 2.926 178.988 176.094 -0.054 0.000 1.067 472 V CA 1.611 63.893 62.300 -0.029 0.000 1.081 472 V CB -1.224 30.589 31.823 -0.017 0.000 0.686 472 V HN 0.613 nan 8.190 nan 0.000 0.468 473 A N 0.289 123.079 122.820 -0.050 0.000 1.898 473 A HA -0.110 4.205 4.320 -0.009 0.000 0.216 473 A C 2.205 179.750 177.584 -0.065 0.000 1.181 473 A CA 1.583 53.587 52.037 -0.055 0.000 0.620 473 A CB -0.469 18.503 19.000 -0.048 0.000 0.819 473 A HN 0.491 nan 8.150 nan 0.000 0.442 474 L N -0.589 120.595 121.223 -0.065 0.000 2.012 474 L HA -0.228 4.107 4.340 -0.009 0.000 0.210 474 L C 2.614 179.420 176.870 -0.107 0.000 1.073 474 L CA 1.366 56.162 54.840 -0.073 0.000 0.748 474 L CB -0.759 41.252 42.059 -0.080 0.000 0.891 474 L HN 0.367 nan 8.230 nan 0.000 0.431 475 L N -0.274 120.883 121.223 -0.110 0.000 2.042 475 L HA -0.228 4.107 4.340 -0.009 0.000 0.210 475 L C 2.398 179.215 176.870 -0.088 0.000 1.076 475 L CA 1.382 56.166 54.840 -0.092 0.000 0.749 475 L CB -0.413 41.633 42.059 -0.022 0.000 0.893 475 L HN 0.248 nan 8.230 nan 0.000 0.432 476 I N -1.157 119.327 120.570 -0.143 0.000 3.001 476 I HA -0.154 4.011 4.170 -0.009 0.000 0.268 476 I C 2.349 178.396 176.117 -0.117 0.000 1.267 476 I CA 0.209 61.389 61.300 -0.200 0.000 1.472 476 I CB -0.215 37.677 38.000 -0.180 0.000 1.089 476 I HN 0.166 nan 8.210 nan 0.000 0.468 477 S N 1.276 116.906 115.700 -0.116 0.000 2.344 477 S HA -0.127 4.338 4.470 -0.009 0.000 0.217 477 S C 2.121 176.552 174.600 -0.280 0.000 1.033 477 S CA 1.786 59.885 58.200 -0.167 0.000 1.017 477 S CB -0.634 62.472 63.200 -0.157 0.000 0.941 477 S HN 0.610 nan 8.310 nan 0.000 0.430 478 G N 1.201 109.792 108.800 -0.349 0.000 2.494 478 G HA2 0.015 3.970 3.960 -0.009 0.000 0.216 478 G HA3 0.015 3.970 3.960 -0.009 0.000 0.216 478 G C 1.200 176.155 174.900 0.091 0.000 1.140 478 G CA -0.004 44.868 45.100 -0.378 0.000 0.801 478 G HN 0.312 nan 8.290 nan 0.000 0.536 479 L N 0.051 121.359 121.223 0.141 0.000 2.263 479 L HA -0.037 4.298 4.340 -0.009 0.000 0.216 479 L C 2.486 179.445 176.870 0.149 0.000 1.111 479 L CA 1.662 56.571 54.840 0.114 0.000 0.773 479 L CB -0.340 41.608 42.059 -0.185 0.000 0.906 479 L HN 0.312 nan 8.230 nan 0.000 0.439 480 K N -0.613 119.840 120.400 0.088 0.000 2.350 480 K HA -0.032 4.283 4.320 -0.009 0.000 0.196 480 K C 1.858 178.479 176.600 0.034 0.000 1.084 480 K CA 0.100 56.454 56.287 0.112 0.000 0.967 480 K CB 0.395 32.959 32.500 0.108 0.000 0.950 480 K HN 0.373 nan 8.250 nan 0.000 0.512 481 Q N -0.486 119.290 119.800 -0.040 0.000 2.319 481 Q HA 0.053 4.387 4.340 -0.009 0.000 0.202 481 Q C 0.909 176.900 176.000 -0.014 0.000 0.896 481 Q CA 0.302 56.067 55.803 -0.063 0.000 0.942 481 Q CB 0.610 29.254 28.738 -0.157 0.000 1.083 481 Q HN 0.219 nan 8.270 nan 0.000 0.510 482 Q N 1.002 120.830 119.800 0.046 0.000 2.282 482 Q HA 0.107 4.442 4.340 -0.009 0.000 0.206 482 Q C -0.662 175.391 176.000 0.088 0.000 0.878 482 Q CA -0.210 55.659 55.803 0.110 0.000 0.944 482 Q CB 0.335 29.196 28.738 0.204 0.000 1.100 482 Q HN 0.529 nan 8.270 nan 0.000 0.509 483 N N 1.050 119.795 118.700 0.075 0.000 2.648 483 N HA -0.139 4.596 4.740 -0.009 0.000 0.265 483 N C -1.359 174.199 175.510 0.081 0.000 1.100 483 N CA -0.181 52.910 53.050 0.069 0.000 0.715 483 N CB -0.181 38.335 38.487 0.048 0.000 0.881 483 N HN 0.120 nan 8.380 nan 0.000 0.548 484 I N 1.487 122.131 120.570 0.124 0.000 2.389 484 I HA 0.187 4.351 4.170 -0.009 0.000 0.288 484 I C 0.672 176.894 176.117 0.176 0.000 0.999 484 I CA -0.350 61.031 61.300 0.134 0.000 1.129 484 I CB 1.460 39.543 38.000 0.138 0.000 1.288 484 I HN 0.304 nan 8.210 nan 0.000 0.444 485 E N 6.849 127.092 120.200 0.073 0.000 2.257 485 E HA 0.279 4.624 4.350 -0.009 0.000 0.278 485 E C -1.405 175.206 176.600 0.019 0.000 1.049 485 E CA -0.061 56.321 56.400 -0.031 0.000 0.876 485 E CB 0.546 30.215 29.700 -0.050 0.000 1.035 485 E HN 0.498 nan 8.360 nan 0.000 0.419 486 Y N 0.609 120.848 120.300 -0.102 0.000 2.705 486 Y HA 0.738 5.283 4.550 -0.009 0.000 0.332 486 Y C -0.724 175.039 175.900 -0.229 0.000 1.157 486 Y CA -1.132 56.900 58.100 -0.113 0.000 1.091 486 Y CB 1.200 39.623 38.460 -0.063 0.000 1.301 486 Y HN 0.220 nan 8.280 nan 0.000 0.488 487 S N -0.112 115.616 115.700 0.047 0.000 2.697 487 S HA 0.438 4.903 4.470 -0.009 0.000 0.289 487 S C -2.489 172.096 174.600 -0.025 0.000 1.149 487 S CA -1.395 56.698 58.200 -0.178 0.000 0.850 487 S CB 2.070 65.189 63.200 -0.135 0.000 1.151 487 S HN 0.599 nan 8.310 nan 0.000 0.491 488 P HA 0.057 nan 4.420 nan 0.000 0.229 488 P C 0.303 177.525 177.300 -0.130 0.000 1.160 488 P CA 0.992 63.996 63.100 -0.161 0.000 0.777 488 P CB -0.067 31.491 31.700 -0.237 0.000 0.814 489 Y N -0.138 120.219 120.300 0.095 0.000 2.231 489 Y HA -0.087 4.458 4.550 -0.009 0.000 0.294 489 Y C 2.731 178.654 175.900 0.039 0.000 1.120 489 Y CA 0.950 59.086 58.100 0.061 0.000 1.141 489 Y CB -1.179 37.312 38.460 0.052 0.000 1.022 489 Y HN -0.012 nan 8.280 nan 0.000 0.523 490 S N 0.344 116.152 115.700 0.179 0.000 2.442 490 S HA -0.133 4.332 4.470 -0.009 0.000 0.236 490 S C 1.675 176.301 174.600 0.044 0.000 1.007 490 S CA 1.143 59.410 58.200 0.111 0.000 0.965 490 S CB -0.798 62.472 63.200 0.117 0.000 0.773 490 S HN 0.480 nan 8.310 nan 0.000 0.504 491 I N 1.232 121.824 120.570 0.037 0.000 2.339 491 I HA -0.001 4.164 4.170 -0.009 0.000 0.245 491 I C 2.728 178.829 176.117 -0.026 0.000 1.096 491 I CA 1.090 62.382 61.300 -0.014 0.000 1.408 491 I CB -0.288 37.694 38.000 -0.030 0.000 1.092 491 I HN 0.301 nan 8.210 nan 0.000 0.423 492 K N 1.490 121.895 120.400 0.009 0.000 2.147 492 K HA -0.222 4.093 4.320 -0.009 0.000 0.205 492 K C 2.342 178.910 176.600 -0.052 0.000 1.049 492 K CA 1.370 57.658 56.287 0.002 0.000 0.936 492 K CB -0.026 32.506 32.500 0.054 0.000 0.722 492 K HN 0.120 nan 8.250 nan 0.000 0.446 493 R N 0.060 120.537 120.500 -0.039 0.000 2.075 493 R HA -0.075 4.260 4.340 -0.009 0.000 0.232 493 R C 2.131 178.275 176.300 -0.260 0.000 1.126 493 R CA 1.278 57.316 56.100 -0.103 0.000 0.963 493 R CB -0.259 30.031 30.300 -0.016 0.000 0.858 493 R HN 0.256 nan 8.270 nan 0.000 0.435 494 A N 1.486 124.133 122.820 -0.289 0.000 1.873 494 A HA -0.151 4.163 4.320 -0.009 0.000 0.215 494 A C 2.169 179.549 177.584 -0.340 0.000 1.186 494 A CA 1.429 53.152 52.037 -0.524 0.000 0.616 494 A CB -0.652 18.178 19.000 -0.282 0.000 0.823 494 A HN 0.552 nan 8.150 nan 0.000 0.442 495 I N -0.614 119.849 120.570 -0.179 0.000 2.252 495 I HA -0.199 3.966 4.170 -0.009 0.000 0.245 495 I C 2.301 178.335 176.117 -0.139 0.000 1.102 495 I CA 1.847 63.083 61.300 -0.107 0.000 1.385 495 I CB -0.186 37.783 38.000 -0.051 0.000 1.064 495 I HN 0.282 nan 8.210 nan 0.000 0.414 496 S N 1.142 116.708 115.700 -0.224 0.000 2.378 496 S HA -0.205 4.260 4.470 -0.009 0.000 0.221 496 S C 1.638 176.033 174.600 -0.341 0.000 1.037 496 S CA 1.823 59.779 58.200 -0.408 0.000 1.069 496 S CB -0.861 61.938 63.200 -0.668 0.000 1.006 496 S HN 0.562 nan 8.310 nan 0.000 0.423 497 V N 0.218 119.958 119.914 -0.289 0.000 3.458 497 V HA 0.236 4.350 4.120 -0.009 0.000 0.318 497 V C 0.631 176.713 176.094 -0.020 0.000 1.182 497 V CA 0.994 63.224 62.300 -0.117 0.000 1.303 497 V CB -1.054 30.726 31.823 -0.073 0.000 1.073 497 V HN 0.368 nan 8.190 nan 0.000 0.418 498 T N -0.359 114.175 114.554 -0.032 0.000 3.051 498 T HA 0.490 4.834 4.350 -0.009 0.000 0.254 498 T C 1.122 175.838 174.700 0.025 0.000 0.916 498 T CA 0.510 62.625 62.100 0.024 0.000 0.894 498 T CB 0.508 69.387 68.868 0.018 0.000 1.251 498 T HN 0.772 nan 8.240 nan 0.000 0.517 499 A N 1.716 124.543 122.820 0.013 0.000 2.386 499 A HA 0.517 4.831 4.320 -0.009 0.000 0.246 499 A C 0.206 177.799 177.584 0.014 0.000 1.089 499 A CA 0.166 52.213 52.037 0.017 0.000 0.790 499 A CB -0.010 19.003 19.000 0.022 0.000 1.042 499 A HN 0.247 nan 8.150 nan 0.000 0.497 500 T N 1.766 116.314 114.554 -0.011 0.000 2.753 500 T HA 0.309 4.654 4.350 -0.009 0.000 0.297 500 T C 0.016 174.677 174.700 -0.065 0.000 0.981 500 T CA -0.372 61.713 62.100 -0.025 0.000 0.956 500 T CB 0.501 69.356 68.868 -0.021 0.000 0.936 500 T HN 0.595 nan 8.240 nan 0.000 0.463 501 K N 3.507 123.873 120.400 -0.057 0.000 2.402 501 K HA 0.165 4.479 4.320 -0.009 0.000 0.285 501 K C -0.643 175.880 176.600 -0.129 0.000 1.054 501 K CA -0.581 55.649 56.287 -0.095 0.000 1.001 501 K CB 0.149 32.603 32.500 -0.076 0.000 0.946 501 K HN 0.292 nan 8.250 nan 0.000 0.473 502 L N 4.875 125.962 121.223 -0.226 0.000 2.283 502 L HA 0.189 4.524 4.340 -0.009 0.000 0.287 502 L C 1.400 178.106 176.870 -0.273 0.000 1.073 502 L CA 0.564 55.202 54.840 -0.337 0.000 0.822 502 L CB 1.033 42.672 42.059 -0.702 0.000 1.186 502 L HN 0.904 nan 8.230 nan 0.000 0.436 503 G N 2.686 111.425 108.800 -0.102 0.000 2.679 503 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.212 503 G HA3 -0.238 3.717 3.960 -0.009 0.000 0.212 503 G C 0.918 175.844 174.900 0.043 0.000 1.137 503 G CA 0.661 45.749 45.100 -0.020 0.000 0.787 503 G HN 0.781 nan 8.290 nan 0.000 0.534 504 Y N -1.272 119.034 120.300 0.011 0.000 2.467 504 Y HA 0.639 5.184 4.550 -0.009 0.000 0.250 504 Y C -0.086 175.849 175.900 0.058 0.000 1.155 504 Y CA -1.053 57.070 58.100 0.038 0.000 1.249 504 Y CB 0.103 38.593 38.460 0.050 0.000 1.146 504 Y HN -0.092 nan 8.280 nan 0.000 0.524 505 V N 1.715 121.447 119.914 -0.305 0.000 2.581 505 V HA 0.141 4.255 4.120 -0.009 0.000 0.303 505 V C -0.455 175.600 176.094 -0.065 0.000 1.041 505 V CA -1.202 60.993 62.300 -0.174 0.000 0.907 505 V CB 1.526 33.158 31.823 -0.318 0.000 0.994 505 V HN 0.143 nan 8.190 nan 0.000 0.442 506 D N 5.872 126.294 120.400 0.035 0.000 2.581 506 D HA 0.004 4.639 4.640 -0.009 0.000 0.238 506 D C -1.457 174.839 176.300 -0.007 0.000 1.145 506 D CA -1.049 52.988 54.000 0.062 0.000 0.866 506 D CB 1.514 42.407 40.800 0.155 0.000 1.151 506 D HN 0.215 nan 8.370 nan 0.000 0.500 507 P HA -0.179 nan 4.420 nan 0.000 0.216 507 P C 1.124 178.278 177.300 -0.244 0.000 1.154 507 P CA 1.277 64.229 63.100 -0.248 0.000 0.865 507 P CB -0.021 31.421 31.700 -0.430 0.000 0.789 508 F N -0.676 119.281 119.950 0.011 0.000 2.293 508 F HA 0.065 4.587 4.527 -0.008 0.000 0.297 508 F C 2.438 178.253 175.800 0.025 0.000 1.089 508 F CA 0.891 58.900 58.000 0.015 0.000 1.377 508 F CB -1.491 37.531 39.000 0.036 0.000 1.051 508 F HN -0.140 nan 8.300 nan 0.000 0.511 509 A N -0.181 122.765 122.820 0.210 0.000 2.070 509 A HA -0.112 4.202 4.320 -0.009 0.000 0.220 509 A C 1.476 179.119 177.584 0.098 0.000 1.159 509 A CA 1.202 53.336 52.037 0.162 0.000 0.656 509 A CB -0.673 18.427 19.000 0.167 0.000 0.800 509 A HN 0.526 nan 8.150 nan 0.000 0.453 510 Q N -2.050 117.774 119.800 0.040 0.000 3.018 510 Q HA 0.618 4.953 4.340 -0.009 0.000 0.209 510 Q C -0.146 175.847 176.000 -0.012 0.000 1.036 510 Q CA -0.508 55.292 55.803 -0.004 0.000 0.886 510 Q CB 1.157 29.848 28.738 -0.078 0.000 2.058 510 Q HN 0.509 nan 8.270 nan 0.000 0.452 511 G N -0.442 108.335 108.800 -0.039 0.000 2.139 511 G HA2 0.342 4.297 3.960 -0.009 0.000 0.315 511 G HA3 0.342 4.297 3.960 -0.009 0.000 0.315 511 G C -1.384 173.503 174.900 -0.020 0.000 1.599 511 G CA -0.418 44.634 45.100 -0.080 0.000 0.960 511 G HN 0.871 nan 8.290 nan 0.000 0.615 512 H N -0.012 119.029 119.070 -0.049 0.000 2.692 512 H HA -0.110 4.441 4.556 -0.008 0.000 0.316 512 H C 1.915 177.204 175.328 -0.065 0.000 1.176 512 H CA 2.099 58.116 56.048 -0.051 0.000 1.142 512 H CB -0.966 28.773 29.762 -0.038 0.000 1.475 512 H HN 2.247 nan 8.280 nan 0.000 0.423 513 G N -0.360 108.419 108.800 -0.034 0.000 2.596 513 G HA2 -0.355 3.600 3.960 -0.009 0.000 0.334 513 G HA3 -0.355 3.600 3.960 -0.009 0.000 0.334 513 G C 0.230 175.072 174.900 -0.096 0.000 1.351 513 G CA 0.279 45.322 45.100 -0.096 0.000 0.965 513 G HN 0.594 nan 8.290 nan 0.000 0.533 514 L N -0.089 121.054 121.223 -0.134 0.000 2.307 514 L HA 0.630 4.965 4.340 -0.009 0.000 0.282 514 L C 0.610 177.451 176.870 -0.047 0.000 1.051 514 L CA -1.221 53.534 54.840 -0.142 0.000 0.804 514 L CB 1.302 43.209 42.059 -0.255 0.000 1.197 514 L HN 0.823 nan 8.230 nan 0.000 0.431 515 L N 5.417 126.632 121.223 -0.014 0.000 2.615 515 L HA 0.034 4.369 4.340 -0.009 0.000 0.284 515 L C -0.398 176.498 176.870 0.043 0.000 1.237 515 L CA 0.921 55.776 54.840 0.025 0.000 0.905 515 L CB -0.058 42.031 42.059 0.051 0.000 1.149 515 L HN 0.657 nan 8.230 nan 0.000 0.499 516 N N 4.179 122.909 118.700 0.049 0.000 2.573 516 N HA 0.199 4.934 4.740 -0.009 0.000 0.262 516 N C 0.448 176.007 175.510 0.081 0.000 1.029 516 N CA -0.356 52.736 53.050 0.070 0.000 0.882 516 N CB 1.391 39.912 38.487 0.056 0.000 1.204 516 N HN 0.535 nan 8.380 nan 0.000 0.519 517 V N 3.529 123.502 119.914 0.099 0.000 2.255 517 V HA -0.216 3.899 4.120 -0.009 0.000 0.243 517 V C 2.238 178.395 176.094 0.105 0.000 1.038 517 V CA 2.237 64.590 62.300 0.087 0.000 1.008 517 V CB -0.528 31.337 31.823 0.070 0.000 0.645 517 V HN 0.777 nan 8.190 nan 0.000 0.449 518 E N 0.977 121.251 120.200 0.123 0.000 2.160 518 E HA -0.313 4.031 4.350 -0.009 0.000 0.195 518 E C 2.146 178.846 176.600 0.167 0.000 0.991 518 E CA 1.913 58.405 56.400 0.153 0.000 0.810 518 E CB -0.340 29.480 29.700 0.200 0.000 0.742 518 E HN 0.594 nan 8.360 nan 0.000 0.466 519 K N 0.468 120.945 120.400 0.128 0.000 2.116 519 K HA 0.028 4.343 4.320 -0.009 0.000 0.203 519 K C 2.130 178.808 176.600 0.130 0.000 1.052 519 K CA 0.881 57.236 56.287 0.113 0.000 0.952 519 K CB -0.114 32.436 32.500 0.082 0.000 0.729 519 K HN 0.211 nan 8.250 nan 0.000 0.446 520 A N 0.222 123.115 122.820 0.122 0.000 2.014 520 A HA -0.084 4.230 4.320 -0.009 0.000 0.218 520 A C 1.838 179.516 177.584 0.157 0.000 1.163 520 A CA 0.697 52.799 52.037 0.108 0.000 0.652 520 A CB -0.566 18.468 19.000 0.057 0.000 0.808 520 A HN 0.486 nan 8.150 nan 0.000 0.449 521 F N 0.662 120.608 119.950 -0.007 0.000 2.234 521 F HA -0.074 4.448 4.527 -0.009 0.000 0.296 521 F C 2.188 177.988 175.800 -0.001 0.000 1.089 521 F CA 1.517 59.486 58.000 -0.052 0.000 1.343 521 F CB 0.025 38.913 39.000 -0.187 0.000 1.040 521 F HN 0.315 nan 8.300 nan 0.000 0.498 522 E N -0.622 119.594 120.200 0.028 0.000 2.049 522 E HA -0.362 3.982 4.350 -0.009 0.000 0.198 522 E C 1.936 178.519 176.600 -0.028 0.000 1.007 522 E CA 1.912 58.293 56.400 -0.032 0.000 0.809 522 E CB -0.571 29.162 29.700 0.055 0.000 0.749 522 E HN 0.610 nan 8.360 nan 0.000 0.450 523 H N 0.356 119.420 119.070 -0.010 0.000 2.390 523 H HA -0.102 4.449 4.556 -0.009 0.000 0.298 523 H C 2.051 177.410 175.328 0.051 0.000 1.106 523 H CA 1.349 57.440 56.048 0.073 0.000 1.297 523 H CB 0.083 29.883 29.762 0.063 0.000 1.375 523 H HN 0.055 nan 8.280 nan 0.000 0.509 524 L N -0.906 120.388 121.223 0.119 0.000 2.095 524 L HA -0.110 4.225 4.340 -0.009 0.000 0.204 524 L C 2.520 179.311 176.870 -0.132 0.000 1.080 524 L CA 1.312 56.163 54.840 0.018 0.000 0.759 524 L CB -0.331 41.699 42.059 -0.049 0.000 0.914 524 L HN 0.332 nan 8.230 nan 0.000 0.439 525 T N -0.508 113.832 114.554 -0.357 0.000 2.708 525 T HA -0.133 4.212 4.350 -0.009 0.000 0.266 525 T C 0.674 175.258 174.700 -0.192 0.000 1.037 525 T CA 0.942 62.839 62.100 -0.338 0.000 1.146 525 T CB -0.256 68.345 68.868 -0.446 0.000 0.865 525 T HN 0.385 nan 8.240 nan 0.000 0.435 526 E N 0.119 120.191 120.200 -0.215 0.000 2.371 526 E HA 0.258 4.603 4.350 -0.009 0.000 0.257 526 E C 0.038 176.478 176.600 -0.268 0.000 1.134 526 E CA -0.370 55.824 56.400 -0.342 0.000 0.919 526 E CB 0.143 29.507 29.700 -0.561 0.000 1.025 526 E HN 0.486 nan 8.360 nan 0.000 0.438 527 H N -1.152 117.872 119.070 -0.076 0.000 3.010 527 H HA -0.231 4.320 4.556 -0.009 0.000 0.272 527 H C 1.376 176.699 175.328 -0.009 0.000 1.151 527 H CA 1.188 57.208 56.048 -0.047 0.000 1.159 527 H CB -1.455 28.261 29.762 -0.077 0.000 1.295 527 H HN 0.570 nan 8.280 nan 0.000 0.344 528 R N 0.761 121.286 120.500 0.041 0.000 2.235 528 R HA -0.036 4.298 4.340 -0.009 0.000 0.213 528 R C 0.777 177.104 176.300 0.045 0.000 1.059 528 R CA 1.179 57.305 56.100 0.043 0.000 0.997 528 R CB 0.231 30.534 30.300 0.004 0.000 0.884 528 R HN 0.309 nan 8.270 nan 0.000 0.462 529 Q N 1.199 121.024 119.800 0.042 0.000 2.217 529 Q HA 0.183 4.517 4.340 -0.009 0.000 0.226 529 Q C -0.447 175.588 176.000 0.059 0.000 0.875 529 Q CA 0.070 55.900 55.803 0.045 0.000 0.974 529 Q CB 1.224 29.984 28.738 0.036 0.000 1.079 529 Q HN 0.177 nan 8.270 nan 0.000 0.463 530 S N 0.408 116.147 115.700 0.066 0.000 2.451 530 S HA 0.294 4.759 4.470 -0.009 0.000 0.301 530 S C 0.804 175.411 174.600 0.013 0.000 1.116 530 S CA -0.460 57.777 58.200 0.062 0.000 1.093 530 S CB 1.287 64.543 63.200 0.093 0.000 1.017 530 S HN -0.028 nan 8.310 nan 0.000 0.482 531 K N 2.931 123.309 120.400 -0.037 0.000 2.432 531 K HA 0.076 4.391 4.320 -0.009 0.000 0.196 531 K C 0.914 177.403 176.600 -0.185 0.000 1.038 531 K CA 1.142 57.315 56.287 -0.191 0.000 0.986 531 K CB -0.218 32.003 32.500 -0.464 0.000 0.782 531 K HN 0.597 nan 8.250 nan 0.000 0.485 532 D N 0.302 120.665 120.400 -0.061 0.000 2.263 532 D HA -0.108 4.526 4.640 -0.009 0.000 0.208 532 D C 0.154 176.463 176.300 0.015 0.000 0.971 532 D CA 0.565 54.566 54.000 0.003 0.000 0.867 532 D CB -0.150 40.707 40.800 0.095 0.000 0.929 532 D HN 0.220 nan 8.370 nan 0.000 0.492 536 R N 2.250 122.257 120.500 -0.821 0.000 2.532 536 R HA 0.687 5.021 4.340 -0.009 0.000 0.295 536 R C -1.646 174.114 176.300 -0.899 0.000 0.968 536 R CA -0.378 55.150 56.100 -0.955 0.000 0.916 536 R CB 1.302 30.783 30.300 -1.366 0.000 1.124 536 R HN 0.328 nan 8.270 nan 0.000 0.463 537 F N 2.380 122.055 119.950 -0.458 0.000 2.325 537 F HA 0.243 4.765 4.527 -0.009 0.000 0.369 537 F C 0.520 176.002 175.800 -0.531 0.000 1.095 537 F CA -0.525 57.144 58.000 -0.552 0.000 1.082 537 F CB 1.905 40.379 39.000 -0.876 0.000 1.289 537 F HN 0.438 nan 8.300 nan 0.000 0.462 538 S N 3.271 118.810 115.700 -0.267 0.000 2.443 538 S HA 0.383 4.847 4.470 -0.009 0.000 0.284 538 S C -0.424 174.074 174.600 -0.170 0.000 1.206 538 S CA -0.438 57.648 58.200 -0.189 0.000 1.074 538 S CB -0.032 63.085 63.200 -0.138 0.000 0.963 538 S HN 0.346 nan 8.310 nan 0.000 0.501 539 V N 8.017 127.844 119.914 -0.145 0.000 2.313 539 V HA 0.495 4.610 4.120 -0.009 0.000 0.278 539 V C 0.066 176.161 176.094 0.002 0.000 1.017 539 V CA -0.737 61.513 62.300 -0.083 0.000 0.823 539 V CB 0.793 32.568 31.823 -0.080 0.000 1.010 539 V HN 0.892 nan 8.190 nan 0.000 0.443 540 R N 3.633 124.168 120.500 0.057 0.000 2.621 540 R HA 0.886 5.220 4.340 -0.009 0.000 0.292 540 R C -1.678 174.727 176.300 0.174 0.000 0.969 540 R CA -0.843 55.311 56.100 0.091 0.000 0.887 540 R CB 2.146 32.482 30.300 0.059 0.000 1.180 540 R HN 0.290 nan 8.270 nan 0.000 0.450 541 V N 1.749 121.754 119.914 0.152 0.000 2.417 541 V HA 0.519 4.633 4.120 -0.009 0.000 0.291 541 V C 0.975 177.195 176.094 0.210 0.000 1.024 541 V CA 0.050 62.458 62.300 0.179 0.000 0.861 541 V CB 1.374 33.273 31.823 0.126 0.000 0.985 541 V HN 1.082 nan 8.190 nan 0.000 0.436 542 G N 4.227 113.183 108.800 0.260 0.000 2.295 542 G HA2 -0.324 3.631 3.960 -0.009 0.000 0.287 542 G HA3 -0.324 3.631 3.960 -0.009 0.000 0.287 542 G C 0.461 175.471 174.900 0.182 0.000 1.055 542 G CA 0.950 46.185 45.100 0.225 0.000 0.922 542 G HN 1.144 nan 8.290 nan 0.000 0.503 543 N N -2.292 116.532 118.700 0.205 0.000 2.927 543 N HA -0.243 4.492 4.740 -0.009 0.000 0.215 543 N C 1.089 176.608 175.510 0.015 0.000 0.868 543 N CA 1.696 54.783 53.050 0.060 0.000 1.075 543 N CB -1.100 37.422 38.487 0.059 0.000 0.989 543 N HN 0.455 nan 8.380 nan 0.000 0.609 544 N N 0.301 119.029 118.700 0.047 0.000 2.461 544 N HA 0.380 5.115 4.740 -0.009 0.000 0.188 544 N C 0.604 176.130 175.510 0.026 0.000 1.134 544 N CA 0.985 54.050 53.050 0.024 0.000 0.878 544 N CB 0.106 38.617 38.487 0.039 0.000 0.972 544 N HN 0.492 nan 8.380 nan 0.000 0.456 545 A N -0.234 122.609 122.820 0.038 0.000 2.887 545 A HA -0.253 4.062 4.320 -0.009 0.000 0.257 545 A C -0.205 177.409 177.584 0.050 0.000 1.372 545 A CA 0.942 52.998 52.037 0.032 0.000 0.879 545 A CB -2.439 16.558 19.000 -0.004 0.000 1.082 545 A HN 0.455 nan 8.150 nan 0.000 0.703 546 D N -0.116 120.326 120.400 0.071 0.000 2.364 546 D HA 0.331 4.965 4.640 -0.009 0.000 0.236 546 D C 1.424 177.762 176.300 0.063 0.000 1.221 546 D CA 0.997 55.041 54.000 0.074 0.000 0.891 546 D CB 0.329 41.185 40.800 0.092 0.000 1.190 546 D HN 0.655 nan 8.370 nan 0.000 0.449 547 K N -0.165 120.266 120.400 0.051 0.000 2.414 547 K HA 0.409 4.724 4.320 -0.009 0.000 0.204 547 K C 0.268 176.891 176.600 0.037 0.000 1.026 547 K CA -0.688 55.622 56.287 0.039 0.000 1.108 547 K CB 0.838 33.355 32.500 0.027 0.000 0.855 547 K HN 0.362 nan 8.250 nan 0.000 0.517 548 G N 1.040 109.863 108.800 0.039 0.000 2.632 548 G HA2 0.433 4.387 3.960 -0.009 0.000 0.292 548 G HA3 0.433 4.387 3.960 -0.009 0.000 0.292 548 G C -1.577 173.331 174.900 0.014 0.000 1.465 548 G CA -0.971 44.143 45.100 0.023 0.000 0.824 548 G HN 0.096 nan 8.290 nan 0.000 0.509 549 I N 1.189 121.735 120.570 -0.041 0.000 2.315 549 I HA 0.318 4.483 4.170 -0.009 0.000 0.291 549 I C -0.523 175.602 176.117 0.013 0.000 1.006 549 I CA -0.623 60.593 61.300 -0.139 0.000 1.265 549 I CB 1.464 39.237 38.000 -0.378 0.000 1.387 549 I HN 0.540 nan 8.210 nan 0.000 0.475 550 H N 7.127 126.155 119.070 -0.071 0.000 2.917 550 H HA 0.422 4.975 4.556 -0.006 0.000 0.279 550 H C -1.480 173.855 175.328 0.011 0.000 1.211 550 H CA -0.756 55.282 56.048 -0.017 0.000 1.534 550 H CB 0.629 30.390 29.762 -0.001 0.000 1.581 550 H HN 0.359 nan 8.280 nan 0.000 0.510 551 L N 4.959 126.120 121.223 -0.102 0.000 2.342 551 L HA 0.384 4.719 4.340 -0.009 0.000 0.285 551 L C 0.611 177.299 176.870 -0.302 0.000 1.095 551 L CA 0.292 55.056 54.840 -0.125 0.000 0.843 551 L CB 0.420 42.481 42.059 0.003 0.000 1.201 551 L HN 0.576 nan 8.230 nan 0.000 0.445 552 R N 2.174 122.453 120.500 -0.367 0.000 2.837 552 R HA 0.162 4.496 4.340 -0.009 0.000 0.245 552 R C 0.141 176.334 176.300 -0.180 0.000 1.712 552 R CA -0.064 55.836 56.100 -0.334 0.000 1.539 552 R CB 0.479 30.457 30.300 -0.537 0.000 1.490 552 R HN 0.642 nan 8.270 nan 0.000 0.667 553 Q N 0.896 120.630 119.800 -0.110 0.000 2.225 553 Q HA 0.443 4.778 4.340 -0.009 0.000 0.193 553 Q C -0.129 175.844 176.000 -0.044 0.000 0.990 553 Q CA 1.381 57.147 55.803 -0.061 0.000 0.841 553 Q CB 0.871 29.584 28.738 -0.041 0.000 0.941 553 Q HN 0.534 nan 8.270 nan 0.000 0.516 554 G N -0.448 108.326 108.800 -0.042 0.000 2.163 554 G HA2 0.156 4.111 3.960 -0.009 0.000 0.191 554 G HA3 0.156 4.111 3.960 -0.009 0.000 0.191 554 G C -1.680 173.191 174.900 -0.047 0.000 1.517 554 G CA -0.479 44.593 45.100 -0.046 0.000 1.024 554 G HN 0.179 nan 8.290 nan 0.000 0.664 555 V N 4.129 124.021 119.914 -0.036 0.000 2.304 555 V HA 0.263 4.378 4.120 -0.009 0.000 0.262 555 V C 0.153 176.224 176.094 -0.038 0.000 1.061 555 V CA -0.544 61.734 62.300 -0.036 0.000 0.872 555 V CB 1.133 32.941 31.823 -0.025 0.000 1.077 555 V HN 0.670 nan 8.190 nan 0.000 0.480 556 Q N 5.359 125.129 119.800 -0.051 0.000 2.641 556 Q HA 0.135 4.470 4.340 -0.009 0.000 0.225 556 Q C 1.149 177.117 176.000 -0.053 0.000 1.309 556 Q CA 0.007 55.781 55.803 -0.049 0.000 0.935 556 Q CB -0.002 28.698 28.738 -0.063 0.000 1.557 556 Q HN 0.847 nan 8.270 nan 0.000 0.563 557 R N -0.649 119.828 120.500 -0.037 0.000 2.282 557 R HA 0.201 4.536 4.340 -0.009 0.000 0.195 557 R C -0.136 176.149 176.300 -0.025 0.000 0.909 557 R CA -0.071 56.008 56.100 -0.035 0.000 1.039 557 R CB 0.420 30.704 30.300 -0.026 0.000 1.015 557 R HN 0.100 nan 8.270 nan 0.000 0.513 558 N N 1.364 120.054 118.700 -0.018 0.000 2.430 558 N HA 0.168 4.903 4.740 -0.009 0.000 0.298 558 N C -0.842 174.672 175.510 0.006 0.000 1.130 558 N CA -0.610 52.436 53.050 -0.008 0.000 0.894 558 N CB 1.825 40.306 38.487 -0.010 0.000 1.209 558 N HN 0.201 nan 8.380 nan 0.000 0.503 559 S N -0.001 115.710 115.700 0.017 0.000 2.601 559 S HA 0.706 5.171 4.470 -0.009 0.000 0.271 559 S C 0.069 174.691 174.600 0.036 0.000 1.305 559 S CA -0.550 57.678 58.200 0.046 0.000 1.022 559 S CB 0.244 63.476 63.200 0.053 0.000 0.940 559 S HN 0.435 nan 8.310 nan 0.000 0.525 560 I N 0.854 121.467 120.570 0.072 0.000 2.769 560 I HA 0.428 4.593 4.170 -0.009 0.000 0.298 560 I C -1.161 174.963 176.117 0.011 0.000 1.128 560 I CA -0.899 60.397 61.300 -0.006 0.000 1.031 560 I CB 2.312 40.279 38.000 -0.055 0.000 1.235 560 I HN 0.518 nan 8.210 nan 0.000 0.423 561 D N 3.218 123.537 120.400 -0.135 0.000 2.185 561 D HA 0.491 5.126 4.640 -0.009 0.000 0.247 561 D C -1.337 174.808 176.300 -0.259 0.000 1.027 561 D CA -0.000 53.963 54.000 -0.062 0.000 0.861 561 D CB 1.683 42.459 40.800 -0.040 0.000 1.202 561 D HN 0.203 nan 8.370 nan 0.000 0.453 562 Y N 0.227 120.528 120.300 0.001 0.000 2.462 562 Y HA 0.311 4.855 4.550 -0.010 0.000 0.346 562 Y C 0.503 176.380 175.900 -0.039 0.000 0.976 562 Y CA -0.846 57.252 58.100 -0.002 0.000 1.044 562 Y CB 1.634 40.102 38.460 0.014 0.000 1.230 562 Y HN 0.102 nan 8.280 nan 0.000 0.455 563 N N 2.234 120.977 118.700 0.071 0.000 2.609 563 N HA 0.320 5.054 4.740 -0.009 0.000 0.234 563 N C -1.391 174.009 175.510 -0.184 0.000 1.001 563 N CA -0.228 52.761 53.050 -0.101 0.000 0.926 563 N CB 1.555 39.947 38.487 -0.158 0.000 1.130 563 N HN 0.228 nan 8.380 nan 0.000 0.510 564 V N 3.231 123.048 119.914 -0.162 0.000 2.465 564 V HA 0.212 4.327 4.120 -0.009 0.000 0.279 564 V C -0.519 175.431 176.094 -0.241 0.000 1.045 564 V CA -0.365 61.876 62.300 -0.099 0.000 0.938 564 V CB 0.233 32.054 31.823 -0.004 0.000 0.986 564 V HN 0.446 nan 8.190 nan 0.000 0.467 565 Y N 4.758 125.073 120.300 0.025 0.000 2.385 565 Y HA 0.531 5.075 4.550 -0.009 0.000 0.341 565 Y C 0.174 176.063 175.900 -0.018 0.000 0.965 565 Y CA -0.830 57.274 58.100 0.008 0.000 1.180 565 Y CB 0.987 39.450 38.460 0.005 0.000 1.139 565 Y HN 0.347 nan 8.280 nan 0.000 0.502 566 I N 3.726 124.349 120.570 0.088 0.000 2.339 566 I HA 0.318 4.483 4.170 -0.009 0.000 0.290 566 I C -0.204 175.925 176.117 0.021 0.000 0.994 566 I CA -0.806 60.498 61.300 0.006 0.000 1.191 566 I CB 1.490 39.495 38.000 0.009 0.000 1.343 566 I HN 0.673 nan 8.210 nan 0.000 0.458 567 E N 8.432 128.613 120.200 -0.031 0.000 2.256 567 E HA 0.510 4.854 4.350 -0.009 0.000 0.268 567 E C -2.764 173.760 176.600 -0.126 0.000 0.877 567 E CA -1.954 54.425 56.400 -0.035 0.000 0.757 567 E CB 3.074 32.758 29.700 -0.027 0.000 1.183 567 E HN 0.210 nan 8.360 nan 0.000 0.418 568 P HA 0.266 nan 4.420 nan 0.000 0.280 568 P C -0.848 176.225 177.300 -0.378 0.000 1.244 568 P CA -0.291 62.562 63.100 -0.413 0.000 0.784 568 P CB 0.574 32.068 31.700 -0.343 0.000 0.913 569 I N 3.558 123.816 120.570 -0.520 0.000 2.500 569 I HA 0.273 4.437 4.170 -0.009 0.000 0.286 569 I C -0.306 175.606 176.117 -0.341 0.000 1.063 569 I CA -0.746 60.369 61.300 -0.309 0.000 1.062 569 I CB 0.872 38.724 38.000 -0.246 0.000 1.223 569 I HN 0.199 nan 8.210 nan 0.000 0.435 570 F N 5.812 125.663 119.950 -0.165 0.000 2.506 570 F HA 0.084 4.605 4.527 -0.009 0.000 0.371 570 F C 1.671 177.473 175.800 0.003 0.000 1.078 570 F CA 0.234 58.179 58.000 -0.093 0.000 1.195 570 F CB -0.005 38.948 39.000 -0.078 0.000 1.099 570 F HN 0.532 nan 8.300 nan 0.000 0.548 571 Y N 3.270 123.640 120.300 0.118 0.000 1.807 571 Y HA -0.587 3.958 4.550 -0.009 0.000 0.160 571 Y C 2.250 178.247 175.900 0.161 0.000 1.054 571 Y CA 2.445 60.678 58.100 0.223 0.000 0.792 571 Y CB -0.476 38.057 38.460 0.122 0.000 0.659 571 Y HN 0.640 nan 8.280 nan 0.000 0.624 572 N N 0.665 119.049 118.700 -0.526 0.000 2.158 572 N HA 0.038 4.773 4.740 -0.009 0.000 0.190 572 N C -0.266 175.110 175.510 -0.223 0.000 1.060 572 N CA 1.644 54.328 53.050 -0.610 0.000 0.872 572 N CB -0.283 37.936 38.487 -0.447 0.000 1.055 572 N HN 0.749 nan 8.380 nan 0.000 0.452 573 D N -2.288 118.046 120.400 -0.109 0.000 2.713 573 D HA 0.188 4.822 4.640 -0.009 0.000 0.306 573 D C -1.549 174.708 176.300 -0.071 0.000 1.299 573 D CA -0.627 53.336 54.000 -0.063 0.000 0.823 573 D CB 0.843 41.599 40.800 -0.073 0.000 1.353 573 D HN -0.089 nan 8.370 nan 0.000 0.447 574 K N 0.408 120.748 120.400 -0.101 0.000 2.187 574 K HA 0.245 4.560 4.320 -0.009 0.000 0.242 574 K C -0.602 175.930 176.600 -0.113 0.000 1.179 574 K CA -0.225 55.945 56.287 -0.196 0.000 1.097 574 K CB 0.333 32.666 32.500 -0.278 0.000 1.634 574 K HN 0.338 nan 8.250 nan 0.000 0.335 575 E N 1.284 121.435 120.200 -0.082 0.000 2.238 575 E HA 0.425 4.769 4.350 -0.009 0.000 0.267 575 E C -0.845 175.744 176.600 -0.019 0.000 0.887 575 E CA -0.790 55.590 56.400 -0.033 0.000 0.769 575 E CB 1.576 31.260 29.700 -0.028 0.000 1.187 575 E HN 0.472 nan 8.360 nan 0.000 0.416 576 A N 3.404 126.231 122.820 0.011 0.000 2.492 576 A HA 0.181 4.496 4.320 -0.009 0.000 0.236 576 A C -0.043 177.549 177.584 0.013 0.000 1.078 576 A CA 0.819 52.869 52.037 0.023 0.000 0.773 576 A CB 0.041 19.061 19.000 0.034 0.000 1.023 576 A HN 0.905 nan 8.150 nan 0.000 0.504 577 D N -0.210 120.201 120.400 0.019 0.000 3.830 577 D HA -0.088 4.547 4.640 -0.009 0.000 0.247 577 D C -1.837 174.474 176.300 0.018 0.000 1.073 577 D CA 0.774 54.785 54.000 0.018 0.000 1.116 577 D CB -0.522 40.287 40.800 0.014 0.000 0.909 577 D HN 0.313 nan 8.370 nan 0.000 0.418 578 P HA 0.209 nan 4.420 nan 0.000 0.259 578 P C 0.354 177.674 177.300 0.033 0.000 1.233 578 P CA 0.652 63.772 63.100 0.034 0.000 0.827 578 P CB 0.239 31.966 31.700 0.045 0.000 1.154 579 K N 1.617 122.028 120.400 0.019 0.000 2.455 579 K HA 0.027 4.341 4.320 -0.009 0.000 0.269 579 K C 0.636 177.197 176.600 -0.066 0.000 0.972 579 K CA 1.013 57.285 56.287 -0.026 0.000 0.938 579 K CB -0.671 31.806 32.500 -0.038 0.000 0.931 579 K HN 0.315 nan 8.250 nan 0.000 0.507 580 D N -1.108 119.174 120.400 -0.197 0.000 2.440 580 D HA 0.172 4.807 4.640 -0.009 0.000 0.216 580 D C 0.295 176.415 176.300 -0.301 0.000 1.150 580 D CA 0.434 54.187 54.000 -0.411 0.000 0.832 580 D CB -0.762 39.481 40.800 -0.928 0.000 0.992 580 D HN 1.086 nan 8.370 nan 0.000 0.502 581 K N 0.569 120.926 120.400 -0.071 0.000 4.868 581 K HA -0.219 4.096 4.320 -0.009 0.000 0.314 581 K C -0.031 176.504 176.600 -0.108 0.000 0.932 581 K CA 0.401 56.670 56.287 -0.031 0.000 0.998 581 K CB -3.129 29.403 32.500 0.052 0.000 1.704 581 K HN 0.286 nan 8.250 nan 0.000 0.426 582 F N 1.232 121.091 119.950 -0.151 0.000 2.637 582 F HA 0.005 4.527 4.527 -0.009 0.000 0.372 582 F C 1.683 177.459 175.800 -0.040 0.000 1.107 582 F CA 1.869 59.813 58.000 -0.093 0.000 1.325 582 F CB 0.383 39.356 39.000 -0.046 0.000 1.016 582 F HN 0.876 nan 8.300 nan 0.000 0.593 583 N N 3.586 122.417 118.700 0.218 0.000 2.586 583 N HA -0.272 4.463 4.740 -0.009 0.000 0.282 583 N C -0.535 175.041 175.510 0.111 0.000 1.171 583 N CA -0.178 52.986 53.050 0.190 0.000 0.733 583 N CB -0.931 37.661 38.487 0.175 0.000 0.910 583 N HN 0.530 nan 8.380 nan 0.000 0.548 584 F N 2.725 122.808 119.950 0.222 0.000 2.705 584 F HA 0.173 4.695 4.527 -0.009 0.000 0.355 584 F C 0.762 176.609 175.800 0.078 0.000 1.172 584 F CA -0.291 57.813 58.000 0.174 0.000 1.332 584 F CB -0.485 38.669 39.000 0.257 0.000 1.621 584 F HN 0.304 nan 8.300 nan 0.000 0.605 585 N N 0.959 119.738 118.700 0.131 0.000 2.969 585 N HA -0.182 4.553 4.740 -0.009 0.000 0.309 585 N C -0.869 174.709 175.510 0.113 0.000 1.102 585 N CA -0.288 52.799 53.050 0.061 0.000 0.802 585 N CB -0.118 38.396 38.487 0.045 0.000 0.990 585 N HN 0.037 nan 8.380 nan 0.000 0.611 586 V N 3.262 123.228 119.914 0.087 0.000 2.304 586 V HA 0.204 4.319 4.120 -0.009 0.000 0.262 586 V C 0.521 176.650 176.094 0.059 0.000 1.061 586 V CA -0.190 62.175 62.300 0.109 0.000 0.872 586 V CB 0.563 32.471 31.823 0.141 0.000 1.077 586 V HN 0.414 nan 8.190 nan 0.000 0.480 587 R N 5.270 125.811 120.500 0.070 0.000 2.387 587 R HA 0.809 5.144 4.340 -0.009 0.000 0.314 587 R C -1.166 175.159 176.300 0.042 0.000 0.958 587 R CA -0.630 55.492 56.100 0.038 0.000 0.846 587 R CB 1.685 32.100 30.300 0.191 0.000 1.147 587 R HN 0.615 nan 8.270 nan 0.000 0.447 588 L N -0.097 121.088 121.223 -0.064 0.000 2.415 588 L HA 0.644 4.978 4.340 -0.009 0.000 0.256 588 L C -0.889 175.963 176.870 -0.029 0.000 1.010 588 L CA -1.285 53.535 54.840 -0.033 0.000 0.826 588 L CB 1.519 43.516 42.059 -0.103 0.000 1.405 588 L HN 0.507 nan 8.230 nan 0.000 0.410 589 N N 0.676 119.402 118.700 0.042 0.000 2.404 589 N HA 0.798 5.532 4.740 -0.009 0.000 0.297 589 N C -1.429 174.087 175.510 0.010 0.000 1.163 589 N CA -0.579 52.515 53.050 0.073 0.000 0.864 589 N CB 1.644 40.206 38.487 0.125 0.000 1.247 589 N HN 0.600 nan 8.380 nan 0.000 0.510 590 L N 0.701 121.924 121.223 -0.000 0.000 2.349 590 L HA 0.521 4.856 4.340 -0.009 0.000 0.278 590 L C -1.042 175.820 176.870 -0.014 0.000 0.996 590 L CA -0.492 54.315 54.840 -0.054 0.000 0.825 590 L CB 1.412 43.419 42.059 -0.086 0.000 1.243 590 L HN 0.594 nan 8.230 nan 0.000 0.412 591 I N 2.847 123.418 120.570 0.001 0.000 2.362 591 I HA 0.630 4.795 4.170 -0.009 0.000 0.289 591 I C 0.389 176.475 176.117 -0.051 0.000 0.994 591 I CA -0.354 60.949 61.300 0.004 0.000 1.158 591 I CB 1.823 39.865 38.000 0.070 0.000 1.315 591 I HN 0.675 nan 8.210 nan 0.000 0.451 592 A N 3.995 126.767 122.820 -0.080 0.000 2.440 592 A HA 0.306 4.621 4.320 -0.009 0.000 0.251 592 A C 1.331 178.825 177.584 -0.149 0.000 1.089 592 A CA 0.174 52.129 52.037 -0.136 0.000 0.779 592 A CB 0.500 19.405 19.000 -0.158 0.000 1.022 592 A HN 0.767 nan 8.150 nan 0.000 0.492 593 S N 1.159 116.746 115.700 -0.189 0.000 2.402 593 S HA -0.037 4.428 4.470 -0.009 0.000 0.229 593 S C 0.855 175.330 174.600 -0.208 0.000 1.021 593 S CA 1.372 59.470 58.200 -0.171 0.000 0.974 593 S CB -0.237 62.861 63.200 -0.170 0.000 0.800 593 S HN 0.775 nan 8.310 nan 0.000 0.484 594 Q N -1.029 118.559 119.800 -0.353 0.000 2.501 594 Q HA 0.316 4.651 4.340 -0.009 0.000 0.288 594 Q C -2.342 173.395 176.000 -0.438 0.000 1.051 594 Q CA -1.925 53.639 55.803 -0.399 0.000 0.788 594 Q CB 1.724 30.143 28.738 -0.530 0.000 1.469 594 Q HN -0.023 nan 8.270 nan 0.000 0.416 595 P HA -0.142 nan 4.420 nan 0.000 0.218 595 P C 0.781 178.043 177.300 -0.063 0.000 1.148 595 P CA 1.352 64.395 63.100 -0.095 0.000 0.822 595 P CB -0.033 31.687 31.700 0.034 0.000 0.784 596 W N -1.243 120.047 121.300 -0.017 0.000 3.077 596 W HA 0.265 4.922 4.660 -0.005 0.000 0.245 596 W C -0.714 175.799 176.519 -0.009 0.000 1.316 596 W CA -0.022 57.311 57.345 -0.019 0.000 1.537 596 W CB -0.847 28.589 29.460 -0.039 0.000 1.131 596 W HN -0.282 nan 8.180 nan 0.000 0.695 597 V N 2.560 122.314 119.914 -0.266 0.000 2.459 597 V HA 0.314 4.428 4.120 -0.009 0.000 0.295 597 V C -0.505 175.520 176.094 -0.115 0.000 1.029 597 V CA -0.477 61.710 62.300 -0.190 0.000 0.874 597 V CB 1.607 33.200 31.823 -0.384 0.000 0.985 597 V HN -0.089 nan 8.190 nan 0.000 0.438 598 Q N 3.325 123.104 119.800 -0.035 0.000 2.372 598 Q HA 0.834 5.169 4.340 -0.009 0.000 0.273 598 Q C -0.875 175.120 176.000 -0.008 0.000 1.078 598 Q CA -0.479 55.312 55.803 -0.020 0.000 0.806 598 Q CB 2.635 31.378 28.738 0.009 0.000 1.332 598 Q HN 1.039 nan 8.270 nan 0.000 0.435 599 C N -1.680 117.613 119.300 -0.013 0.000 3.275 599 C HA 0.886 5.341 4.460 -0.009 0.000 0.340 599 C C 0.653 175.643 174.990 0.001 0.000 1.366 599 C CA -0.659 58.356 59.018 -0.004 0.000 1.227 599 C CB 0.210 27.942 27.740 -0.015 0.000 1.512 599 C HN 0.990 nan 8.230 nan 0.000 0.461 600 G N -0.093 108.714 108.800 0.011 0.000 2.794 600 G HA2 0.512 4.466 3.960 -0.009 0.000 0.249 600 G HA3 0.512 4.466 3.960 -0.009 0.000 0.249 600 G C 0.812 175.733 174.900 0.034 0.000 1.236 600 G CA 0.218 45.336 45.100 0.031 0.000 0.880 600 G HN 2.138 nan 8.290 nan 0.000 0.586 601 A N -0.658 122.205 122.820 0.072 0.000 2.431 601 A HA 0.582 4.897 4.320 -0.009 0.000 0.239 601 A C -0.042 177.646 177.584 0.173 0.000 1.230 601 A CA -0.071 52.015 52.037 0.082 0.000 0.928 601 A CB 0.199 19.236 19.000 0.061 0.000 1.006 601 A HN 0.614 nan 8.150 nan 0.000 0.520 602 F N -1.089 118.859 119.950 -0.004 0.000 2.599 602 F HA 0.741 5.262 4.527 -0.009 0.000 0.311 602 F C -1.678 174.129 175.800 0.013 0.000 1.076 602 F CA -1.874 56.128 58.000 0.004 0.000 0.937 602 F CB 2.060 41.064 39.000 0.007 0.000 1.282 602 F HN -0.054 nan 8.300 nan 0.000 0.460 603 L N 4.512 125.128 121.223 -1.011 0.000 2.751 603 L HA 0.354 4.689 4.340 -0.009 0.000 0.261 603 L C -2.120 174.275 176.870 -0.791 0.000 0.927 603 L CA -0.268 54.157 54.840 -0.691 0.000 0.968 603 L CB 1.579 43.477 42.059 -0.268 0.000 1.432 603 L HN 0.623 nan 8.230 nan 0.000 0.439 604 D N 4.066 124.124 120.400 -0.569 0.000 2.349 604 D HA 0.428 5.063 4.640 -0.009 0.000 0.232 604 D C 0.128 176.367 176.300 -0.101 0.000 1.071 604 D CA -0.186 53.639 54.000 -0.291 0.000 0.832 604 D CB 1.574 42.301 40.800 -0.122 0.000 1.086 604 D HN 0.476 nan 8.370 nan 0.000 0.504 605 L N 2.845 124.040 121.223 -0.047 0.000 2.640 605 L HA 0.055 4.389 4.340 -0.009 0.000 0.230 605 L C 2.316 179.199 176.870 0.022 0.000 1.123 605 L CA 0.292 55.145 54.840 0.021 0.000 0.900 605 L CB -0.700 41.402 42.059 0.072 0.000 1.146 605 L HN 0.471 nan 8.230 nan 0.000 0.484 606 S N -0.677 114.992 115.700 -0.051 0.000 2.392 606 S HA -0.263 4.201 4.470 -0.009 0.000 0.232 606 S C 1.244 175.746 174.600 -0.164 0.000 1.041 606 S CA 1.369 59.472 58.200 -0.162 0.000 1.026 606 S CB -0.763 62.217 63.200 -0.367 0.000 0.845 606 S HN 0.515 nan 8.310 nan 0.000 0.465 607 Y N 2.619 122.980 120.300 0.101 0.000 2.764 607 Y HA 0.526 5.071 4.550 -0.009 0.000 0.350 607 Y C 1.417 177.371 175.900 0.090 0.000 0.982 607 Y CA -0.313 57.849 58.100 0.103 0.000 1.431 607 Y CB 0.242 38.755 38.460 0.089 0.000 1.326 607 Y HN 0.634 nan 8.280 nan 0.000 0.550 608 G N -0.042 108.882 108.800 0.205 0.000 2.512 608 G HA2 -0.228 3.726 3.960 -0.009 0.000 0.210 608 G HA3 -0.228 3.726 3.960 -0.009 0.000 0.210 608 G C -0.491 174.472 174.900 0.106 0.000 1.295 608 G CA -0.847 44.340 45.100 0.146 0.000 0.934 608 G HN 0.098 nan 8.290 nan 0.000 0.554 609 T N 0.886 115.495 114.554 0.092 0.000 2.888 609 T HA 0.517 4.861 4.350 -0.009 0.000 0.301 609 T C 0.529 175.300 174.700 0.117 0.000 1.001 609 T CA 0.731 62.887 62.100 0.093 0.000 1.147 609 T CB 1.097 70.017 68.868 0.087 0.000 0.931 609 T HN 0.754 nan 8.240 nan 0.000 0.541 610 R N 1.806 122.372 120.500 0.111 0.000 2.575 610 R HA 0.511 4.845 4.340 -0.009 0.000 0.293 610 R C -0.510 175.822 176.300 0.053 0.000 0.983 610 R CA -0.408 55.742 56.100 0.083 0.000 0.887 610 R CB 1.650 31.976 30.300 0.043 0.000 1.184 610 R HN 0.614 nan 8.270 nan 0.000 0.445 611 S N 4.164 119.863 115.700 -0.001 0.000 2.585 611 S HA 0.648 5.113 4.470 -0.009 0.000 0.277 611 S C -0.430 174.085 174.600 -0.143 0.000 1.241 611 S CA -0.696 57.385 58.200 -0.199 0.000 1.041 611 S CB 0.421 63.440 63.200 -0.302 0.000 0.987 611 S HN 0.577 nan 8.310 nan 0.000 0.512 612 I N 2.624 123.086 120.570 -0.179 0.000 2.644 612 I HA 0.680 4.845 4.170 -0.009 0.000 0.291 612 I C -0.808 175.260 176.117 -0.083 0.000 1.180 612 I CA -0.794 60.451 61.300 -0.093 0.000 1.040 612 I CB 1.541 39.511 38.000 -0.050 0.000 1.255 612 I HN 0.769 nan 8.210 nan 0.000 0.422 613 A N 6.987 129.780 122.820 -0.045 0.000 2.309 613 A HA 0.717 5.032 4.320 -0.009 0.000 0.298 613 A C -0.608 176.988 177.584 0.020 0.000 1.165 613 A CA -0.298 51.732 52.037 -0.011 0.000 0.821 613 A CB 1.178 20.173 19.000 -0.008 0.000 1.102 613 A HN 1.143 nan 8.150 nan 0.000 0.500 614 V N 0.579 120.533 119.914 0.066 0.000 2.709 614 V HA 0.825 4.940 4.120 -0.009 0.000 0.308 614 V C -0.512 175.669 176.094 0.145 0.000 1.062 614 V CA -0.949 61.395 62.300 0.074 0.000 0.901 614 V CB 1.556 33.403 31.823 0.041 0.000 1.003 614 V HN 1.056 nan 8.190 nan 0.000 0.425 615 R N 3.346 123.911 120.500 0.108 0.000 2.445 615 R HA 0.818 5.152 4.340 -0.009 0.000 0.308 615 R C -1.730 174.663 176.300 0.156 0.000 0.961 615 R CA -0.526 55.659 56.100 0.141 0.000 0.862 615 R CB 2.083 32.436 30.300 0.088 0.000 1.144 615 R HN 0.749 nan 8.270 nan 0.000 0.447 616 V N 3.874 123.925 119.914 0.229 0.000 2.398 616 V HA 0.186 4.301 4.120 -0.009 0.000 0.286 616 V C -0.655 175.580 176.094 0.234 0.000 1.026 616 V CA -0.594 61.868 62.300 0.270 0.000 0.868 616 V CB 1.530 33.534 31.823 0.302 0.000 0.982 616 V HN 0.758 nan 8.190 nan 0.000 0.443 617 D N 6.632 127.191 120.400 0.265 0.000 2.485 617 D HA 0.426 5.061 4.640 -0.009 0.000 0.229 617 D C -1.852 174.476 176.300 0.046 0.000 1.101 617 D CA -1.982 52.107 54.000 0.150 0.000 0.906 617 D CB 1.971 42.858 40.800 0.145 0.000 1.019 617 D HN 0.228 nan 8.370 nan 0.000 0.516 618 P HA 0.027 nan 4.420 nan 0.000 0.240 618 P C 1.105 178.292 177.300 -0.187 0.000 1.190 618 P CA 0.352 63.336 63.100 -0.192 0.000 0.781 618 P CB 0.354 31.983 31.700 -0.119 0.000 0.931 619 T N -0.863 113.630 114.554 -0.102 0.000 2.737 619 T HA -0.133 4.212 4.350 -0.009 0.000 0.269 619 T C 2.004 176.640 174.700 -0.107 0.000 1.040 619 T CA 1.945 63.997 62.100 -0.081 0.000 1.142 619 T CB -1.091 67.754 68.868 -0.038 0.000 0.861 619 T HN 0.226 nan 8.240 nan 0.000 0.456 620 G N 0.688 109.404 108.800 -0.139 0.000 2.683 620 G HA2 0.263 4.218 3.960 -0.009 0.000 0.213 620 G HA3 0.263 4.218 3.960 -0.009 0.000 0.213 620 G C 0.430 175.190 174.900 -0.233 0.000 1.142 620 G CA -0.311 44.704 45.100 -0.142 0.000 0.793 620 G HN 0.417 nan 8.290 nan 0.000 0.534 621 L N 1.847 122.833 121.223 -0.394 0.000 2.410 621 L HA 0.216 4.551 4.340 -0.009 0.000 0.273 621 L C 0.038 176.725 176.870 -0.305 0.000 1.144 621 L CA -0.539 53.939 54.840 -0.603 0.000 0.863 621 L CB 0.755 42.180 42.059 -1.056 0.000 1.140 621 L HN 0.105 nan 8.230 nan 0.000 0.463 622 Q N 3.769 123.481 119.800 -0.148 0.000 2.299 622 Q HA 0.340 4.675 4.340 -0.009 0.000 0.246 622 Q C -2.134 173.933 176.000 0.110 0.000 0.935 622 Q CA -2.130 53.678 55.803 0.008 0.000 0.887 622 Q CB 0.438 29.206 28.738 0.051 0.000 1.223 622 Q HN 0.311 nan 8.270 nan 0.000 0.439 623 P HA 0.030 nan 4.420 nan 0.000 0.265 623 P C 0.059 177.342 177.300 -0.028 0.000 1.167 623 P CA 1.216 64.236 63.100 -0.134 0.000 0.760 623 P CB 0.251 31.661 31.700 -0.482 0.000 0.783 624 G N 0.144 108.929 108.800 -0.024 0.000 2.353 624 G HA2 0.035 3.990 3.960 -0.009 0.000 0.615 624 G HA3 0.035 3.990 3.960 -0.009 0.000 0.615 624 G C -1.429 173.323 174.900 -0.246 0.000 1.280 624 G CA -0.441 44.689 45.100 0.050 0.000 1.000 624 G HN 0.609 nan 8.290 nan 0.000 0.516 625 V N 0.733 120.496 119.914 -0.253 0.000 2.481 625 V HA 0.804 4.918 4.120 -0.009 0.000 0.286 625 V C -0.336 175.522 176.094 -0.393 0.000 1.042 625 V CA -0.466 61.634 62.300 -0.332 0.000 0.928 625 V CB 1.020 32.753 31.823 -0.150 0.000 0.986 625 V HN 0.935 nan 8.190 nan 0.000 0.462 626 H N 3.236 122.326 119.070 0.034 0.000 2.600 626 H HA 0.695 5.245 4.556 -0.010 0.000 0.357 626 H C -0.407 175.088 175.328 0.277 0.000 1.106 626 H CA -0.456 55.653 56.048 0.102 0.000 1.193 626 H CB 1.984 31.660 29.762 -0.143 0.000 1.594 626 H HN 0.665 nan 8.280 nan 0.000 0.526 627 S N 1.099 117.058 115.700 0.433 0.000 2.607 627 S HA 0.944 5.409 4.470 -0.009 0.000 0.303 627 S C -0.677 174.105 174.600 0.304 0.000 1.086 627 S CA -0.488 57.925 58.200 0.355 0.000 0.995 627 S CB 1.881 65.183 63.200 0.171 0.000 1.084 627 S HN 0.841 nan 8.310 nan 0.000 0.507 628 A N 0.741 123.631 122.820 0.117 0.000 2.586 628 A HA 0.847 5.162 4.320 -0.009 0.000 0.290 628 A C -1.471 176.041 177.584 -0.120 0.000 1.086 628 A CA -0.714 51.246 52.037 -0.129 0.000 0.665 628 A CB 1.169 19.834 19.000 -0.558 0.000 1.279 628 A HN 1.287 nan 8.150 nan 0.000 0.423 629 V N 0.413 120.231 119.914 -0.159 0.000 3.012 629 V HA 0.729 4.844 4.120 -0.009 0.000 0.307 629 V C -1.688 174.320 176.094 -0.144 0.000 1.166 629 V CA -0.692 61.534 62.300 -0.123 0.000 0.974 629 V CB 1.846 33.610 31.823 -0.098 0.000 1.040 629 V HN 0.827 nan 8.190 nan 0.000 0.428 630 I N 6.107 126.598 120.570 -0.131 0.000 2.347 630 I HA 0.503 4.668 4.170 -0.009 0.000 0.283 630 I C 0.404 176.393 176.117 -0.213 0.000 1.058 630 I CA -0.482 60.730 61.300 -0.147 0.000 1.202 630 I CB 0.947 38.874 38.000 -0.121 0.000 1.386 630 I HN 0.586 nan 8.210 nan 0.000 0.475 631 R N 4.358 124.717 120.500 -0.235 0.000 2.490 631 R HA 0.684 5.019 4.340 -0.009 0.000 0.280 631 R C -0.136 175.819 176.300 -0.576 0.000 1.077 631 R CA -0.374 55.473 56.100 -0.421 0.000 1.065 631 R CB 1.101 31.178 30.300 -0.372 0.000 1.003 631 R HN 0.655 nan 8.270 nan 0.000 0.470 632 A N 2.879 125.140 122.820 -0.931 0.000 2.342 632 A HA 0.621 4.935 4.320 -0.009 0.000 0.323 632 A C -1.424 175.623 177.584 -0.894 0.000 1.125 632 A CA -0.606 50.910 52.037 -0.868 0.000 0.785 632 A CB 0.753 19.004 19.000 -1.248 0.000 1.221 632 A HN 0.648 nan 8.150 nan 0.000 0.463 633 Y N 0.092 120.205 120.300 -0.312 0.000 2.524 633 Y HA 0.423 4.967 4.550 -0.009 0.000 0.344 633 Y C 0.052 175.861 175.900 -0.151 0.000 1.012 633 Y CA -0.896 57.079 58.100 -0.208 0.000 1.068 633 Y CB 1.488 39.866 38.460 -0.136 0.000 1.249 633 Y HN 0.709 nan 8.280 nan 0.000 0.468 634 D N 0.745 121.178 120.400 0.055 0.000 2.346 634 D HA 0.060 4.694 4.640 -0.009 0.000 0.260 634 D C 0.886 177.235 176.300 0.082 0.000 1.252 634 D CA 0.556 54.589 54.000 0.055 0.000 0.895 634 D CB 1.079 41.915 40.800 0.060 0.000 1.097 634 D HN 0.650 nan 8.370 nan 0.000 0.489 635 T N 3.148 117.758 114.554 0.094 0.000 2.653 635 T HA -0.244 4.101 4.350 -0.009 0.000 0.267 635 T C 0.837 175.577 174.700 0.068 0.000 1.037 635 T CA 1.842 64.003 62.100 0.101 0.000 1.159 635 T CB -0.164 68.801 68.868 0.162 0.000 0.859 635 T HN 0.531 nan 8.240 nan 0.000 0.449 636 D N 0.251 120.694 120.400 0.072 0.000 2.049 636 D HA -0.036 4.598 4.640 -0.009 0.000 0.233 636 D C 1.191 177.517 176.300 0.044 0.000 0.994 636 D CA 0.595 54.630 54.000 0.057 0.000 0.925 636 D CB -0.982 39.859 40.800 0.069 0.000 1.146 636 D HN 0.338 nan 8.370 nan 0.000 0.472 637 C N 2.212 121.544 119.300 0.053 0.000 2.428 637 C HA 0.185 4.639 4.460 -0.009 0.000 0.362 637 C C 1.654 176.666 174.990 0.037 0.000 1.114 637 C CA -0.501 58.544 59.018 0.047 0.000 1.473 637 C CB -1.646 26.134 27.740 0.067 0.000 2.003 637 C HN 0.093 nan 8.230 nan 0.000 0.526 638 V N 5.013 124.934 119.914 0.012 0.000 3.510 638 V HA -0.059 4.056 4.120 -0.009 0.000 0.270 638 V C 2.042 178.127 176.094 -0.016 0.000 1.201 638 V CA 1.137 63.427 62.300 -0.016 0.000 1.166 638 V CB -0.907 30.844 31.823 -0.119 0.000 0.825 638 V HN 0.897 nan 8.190 nan 0.000 0.484 639 Q N -0.071 119.729 119.800 0.001 0.000 2.319 639 Q HA 0.091 4.426 4.340 -0.009 0.000 0.202 639 Q C 1.660 177.616 176.000 -0.073 0.000 0.896 639 Q CA 0.047 55.852 55.803 0.003 0.000 0.942 639 Q CB 0.196 28.961 28.738 0.045 0.000 1.083 639 Q HN 0.567 nan 8.270 nan 0.000 0.510 640 K N 0.093 120.405 120.400 -0.146 0.000 2.555 640 K HA 0.080 4.394 4.320 -0.009 0.000 0.193 640 K C 0.583 177.095 176.600 -0.146 0.000 1.032 640 K CA 0.393 56.435 56.287 -0.408 0.000 1.004 640 K CB 0.136 32.496 32.500 -0.234 0.000 0.804 640 K HN 0.323 nan 8.250 nan 0.000 0.496 641 G N 1.553 110.370 108.800 0.028 0.000 2.860 641 G HA2 -0.271 3.684 3.960 -0.009 0.000 0.553 641 G HA3 -0.271 3.684 3.960 -0.009 0.000 0.553 641 G C -0.260 174.652 174.900 0.021 0.000 1.439 641 G CA -0.385 44.794 45.100 0.131 0.000 0.879 641 G HN 0.307 nan 8.290 nan 0.000 0.545 642 S N -0.397 115.178 115.700 -0.209 0.000 2.549 642 S HA 0.380 4.844 4.470 -0.009 0.000 0.286 642 S C 1.750 176.122 174.600 -0.380 0.000 1.314 642 S CA 0.134 57.928 58.200 -0.677 0.000 1.062 642 S CB 1.246 64.030 63.200 -0.694 0.000 0.865 642 S HN 0.830 nan 8.310 nan 0.000 0.498 643 L N 0.945 121.897 121.223 -0.453 0.000 2.102 643 L HA 0.204 4.539 4.340 -0.009 0.000 0.202 643 L C 0.652 177.475 176.870 -0.078 0.000 1.076 643 L CA 0.907 55.611 54.840 -0.225 0.000 0.761 643 L CB -0.354 41.518 42.059 -0.311 0.000 0.921 643 L HN 0.848 nan 8.230 nan 0.000 0.444 644 F N -2.034 117.722 119.950 -0.323 0.000 2.824 644 F HA 0.701 5.222 4.527 -0.009 0.000 0.330 644 F C -0.926 174.754 175.800 -0.199 0.000 1.175 644 F CA -1.331 56.549 58.000 -0.200 0.000 0.974 644 F CB 1.244 40.152 39.000 -0.153 0.000 1.430 644 F HN -0.265 nan 8.300 nan 0.000 0.507 645 E N 0.643 120.895 120.200 0.087 0.000 2.367 645 E HA 0.563 4.907 4.350 -0.009 0.000 0.273 645 E C -1.537 175.126 176.600 0.106 0.000 0.903 645 E CA -0.825 55.559 56.400 -0.026 0.000 0.764 645 E CB 3.303 32.998 29.700 -0.008 0.000 1.252 645 E HN 0.549 nan 8.360 nan 0.000 0.446 646 I N 3.012 123.596 120.570 0.024 0.000 2.371 646 I HA 0.263 4.427 4.170 -0.009 0.000 0.282 646 I C -2.392 173.719 176.117 -0.011 0.000 1.031 646 I CA -2.232 59.091 61.300 0.039 0.000 1.180 646 I CB 1.154 39.174 38.000 0.033 0.000 1.336 646 I HN 0.082 nan 8.210 nan 0.000 0.467 647 P HA 0.091 nan 4.420 nan 0.000 0.280 647 P C -0.370 176.928 177.300 -0.003 0.000 1.300 647 P CA -0.159 62.940 63.100 -0.002 0.000 0.785 647 P CB 0.793 32.502 31.700 0.015 0.000 0.874 648 V N 1.605 121.516 119.914 -0.005 0.000 2.483 648 V HA 0.873 4.988 4.120 -0.009 0.000 0.295 648 V C -0.455 175.726 176.094 0.144 0.000 1.035 648 V CA -0.388 61.930 62.300 0.029 0.000 0.896 648 V CB 1.895 33.709 31.823 -0.015 0.000 0.986 648 V HN 0.520 nan 8.190 nan 0.000 0.447 649 T N 4.195 118.867 114.554 0.197 0.000 3.143 649 T HA 0.592 4.937 4.350 -0.009 0.000 0.312 649 T C -1.253 173.597 174.700 0.250 0.000 0.986 649 T CA -0.290 61.969 62.100 0.265 0.000 1.024 649 T CB 1.083 70.079 68.868 0.214 0.000 1.030 649 T HN 0.947 nan 8.240 nan 0.000 0.448 650 V N 5.338 125.369 119.914 0.195 0.000 2.459 650 V HA 0.652 4.767 4.120 -0.009 0.000 0.295 650 V C -0.122 175.941 176.094 -0.051 0.000 1.029 650 V CA -0.766 61.562 62.300 0.046 0.000 0.874 650 V CB 1.882 33.676 31.823 -0.047 0.000 0.985 650 V HN 0.786 nan 8.190 nan 0.000 0.438 651 V N 4.211 124.027 119.914 -0.164 0.000 2.357 651 V HA 0.417 4.531 4.120 -0.009 0.000 0.284 651 V C -0.276 175.692 176.094 -0.210 0.000 1.018 651 V CA -0.537 61.569 62.300 -0.323 0.000 0.841 651 V CB 1.555 33.076 31.823 -0.503 0.000 0.991 651 V HN 0.920 nan 8.190 nan 0.000 0.437 652 Q N 7.841 127.547 119.800 -0.156 0.000 2.400 652 Q HA 0.474 4.809 4.340 -0.009 0.000 0.255 652 Q C -2.746 173.184 176.000 -0.118 0.000 1.008 652 Q CA -1.870 53.869 55.803 -0.107 0.000 0.841 652 Q CB 1.943 30.642 28.738 -0.065 0.000 1.220 652 Q HN 0.415 nan 8.270 nan 0.000 0.474 653 P HA 0.126 nan 4.420 nan 0.000 0.278 653 P C -0.877 176.389 177.300 -0.056 0.000 1.238 653 P CA -0.249 62.829 63.100 -0.036 0.000 0.794 653 P CB 0.650 32.354 31.700 0.006 0.000 0.955 654 H N 0.419 119.554 119.070 0.108 0.000 2.848 654 H HA 0.137 4.685 4.556 -0.013 0.000 0.341 654 H C 0.061 175.446 175.328 0.096 0.000 1.060 654 H CA 0.151 56.282 56.048 0.138 0.000 1.444 654 H CB 0.387 30.297 29.762 0.247 0.000 1.446 654 H HN 0.132 nan 8.280 nan 0.000 0.583 655 V N 4.925 124.958 119.914 0.197 0.000 2.472 655 V HA 0.124 4.239 4.120 -0.009 0.000 0.290 655 V C -0.020 176.156 176.094 0.136 0.000 1.037 655 V CA -0.775 61.596 62.300 0.118 0.000 0.908 655 V CB 1.639 33.501 31.823 0.064 0.000 0.985 655 V HN 0.364 nan 8.190 nan 0.000 0.454 656 L N 4.037 125.318 121.223 0.096 0.000 2.319 656 L HA 0.442 4.777 4.340 -0.009 0.000 0.281 656 L C 0.280 177.182 176.870 0.053 0.000 1.005 656 L CA -0.190 54.712 54.840 0.104 0.000 0.828 656 L CB 1.251 43.396 42.059 0.144 0.000 1.227 656 L HN 0.634 nan 8.230 nan 0.000 0.415 657 E N 1.088 121.318 120.200 0.050 0.000 2.415 657 E HA 0.150 4.495 4.350 -0.009 0.000 0.263 657 E C -0.108 176.505 176.600 0.022 0.000 0.995 657 E CA 0.130 56.547 56.400 0.028 0.000 0.915 657 E CB 0.639 30.353 29.700 0.025 0.000 0.951 657 E HN 0.394 nan 8.360 nan 0.000 0.449 658 S N 2.516 118.221 115.700 0.008 0.000 2.542 658 S HA 0.167 4.631 4.470 -0.009 0.000 0.245 658 S C -0.681 173.917 174.600 -0.003 0.000 1.325 658 S CA -0.487 57.714 58.200 0.001 0.000 1.176 658 S CB 0.395 63.588 63.200 -0.013 0.000 1.045 658 S HN 0.580 nan 8.310 nan 0.000 0.481 659 D N 2.772 123.172 120.400 -0.000 0.000 2.846 659 D HA 0.106 4.741 4.640 -0.009 0.000 0.200 659 D C -0.018 176.280 176.300 -0.004 0.000 1.421 659 D CA 0.191 54.189 54.000 -0.004 0.000 1.400 659 D CB 0.172 40.970 40.800 -0.003 0.000 1.461 659 D HN 0.562 nan 8.370 nan 0.000 0.352 660 Q N 1.613 121.412 119.800 -0.002 0.000 2.337 660 Q HA 0.304 4.639 4.340 -0.009 0.000 0.255 660 Q C -0.283 175.715 176.000 -0.002 0.000 0.997 660 Q CA -0.119 55.682 55.803 -0.003 0.000 0.925 660 Q CB 0.160 28.896 28.738 -0.003 0.000 1.212 660 Q HN 0.261 nan 8.270 nan 0.000 0.436 661 N N 0.916 119.613 118.700 -0.004 0.000 6.352 661 N HA -0.212 4.523 4.740 -0.009 0.000 0.401 661 N C -0.910 174.597 175.510 -0.006 0.000 0.961 661 N CA 1.024 54.071 53.050 -0.006 0.000 1.984 661 N CB -0.208 38.274 38.487 -0.007 0.000 0.720 661 N HN 0.804 nan 8.380 nan 0.000 0.534 662 T N -0.218 114.328 114.554 -0.013 0.000 2.946 662 T HA 0.275 4.620 4.350 -0.009 0.000 0.311 662 T C -2.476 172.237 174.700 0.020 0.000 1.063 662 T CA -0.945 61.148 62.100 -0.012 0.000 1.139 662 T CB 0.609 69.449 68.868 -0.047 0.000 0.994 662 T HN 0.183 nan 8.240 nan 0.000 0.547 663 P HA 0.394 nan 4.420 nan 0.000 0.268 663 P C -0.775 176.622 177.300 0.162 0.000 1.204 663 P CA -0.491 62.683 63.100 0.123 0.000 0.768 663 P CB 0.718 32.514 31.700 0.159 0.000 0.842 664 V N 4.853 124.844 119.914 0.129 0.000 2.789 664 V HA 0.606 4.720 4.120 -0.009 0.000 0.311 664 V C -1.619 174.566 176.094 0.151 0.000 1.073 664 V CA -0.943 61.411 62.300 0.090 0.000 0.921 664 V CB 1.623 33.451 31.823 0.009 0.000 1.009 664 V HN 0.375 nan 8.190 nan 0.000 0.426 665 F N 5.518 125.463 119.950 -0.009 0.000 2.402 665 F HA 0.658 5.177 4.527 -0.013 0.000 0.355 665 F C -0.092 175.679 175.800 -0.047 0.000 1.123 665 F CA -0.135 57.858 58.000 -0.012 0.000 1.021 665 F CB 1.240 40.260 39.000 0.032 0.000 1.160 665 F HN 0.551 nan 8.300 nan 0.000 0.451 666 E N 7.033 126.788 120.200 -0.741 0.000 2.222 666 E HA 0.344 4.689 4.350 -0.009 0.000 0.267 666 E C -2.529 173.479 176.600 -0.987 0.000 0.884 666 E CA -2.196 53.786 56.400 -0.697 0.000 0.764 666 E CB 1.566 31.042 29.700 -0.373 0.000 1.169 666 E HN 0.402 nan 8.360 nan 0.000 0.413 667 P HA -0.048 nan 4.420 nan 0.000 0.269 667 P C -0.713 176.360 177.300 -0.379 0.000 1.211 667 P CA 0.006 62.767 63.100 -0.564 0.000 0.781 667 P CB 0.404 31.856 31.700 -0.413 0.000 0.877 668 A N 2.116 124.796 122.820 -0.233 0.000 2.531 668 A HA 0.219 4.534 4.320 -0.009 0.000 0.236 668 A C 0.356 177.861 177.584 -0.132 0.000 1.062 668 A CA 0.403 52.353 52.037 -0.145 0.000 0.760 668 A CB -0.411 18.554 19.000 -0.059 0.000 0.995 668 A HN 0.459 nan 8.150 nan 0.000 0.501 669 S N 1.058 116.691 115.700 -0.112 0.000 2.499 669 S HA 0.519 4.983 4.470 -0.009 0.000 0.279 669 S C 0.212 174.773 174.600 -0.065 0.000 1.219 669 S CA -0.215 57.927 58.200 -0.096 0.000 1.062 669 S CB 0.890 64.033 63.200 -0.094 0.000 0.978 669 S HN 1.052 nan 8.310 nan 0.000 0.489 670 S N 2.540 118.204 115.700 -0.059 0.000 2.552 670 S HA 0.562 5.026 4.470 -0.009 0.000 0.314 670 S C -0.409 174.165 174.600 -0.042 0.000 1.099 670 S CA -1.036 57.139 58.200 -0.042 0.000 1.070 670 S CB 0.856 64.037 63.200 -0.032 0.000 0.998 670 S HN 0.749 nan 8.310 nan 0.000 0.474 671 K N 1.857 122.236 120.400 -0.035 0.000 3.653 671 K HA -0.221 4.094 4.320 -0.009 0.000 0.275 671 K C 1.024 177.598 176.600 -0.043 0.000 0.962 671 K CA 0.775 57.041 56.287 -0.035 0.000 0.773 671 K CB -1.695 30.785 32.500 -0.033 0.000 1.463 671 K HN 1.989 nan 8.250 nan 0.000 0.450 672 G N 0.900 109.674 108.800 -0.043 0.000 3.594 672 G HA2 -0.378 3.576 3.960 -0.009 0.000 0.285 672 G HA3 -0.378 3.576 3.960 -0.009 0.000 0.285 672 G C -0.324 174.540 174.900 -0.059 0.000 1.551 672 G CA 0.422 45.494 45.100 -0.047 0.000 1.061 672 G HN 0.655 nan 8.290 nan 0.000 0.624 673 D N 2.163 122.524 120.400 -0.064 0.000 2.308 673 D HA 0.477 5.112 4.640 -0.009 0.000 0.251 673 D C 1.669 177.918 176.300 -0.086 0.000 1.127 673 D CA 0.352 54.306 54.000 -0.076 0.000 0.876 673 D CB 0.815 41.571 40.800 -0.074 0.000 1.176 673 D HN 0.419 nan 8.370 nan 0.000 0.446 674 N N 1.772 120.408 118.700 -0.107 0.000 2.038 674 N HA -0.140 4.594 4.740 -0.009 0.000 0.192 674 N C -0.186 175.262 175.510 -0.103 0.000 1.080 674 N CA 0.953 53.929 53.050 -0.122 0.000 0.867 674 N CB -0.969 37.407 38.487 -0.184 0.000 1.055 674 N HN 0.360 nan 8.380 nan 0.000 0.430 675 S N -0.935 114.690 115.700 -0.125 0.000 3.368 675 S HA -0.151 4.314 4.470 -0.009 0.000 0.470 675 S C -0.193 174.421 174.600 0.022 0.000 0.774 675 S CA 0.256 58.425 58.200 -0.051 0.000 1.368 675 S CB -1.481 61.709 63.200 -0.017 0.000 0.978 675 S HN 0.866 nan 8.310 nan 0.000 0.717 676 V N 4.739 124.645 119.914 -0.013 0.000 2.763 676 V HA 0.363 4.477 4.120 -0.009 0.000 0.306 676 V C 0.540 176.667 176.094 0.055 0.000 1.059 676 V CA 0.666 62.956 62.300 -0.017 0.000 1.138 676 V CB 1.359 33.137 31.823 -0.075 0.000 0.940 676 V HN 0.821 nan 8.190 nan 0.000 0.489 677 E N 5.595 125.777 120.200 -0.030 0.000 2.200 677 E HA 0.348 4.693 4.350 -0.009 0.000 0.283 677 E C -1.429 175.031 176.600 -0.233 0.000 1.015 677 E CA -0.553 55.795 56.400 -0.087 0.000 0.819 677 E CB 0.787 30.478 29.700 -0.014 0.000 1.081 677 E HN 0.658 nan 8.360 nan 0.000 0.397 678 F N 2.466 122.381 119.950 -0.058 0.000 2.458 678 F HA 0.373 4.895 4.527 -0.010 0.000 0.330 678 F C 0.702 176.507 175.800 0.007 0.000 1.082 678 F CA -0.388 57.641 58.000 0.047 0.000 0.995 678 F CB 1.759 40.874 39.000 0.192 0.000 1.170 678 F HN 0.399 nan 8.300 nan 0.000 0.478 679 Q N 2.283 122.215 119.800 0.221 0.000 2.605 679 Q HA 0.305 4.640 4.340 -0.009 0.000 0.296 679 Q C -2.100 173.997 176.000 0.161 0.000 1.056 679 Q CA -1.914 53.972 55.803 0.139 0.000 0.778 679 Q CB 1.783 30.571 28.738 0.083 0.000 1.497 679 Q HN 0.192 nan 8.270 nan 0.000 0.443 680 P HA -0.166 nan 4.420 nan 0.000 0.221 680 P C 0.352 177.747 177.300 0.158 0.000 1.141 680 P CA 1.535 64.700 63.100 0.109 0.000 0.794 680 P CB 0.362 32.104 31.700 0.072 0.000 0.764 681 N N -2.221 116.578 118.700 0.165 0.000 2.428 681 N HA -0.000 4.734 4.740 -0.009 0.000 0.181 681 N C 0.142 175.779 175.510 0.212 0.000 1.028 681 N CA 0.637 53.802 53.050 0.191 0.000 0.877 681 N CB -1.147 37.440 38.487 0.166 0.000 1.064 681 N HN -0.044 nan 8.380 nan 0.000 0.434 682 T N 2.206 116.872 114.554 0.186 0.000 2.658 682 T HA -0.052 4.293 4.350 -0.009 0.000 0.252 682 T C 0.388 175.232 174.700 0.239 0.000 1.021 682 T CA 0.737 62.930 62.100 0.155 0.000 1.169 682 T CB -0.174 68.734 68.868 0.066 0.000 1.015 682 T HN 0.098 nan 8.240 nan 0.000 0.489 683 I N 3.510 124.178 120.570 0.162 0.000 2.466 683 I HA 0.191 4.356 4.170 -0.009 0.000 0.279 683 I C -0.004 176.173 176.117 0.101 0.000 1.033 683 I CA -0.775 60.627 61.300 0.169 0.000 1.123 683 I CB 1.629 39.717 38.000 0.146 0.000 1.237 683 I HN 0.458 nan 8.210 nan 0.000 0.460 684 Q N 7.331 127.204 119.800 0.123 0.000 2.314 684 Q HA 0.299 4.634 4.340 -0.009 0.000 0.257 684 Q C -0.553 175.456 176.000 0.014 0.000 0.975 684 Q CA -0.224 55.613 55.803 0.057 0.000 0.933 684 Q CB 0.586 29.373 28.738 0.082 0.000 1.195 684 Q HN 0.570 nan 8.270 nan 0.000 0.426 685 R N 2.229 122.704 120.500 -0.041 0.000 2.358 685 R HA 0.507 4.841 4.340 -0.009 0.000 0.309 685 R C -1.177 174.932 176.300 -0.319 0.000 1.026 685 R CA -0.729 55.229 56.100 -0.237 0.000 0.909 685 R CB 1.062 31.184 30.300 -0.297 0.000 1.153 685 R HN 0.322 nan 8.270 nan 0.000 0.515 686 D N 3.797 124.032 120.400 -0.275 0.000 2.280 686 D HA 0.223 4.858 4.640 -0.009 0.000 0.236 686 D C -0.776 175.313 176.300 -0.351 0.000 1.082 686 D CA -0.199 53.721 54.000 -0.133 0.000 0.834 686 D CB 1.024 41.864 40.800 0.067 0.000 1.100 686 D HN 0.348 nan 8.370 nan 0.000 0.486 687 F N 2.724 122.709 119.950 0.057 0.000 2.405 687 F HA 0.414 4.934 4.527 -0.012 0.000 0.355 687 F C 0.647 176.469 175.800 0.036 0.000 1.121 687 F CA -0.580 57.420 58.000 0.000 0.000 1.112 687 F CB 0.770 39.751 39.000 -0.032 0.000 1.126 687 F HN 0.045 nan 8.300 nan 0.000 0.481 688 I N 4.720 125.360 120.570 0.117 0.000 2.466 688 I HA 0.247 4.412 4.170 -0.009 0.000 0.289 688 I C -0.958 175.202 176.117 0.071 0.000 1.026 688 I CA -1.140 60.206 61.300 0.076 0.000 1.078 688 I CB 1.974 39.941 38.000 -0.055 0.000 1.249 688 I HN 0.321 nan 8.210 nan 0.000 0.429 689 L N 8.223 129.475 121.223 0.049 0.000 2.385 689 L HA 0.276 4.610 4.340 -0.009 0.000 0.281 689 L C -0.049 176.745 176.870 -0.126 0.000 1.106 689 L CA 0.170 54.999 54.840 -0.017 0.000 0.856 689 L CB 0.682 42.733 42.059 -0.012 0.000 1.186 689 L HN 0.342 nan 8.230 nan 0.000 0.453 690 V N 8.291 128.086 119.914 -0.198 0.000 2.673 690 V HA 0.113 4.228 4.120 -0.009 0.000 0.303 690 V C -1.743 174.091 176.094 -0.433 0.000 1.046 690 V CA -0.906 61.101 62.300 -0.489 0.000 1.126 690 V CB 0.116 31.735 31.823 -0.339 0.000 0.934 690 V HN 0.774 nan 8.190 nan 0.000 0.487 691 P HA 0.161 nan 4.420 nan 0.000 0.269 691 P C -0.163 177.005 177.300 -0.220 0.000 1.209 691 P CA -0.238 62.664 63.100 -0.330 0.000 0.776 691 P CB 0.498 32.004 31.700 -0.323 0.000 0.876 692 E N 1.748 121.878 120.200 -0.117 0.000 2.404 692 E HA 0.070 4.415 4.350 -0.009 0.000 0.261 692 E C 0.583 177.164 176.600 -0.031 0.000 1.074 692 E CA 0.076 56.441 56.400 -0.057 0.000 0.917 692 E CB 0.109 29.796 29.700 -0.021 0.000 0.965 692 E HN 0.318 nan 8.360 nan 0.000 0.433 693 R N -0.504 120.009 120.500 0.022 0.000 3.785 693 R HA -0.226 4.108 4.340 -0.009 0.000 0.476 693 R C -0.405 175.916 176.300 0.035 0.000 0.905 693 R CA 0.686 56.825 56.100 0.065 0.000 1.412 693 R CB -1.575 28.753 30.300 0.046 0.000 2.077 693 R HN 0.542 nan 8.270 nan 0.000 0.504 694 A N 0.580 123.384 122.820 -0.026 0.000 2.444 694 A HA 0.318 4.633 4.320 -0.009 0.000 0.273 694 A C 1.056 178.670 177.584 0.051 0.000 1.136 694 A CA 0.592 52.606 52.037 -0.038 0.000 0.799 694 A CB 0.604 19.508 19.000 -0.159 0.000 1.081 694 A HN 0.219 nan 8.150 nan 0.000 0.509 695 T N 2.015 116.655 114.554 0.144 0.000 3.021 695 T HA 0.215 4.560 4.350 -0.009 0.000 0.245 695 T C 0.329 175.251 174.700 0.369 0.000 1.028 695 T CA 1.434 63.718 62.100 0.307 0.000 1.139 695 T CB -0.089 69.091 68.868 0.520 0.000 0.884 695 T HN 0.884 nan 8.240 nan 0.000 0.457 696 W N -0.003 121.315 121.300 0.029 0.000 3.039 696 W HA 0.778 5.437 4.660 -0.003 0.000 0.354 696 W C -1.745 174.698 176.519 -0.127 0.000 1.206 696 W CA -1.478 55.826 57.345 -0.069 0.000 1.134 696 W CB 0.828 30.245 29.460 -0.072 0.000 1.493 696 W HN -0.053 nan 8.180 nan 0.000 0.591 697 A N 0.697 123.275 122.820 -0.403 0.000 2.498 697 A HA 0.723 5.038 4.320 -0.009 0.000 0.298 697 A C -1.562 175.724 177.584 -0.497 0.000 1.075 697 A CA -0.937 50.673 52.037 -0.711 0.000 0.714 697 A CB 1.866 20.233 19.000 -1.055 0.000 1.299 697 A HN 0.661 nan 8.150 nan 0.000 0.407 698 E N 1.164 121.125 120.200 -0.398 0.000 2.191 698 E HA 0.390 4.734 4.350 -0.009 0.000 0.263 698 E C -1.513 175.031 176.600 -0.093 0.000 0.881 698 E CA -0.433 55.883 56.400 -0.140 0.000 0.757 698 E CB 2.302 31.957 29.700 -0.075 0.000 1.147 698 E HN 0.496 nan 8.360 nan 0.000 0.414 699 L N 4.736 125.979 121.223 0.033 0.000 2.276 699 L HA 0.445 4.780 4.340 -0.009 0.000 0.286 699 L C -0.346 176.539 176.870 0.026 0.000 1.024 699 L CA -0.261 54.612 54.840 0.055 0.000 0.826 699 L CB 0.375 42.506 42.059 0.120 0.000 1.211 699 L HN 0.490 nan 8.230 nan 0.000 0.422 703 I N 3.004 123.586 120.570 0.019 0.000 2.416 703 I HA 0.140 4.305 4.170 -0.009 0.000 0.288 703 I C 0.731 176.868 176.117 0.033 0.000 1.051 703 I CA -0.457 60.869 61.300 0.042 0.000 1.375 703 I CB 1.651 39.683 38.000 0.052 0.000 1.407 703 I HN 0.785 nan 8.210 nan 0.000 0.516 704 T N 3.309 117.898 114.554 0.058 0.000 2.739 704 T HA -0.057 4.288 4.350 -0.009 0.000 0.249 704 T C 0.113 174.828 174.700 0.027 0.000 1.050 704 T CA 0.200 62.320 62.100 0.034 0.000 1.165 704 T CB -0.321 68.564 68.868 0.027 0.000 0.872 704 T HN 0.829 nan 8.240 nan 0.000 0.411 705 D N 3.348 123.784 120.400 0.059 0.000 2.836 705 D HA -0.009 4.626 4.640 -0.009 0.000 0.220 705 D C -2.582 173.731 176.300 0.021 0.000 1.094 705 D CA -0.853 53.175 54.000 0.047 0.000 0.820 705 D CB -0.557 40.325 40.800 0.137 0.000 1.171 705 D HN 0.147 nan 8.370 nan 0.000 0.507 706 P HA -0.012 nan 4.420 nan 0.000 0.270 706 P C 0.776 178.091 177.300 0.024 0.000 1.221 706 P CA -0.013 63.095 63.100 0.013 0.000 0.788 706 P CB 0.260 31.967 31.700 0.012 0.000 0.904 707 N N 0.579 119.293 118.700 0.023 0.000 1.192 707 N HA -0.383 4.351 4.740 -0.009 0.000 0.127 707 N C 0.231 175.761 175.510 0.035 0.000 0.811 707 N CA 1.324 54.394 53.050 0.034 0.000 0.897 707 N CB -0.754 37.763 38.487 0.049 0.000 1.110 707 N HN 0.531 nan 8.380 nan 0.000 0.573 708 R N -0.983 119.559 120.500 0.068 0.000 3.862 708 R HA -0.225 4.110 4.340 -0.009 0.000 0.470 708 R C 1.077 177.421 176.300 0.073 0.000 0.879 708 R CA 1.878 58.030 56.100 0.086 0.000 1.508 708 R CB -2.072 28.199 30.300 -0.048 0.000 2.170 708 R HN 1.189 nan 8.270 nan 0.000 0.496 709 G N 0.446 109.276 108.800 0.051 0.000 2.550 709 G HA2 -0.387 3.567 3.960 -0.009 0.000 0.277 709 G HA3 -0.387 3.567 3.960 -0.009 0.000 0.277 709 G C 0.240 175.162 174.900 0.036 0.000 1.190 709 G CA 0.657 45.783 45.100 0.044 0.000 0.971 709 G HN 0.445 nan 8.290 nan 0.000 0.559 710 E N 0.757 120.982 120.200 0.041 0.000 2.476 710 E HA 0.196 4.541 4.350 -0.009 0.000 0.196 710 E C 0.181 176.809 176.600 0.047 0.000 1.029 710 E CA -0.070 56.353 56.400 0.038 0.000 0.896 710 E CB 0.259 29.980 29.700 0.036 0.000 1.012 710 E HN 0.409 nan 8.360 nan 0.000 0.475 711 D N 0.692 121.127 120.400 0.058 0.000 2.400 711 D HA 0.007 4.642 4.640 -0.009 0.000 0.238 711 D C -0.353 175.976 176.300 0.048 0.000 1.157 711 D CA 0.261 54.306 54.000 0.076 0.000 0.889 711 D CB 0.649 41.520 40.800 0.118 0.000 1.199 711 D HN -0.115 nan 8.370 nan 0.000 0.436 712 I N 1.563 122.176 120.570 0.071 0.000 2.460 712 I HA 0.448 4.613 4.170 -0.009 0.000 0.298 712 I C 1.007 177.138 176.117 0.023 0.000 0.989 712 I CA -0.680 60.656 61.300 0.059 0.000 1.173 712 I CB 1.056 39.111 38.000 0.091 0.000 1.338 712 I HN 0.340 nan 8.210 nan 0.000 0.456 713 G N 4.320 113.112 108.800 -0.014 0.000 2.417 713 G HA2 0.604 4.559 3.960 -0.009 0.000 0.334 713 G HA3 0.604 4.559 3.960 -0.009 0.000 0.334 713 G C -0.740 174.089 174.900 -0.118 0.000 1.150 713 G CA -0.579 44.433 45.100 -0.146 0.000 0.923 713 G HN 0.520 nan 8.290 nan 0.000 0.485 714 K N 0.985 121.239 120.400 -0.243 0.000 2.483 714 K HA 0.404 4.718 4.320 -0.009 0.000 0.256 714 K C -1.381 175.047 176.600 -0.288 0.000 0.961 714 K CA -0.283 55.946 56.287 -0.098 0.000 0.873 714 K CB 1.628 34.221 32.500 0.156 0.000 1.107 714 K HN 0.354 nan 8.250 nan 0.000 0.432 715 F N 1.821 121.761 119.950 -0.016 0.000 2.507 715 F HA 0.437 4.959 4.527 -0.007 0.000 0.327 715 F C -0.085 175.696 175.800 -0.033 0.000 1.068 715 F CA -1.026 56.941 58.000 -0.054 0.000 0.965 715 F CB 1.019 39.888 39.000 -0.217 0.000 1.192 715 F HN 0.343 nan 8.300 nan 0.000 0.476 716 F N 2.601 122.567 119.950 0.027 0.000 2.404 716 F HA 0.658 5.180 4.527 -0.009 0.000 0.354 716 F C -0.894 174.780 175.800 -0.210 0.000 1.122 716 F CA -0.803 57.110 58.000 -0.145 0.000 1.080 716 F CB 0.868 39.689 39.000 -0.298 0.000 1.131 716 F HN 0.081 nan 8.300 nan 0.000 0.471 717 V N 6.189 125.755 119.914 -0.580 0.000 2.384 717 V HA 0.227 4.342 4.120 -0.009 0.000 0.287 717 V C -0.790 175.000 176.094 -0.505 0.000 1.020 717 V CA -0.655 61.382 62.300 -0.438 0.000 0.850 717 V CB 1.303 32.882 31.823 -0.406 0.000 0.987 717 V HN 0.766 nan 8.190 nan 0.000 0.436 718 H N 3.365 122.215 119.070 -0.367 0.000 2.786 718 H HA 0.460 5.011 4.556 -0.009 0.000 0.284 718 H C 0.208 175.360 175.328 -0.293 0.000 1.104 718 H CA -0.478 55.402 56.048 -0.281 0.000 1.339 718 H CB 0.907 30.617 29.762 -0.087 0.000 1.427 718 H HN 0.783 nan 8.280 nan 0.000 0.497 719 T N 1.882 116.355 114.554 -0.136 0.000 2.889 719 T HA 0.262 4.606 4.350 -0.009 0.000 0.291 719 T C 0.054 174.744 174.700 -0.016 0.000 0.995 719 T CA -0.881 61.080 62.100 -0.231 0.000 1.092 719 T CB 1.386 69.889 68.868 -0.607 0.000 0.954 719 T HN 0.602 nan 8.240 nan 0.000 0.506 720 N N 1.675 120.352 118.700 -0.038 0.000 2.542 720 N HA 0.240 4.975 4.740 -0.009 0.000 0.288 720 N C -1.594 173.941 175.510 0.041 0.000 1.115 720 N CA -0.391 52.663 53.050 0.006 0.000 0.924 720 N CB 1.998 40.430 38.487 -0.091 0.000 1.526 720 N HN 0.754 nan 8.380 nan 0.000 0.515 721 Q N 2.043 121.885 119.800 0.069 0.000 2.342 721 Q HA 0.560 4.895 4.340 -0.009 0.000 0.267 721 Q C -0.799 175.241 176.000 0.066 0.000 1.038 721 Q CA -0.831 55.018 55.803 0.077 0.000 0.832 721 Q CB 2.362 31.154 28.738 0.089 0.000 1.323 721 Q HN 0.481 nan 8.270 nan 0.000 0.448 722 L N 4.036 125.299 121.223 0.066 0.000 2.265 722 L HA 0.461 4.796 4.340 -0.009 0.000 0.289 722 L C -0.684 176.220 176.870 0.057 0.000 1.033 722 L CA -0.423 54.456 54.840 0.066 0.000 0.814 722 L CB 0.452 42.560 42.059 0.082 0.000 1.203 722 L HN 0.394 nan 8.230 nan 0.000 0.423 723 L N 4.239 125.496 121.223 0.057 0.000 2.360 723 L HA 0.491 4.826 4.340 -0.009 0.000 0.271 723 L C -2.067 174.843 176.870 0.067 0.000 1.057 723 L CA -2.180 52.692 54.840 0.053 0.000 0.803 723 L CB 0.980 43.066 42.059 0.046 0.000 1.207 723 L HN 0.293 nan 8.230 nan 0.000 0.445 724 P HA -0.099 nan 4.420 nan 0.000 0.255 724 P C -0.514 176.852 177.300 0.111 0.000 1.161 724 P CA 0.310 63.454 63.100 0.074 0.000 0.768 724 P CB 0.049 31.782 31.700 0.055 0.000 0.746 725 K N 1.334 121.820 120.400 0.143 0.000 3.490 725 K HA -0.253 4.062 4.320 -0.009 0.000 0.273 725 K C -0.242 176.506 176.600 0.246 0.000 0.916 725 K CA 0.949 57.379 56.287 0.239 0.000 0.718 725 K CB -1.064 31.595 32.500 0.265 0.000 1.477 725 K HN 0.623 nan 8.250 nan 0.000 0.452 726 Q N -0.309 119.583 119.800 0.153 0.000 2.359 726 Q HA 0.264 4.599 4.340 -0.009 0.000 0.274 726 Q C -0.386 175.645 176.000 0.051 0.000 1.074 726 Q CA -0.605 55.252 55.803 0.091 0.000 0.810 726 Q CB 2.366 31.147 28.738 0.071 0.000 1.342 726 Q HN 0.232 nan 8.270 nan 0.000 0.427 727 S N -0.030 115.673 115.700 0.004 0.000 2.563 727 S HA -0.046 4.418 4.470 -0.009 0.000 0.269 727 S C 1.361 175.954 174.600 -0.012 0.000 1.364 727 S CA 0.032 58.226 58.200 -0.011 0.000 1.010 727 S CB 0.285 63.463 63.200 -0.037 0.000 0.877 727 S HN 0.903 nan 8.310 nan 0.000 0.549 728 C N 3.162 122.442 119.300 -0.033 0.000 2.491 728 C HA 0.313 4.768 4.460 -0.009 0.000 0.277 728 C C 1.702 176.655 174.990 -0.061 0.000 1.455 728 C CA -0.166 58.833 59.018 -0.033 0.000 1.758 728 C CB -1.584 26.140 27.740 -0.026 0.000 1.745 728 C HN 0.846 nan 8.230 nan 0.000 0.558 729 R N 0.773 121.198 120.500 -0.125 0.000 2.480 729 R HA 0.188 4.523 4.340 -0.009 0.000 0.277 729 R C 1.399 177.673 176.300 -0.044 0.000 1.008 729 R CA 0.003 56.038 56.100 -0.109 0.000 1.090 729 R CB -0.001 30.169 30.300 -0.216 0.000 1.234 729 R HN 0.619 nan 8.270 nan 0.000 0.549 730 K N 0.023 120.414 120.400 -0.015 0.000 2.355 730 K HA 0.133 4.448 4.320 -0.009 0.000 0.198 730 K C -0.195 176.418 176.600 0.022 0.000 1.039 730 K CA 0.036 56.325 56.287 0.003 0.000 1.075 730 K CB 0.791 33.296 32.500 0.008 0.000 0.870 730 K HN -0.066 nan 8.250 nan 0.000 0.540 731 L N 1.846 123.090 121.223 0.035 0.000 2.392 731 L HA 0.222 4.557 4.340 -0.009 0.000 0.262 731 L C -1.599 175.315 176.870 0.073 0.000 1.498 731 L CA -0.050 54.824 54.840 0.057 0.000 0.820 731 L CB 0.819 42.916 42.059 0.063 0.000 0.990 731 L HN 0.113 nan 8.230 nan 0.000 0.520 732 E N 0.734 120.973 120.200 0.065 0.000 2.343 732 E HA 0.752 5.096 4.350 -0.009 0.000 0.278 732 E C -1.493 175.115 176.600 0.014 0.000 0.910 732 E CA -0.477 55.967 56.400 0.074 0.000 0.757 732 E CB 2.159 31.938 29.700 0.132 0.000 1.218 732 E HN 0.226 nan 8.360 nan 0.000 0.435 736 I N 4.824 125.153 120.570 -0.401 0.000 2.347 736 I HA 0.142 4.307 4.170 -0.009 0.000 0.294 736 I C -0.175 175.828 176.117 -0.190 0.000 1.090 736 I CA -0.768 60.348 61.300 -0.306 0.000 1.314 736 I CB 1.050 38.876 38.000 -0.290 0.000 1.423 736 I HN 0.235 nan 8.210 nan 0.000 0.503 737 V N 5.656 125.489 119.914 -0.135 0.000 2.439 737 V HA 0.235 4.349 4.120 -0.009 0.000 0.282 737 V C 0.372 176.481 176.094 0.026 0.000 1.039 737 V CA -0.504 61.762 62.300 -0.058 0.000 0.913 737 V CB 1.557 33.342 31.823 -0.063 0.000 0.983 737 V HN 0.693 nan 8.190 nan 0.000 0.460 738 S N 3.905 119.620 115.700 0.025 0.000 2.452 738 S HA 0.605 5.070 4.470 -0.009 0.000 0.284 738 S C -0.233 174.419 174.600 0.086 0.000 1.171 738 S CA -0.496 57.741 58.200 0.062 0.000 1.064 738 S CB 1.286 64.512 63.200 0.043 0.000 0.967 738 S HN 0.486 nan 8.310 nan 0.000 0.484 739 V N 2.332 122.334 119.914 0.147 0.000 2.715 739 V HA 0.885 4.999 4.120 -0.009 0.000 0.310 739 V C 0.638 176.794 176.094 0.104 0.000 1.054 739 V CA -0.624 61.760 62.300 0.140 0.000 0.928 739 V CB 2.020 33.974 31.823 0.218 0.000 1.007 739 V HN 0.933 nan 8.190 nan 0.000 0.437 740 G N 1.153 109.991 108.800 0.062 0.000 2.714 740 G HA2 0.512 4.467 3.960 -0.009 0.000 0.292 740 G HA3 0.512 4.467 3.960 -0.009 0.000 0.292 740 G C 0.437 175.352 174.900 0.025 0.000 1.308 740 G CA -0.042 45.081 45.100 0.039 0.000 0.964 740 G HN 0.583 nan 8.290 nan 0.000 0.484 741 S N -0.459 115.248 115.700 0.010 0.000 2.414 741 S HA -0.046 4.419 4.470 -0.009 0.000 0.227 741 S C 1.980 176.584 174.600 0.007 0.000 1.022 741 S CA 1.347 59.550 58.200 0.005 0.000 0.958 741 S CB -0.188 63.009 63.200 -0.006 0.000 0.797 741 S HN 0.788 nan 8.310 nan 0.000 0.493 742 E N 3.229 123.435 120.200 0.010 0.000 1.969 742 E HA -0.166 4.179 4.350 -0.009 0.000 0.204 742 E C 0.348 176.953 176.600 0.007 0.000 0.982 742 E CA 0.886 57.292 56.400 0.009 0.000 0.871 742 E CB -0.770 28.937 29.700 0.012 0.000 0.815 742 E HN 0.720 nan 8.360 nan 0.000 0.527 743 N N 0.206 118.911 118.700 0.009 0.000 2.485 743 N HA 0.254 4.988 4.740 -0.009 0.000 0.280 743 N C -0.999 174.516 175.510 0.008 0.000 1.205 743 N CA -0.774 52.280 53.050 0.007 0.000 0.959 743 N CB 1.464 39.956 38.487 0.007 0.000 1.206 743 N HN 0.142 nan 8.380 nan 0.000 0.545 744 E N 0.068 120.271 120.200 0.005 0.000 2.289 744 E HA 0.170 4.515 4.350 -0.009 0.000 0.278 744 E C -0.749 175.854 176.600 0.006 0.000 1.032 744 E CA -0.421 55.981 56.400 0.004 0.000 0.854 744 E CB 0.729 30.430 29.700 0.001 0.000 1.046 744 E HN 0.486 nan 8.360 nan 0.000 0.409 745 S N 3.284 118.986 115.700 0.004 0.000 2.586 745 S HA 0.458 4.923 4.470 -0.009 0.000 0.274 745 S C 0.033 174.635 174.600 0.003 0.000 1.281 745 S CA -0.434 57.768 58.200 0.004 0.000 1.035 745 S CB 0.620 63.822 63.200 0.003 0.000 0.962 745 S HN 0.382 nan 8.310 nan 0.000 0.512 749 F N -0.714 119.301 119.950 0.108 0.000 2.654 749 F HA 0.784 5.306 4.527 -0.008 0.000 0.308 749 F C -0.491 175.395 175.800 0.143 0.000 1.108 749 F CA -1.006 57.040 58.000 0.077 0.000 0.957 749 F CB 1.231 40.243 39.000 0.021 0.000 1.309 749 F HN 0.742 nan 8.300 nan 0.000 0.446 750 K N 1.362 121.887 120.400 0.208 0.000 2.380 750 K HA 0.613 4.928 4.320 -0.009 0.000 0.267 750 K C -1.423 175.271 176.600 0.158 0.000 0.990 750 K CA -0.227 56.146 56.287 0.144 0.000 0.946 750 K CB 0.844 33.397 32.500 0.087 0.000 0.937 750 K HN 0.691 nan 8.250 nan 0.000 0.491 751 V N 2.802 122.789 119.914 0.122 0.000 3.087 751 V HA 0.320 4.434 4.120 -0.009 0.000 0.306 751 V C -1.159 174.983 176.094 0.081 0.000 1.187 751 V CA -0.983 61.390 62.300 0.121 0.000 0.999 751 V CB 2.271 34.163 31.823 0.115 0.000 1.049 751 V HN 0.712 nan 8.190 nan 0.000 0.431 752 K N 1.521 121.958 120.400 0.062 0.000 2.292 752 K HA 0.543 4.858 4.320 -0.009 0.000 0.257 752 K C 0.875 177.470 176.600 -0.009 0.000 0.940 752 K CA -0.165 56.138 56.287 0.027 0.000 0.811 752 K CB 1.960 34.477 32.500 0.028 0.000 1.120 752 K HN 0.741 nan 8.250 nan 0.000 0.428 753 S N 1.973 117.661 115.700 -0.019 0.000 2.492 753 S HA -0.213 4.252 4.470 -0.009 0.000 0.234 753 S C 1.343 175.900 174.600 -0.071 0.000 1.050 753 S CA 2.114 60.283 58.200 -0.053 0.000 1.203 753 S CB -0.392 62.792 63.200 -0.026 0.000 1.161 753 S HN 0.817 nan 8.310 nan 0.000 0.417 754 G N 1.934 110.709 108.800 -0.043 0.000 3.496 754 G HA2 0.309 4.263 3.960 -0.009 0.000 0.273 754 G HA3 0.309 4.263 3.960 -0.009 0.000 0.273 754 G C 0.049 174.929 174.900 -0.032 0.000 1.279 754 G CA -0.324 44.751 45.100 -0.042 0.000 1.041 754 G HN 0.262 nan 8.290 nan 0.000 0.539 755 R N -0.306 120.177 120.500 -0.029 0.000 2.750 755 R HA 0.416 4.750 4.340 -0.009 0.000 0.281 755 R C -0.399 175.903 176.300 0.003 0.000 0.972 755 R CA -1.013 55.082 56.100 -0.008 0.000 0.912 755 R CB 2.032 32.337 30.300 0.008 0.000 1.187 755 R HN 0.062 nan 8.270 nan 0.000 0.464 756 I N 3.162 123.741 120.570 0.016 0.000 2.775 756 I HA -0.058 4.106 4.170 -0.009 0.000 0.290 756 I C 0.167 176.339 176.117 0.090 0.000 1.203 756 I CA 0.487 61.817 61.300 0.051 0.000 1.433 756 I CB 0.250 38.280 38.000 0.050 0.000 1.354 756 I HN 0.249 nan 8.210 nan 0.000 0.579 757 L N 7.330 128.621 121.223 0.114 0.000 2.362 757 L HA 0.463 4.797 4.340 -0.009 0.000 0.275 757 L C -0.605 176.315 176.870 0.083 0.000 0.998 757 L CA -0.391 54.523 54.840 0.122 0.000 0.820 757 L CB 1.739 43.903 42.059 0.175 0.000 1.270 757 L HN 0.695 nan 8.230 nan 0.000 0.415 758 E N 4.566 124.777 120.200 0.018 0.000 2.134 758 E HA 0.224 4.569 4.350 -0.009 0.000 0.278 758 E C -1.339 175.116 176.600 -0.242 0.000 0.959 758 E CA -0.763 55.517 56.400 -0.199 0.000 0.783 758 E CB 1.591 31.167 29.700 -0.207 0.000 1.095 758 E HN 0.537 nan 8.360 nan 0.000 0.399 759 L N 7.188 128.230 121.223 -0.302 0.000 2.353 759 L HA 0.261 4.596 4.340 -0.009 0.000 0.269 759 L C -0.986 175.714 176.870 -0.282 0.000 1.085 759 L CA -0.379 54.300 54.840 -0.269 0.000 0.938 759 L CB 0.269 42.200 42.059 -0.213 0.000 1.312 759 L HN 0.582 nan 8.230 nan 0.000 0.429 760 C N 6.211 125.353 119.300 -0.263 0.000 2.325 760 C HA 0.591 5.046 4.460 -0.009 0.000 0.347 760 C C 0.101 175.010 174.990 -0.135 0.000 1.263 760 C CA -0.763 58.137 59.018 -0.196 0.000 1.806 760 C CB -0.979 26.643 27.740 -0.197 0.000 2.405 760 C HN 0.703 nan 8.230 nan 0.000 0.537 761 I N 6.333 126.865 120.570 -0.063 0.000 2.418 761 I HA 0.594 4.758 4.170 -0.009 0.000 0.287 761 I C 0.401 176.621 176.117 0.173 0.000 1.008 761 I CA -0.144 61.148 61.300 -0.013 0.000 1.104 761 I CB 1.449 39.387 38.000 -0.103 0.000 1.264 761 I HN 0.789 nan 8.210 nan 0.000 0.438 762 A N 6.003 128.898 122.820 0.125 0.000 2.347 762 A HA 0.719 5.034 4.320 -0.009 0.000 0.301 762 A C -0.842 176.909 177.584 0.279 0.000 1.163 762 A CA -0.759 51.403 52.037 0.208 0.000 0.860 762 A CB 1.679 20.663 19.000 -0.027 0.000 1.367 762 A HN 0.672 nan 8.150 nan 0.000 0.461 763 K N 0.168 120.750 120.400 0.304 0.000 2.293 763 K HA 0.405 4.720 4.320 -0.009 0.000 0.267 763 K C -0.602 176.106 176.600 0.179 0.000 1.010 763 K CA -0.421 55.948 56.287 0.137 0.000 0.875 763 K CB 0.784 33.344 32.500 0.101 0.000 1.106 763 K HN 0.716 nan 8.250 nan 0.000 0.450 764 Y N 4.188 124.482 120.300 -0.010 0.000 2.433 764 Y HA 0.072 4.617 4.550 -0.009 0.000 0.250 764 Y C -0.162 175.757 175.900 0.032 0.000 1.027 764 Y CA 1.050 59.158 58.100 0.014 0.000 1.040 764 Y CB 0.153 38.667 38.460 0.090 0.000 1.033 764 Y HN 0.695 nan 8.280 nan 0.000 0.469 765 W N -0.575 120.734 121.300 0.014 0.000 2.915 765 W HA 0.438 5.092 4.660 -0.009 0.000 0.337 765 W C 0.231 176.722 176.519 -0.047 0.000 1.102 765 W CA -0.119 57.193 57.345 -0.055 0.000 1.224 765 W CB 1.906 31.350 29.460 -0.026 0.000 1.416 765 W HN 0.013 nan 8.180 nan 0.000 0.503 766 S N 2.644 117.684 115.700 -1.100 0.000 2.663 766 S HA 0.082 4.546 4.470 -0.009 0.000 0.247 766 S C 0.612 174.598 174.600 -1.024 0.000 1.074 766 S CA 0.812 58.487 58.200 -0.875 0.000 0.955 766 S CB -0.142 62.787 63.200 -0.451 0.000 0.901 766 S HN 0.726 nan 8.310 nan 0.000 0.505 767 N N -0.996 116.905 118.700 -1.332 0.000 2.980 767 N HA -0.132 4.603 4.740 -0.009 0.000 0.219 767 N C -0.532 174.804 175.510 -0.290 0.000 0.883 767 N CA 1.734 54.435 53.050 -0.582 0.000 1.018 767 N CB -1.053 37.262 38.487 -0.287 0.000 1.041 767 N HN 0.586 nan 8.380 nan 0.000 0.592 768 Y N -1.696 118.378 120.300 -0.376 0.000 3.300 768 Y HA 0.660 5.205 4.550 -0.008 0.000 0.297 768 Y C 1.630 177.428 175.900 -0.171 0.000 1.747 768 Y CA -0.165 57.812 58.100 -0.205 0.000 0.937 768 Y CB 0.914 39.281 38.460 -0.155 0.000 1.377 768 Y HN -0.089 nan 8.280 nan 0.000 0.662 769 G N -0.042 108.818 108.800 0.101 0.000 4.802 769 G HA2 0.239 4.193 3.960 -0.009 0.000 0.238 769 G HA3 0.239 4.193 3.960 -0.009 0.000 0.238 769 G C -1.037 173.894 174.900 0.053 0.000 0.974 769 G CA -0.027 45.094 45.100 0.035 0.000 0.798 769 G HN 0.326 nan 8.290 nan 0.000 0.301 770 Q N 0.740 120.580 119.800 0.066 0.000 2.942 770 Q HA 0.412 4.747 4.340 -0.009 0.000 0.207 770 Q C -1.559 174.423 176.000 -0.031 0.000 0.819 770 Q CA -0.208 55.607 55.803 0.020 0.000 1.231 770 Q CB 0.403 29.155 28.738 0.023 0.000 1.639 770 Q HN 0.142 nan 8.270 nan 0.000 0.591 771 S N 1.775 117.450 115.700 -0.042 0.000 2.726 771 S HA 0.655 5.120 4.470 -0.009 0.000 0.308 771 S C -1.295 173.207 174.600 -0.163 0.000 1.115 771 S CA -0.613 57.567 58.200 -0.034 0.000 0.965 771 S CB 0.990 64.251 63.200 0.100 0.000 1.145 771 S HN 0.616 nan 8.310 nan 0.000 0.532 772 H N 0.164 119.340 119.070 0.177 0.000 2.906 772 H HA 0.493 5.044 4.556 -0.009 0.000 0.324 772 H C -1.303 174.114 175.328 0.147 0.000 0.973 772 H CA -0.470 55.680 56.048 0.170 0.000 1.321 772 H CB 0.912 30.720 29.762 0.077 0.000 1.535 772 H HN 0.181 nan 8.280 nan 0.000 0.518 773 L N 3.125 124.539 121.223 0.319 0.000 2.307 773 L HA 0.387 4.722 4.340 -0.009 0.000 0.282 773 L C -0.311 176.625 176.870 0.111 0.000 1.051 773 L CA -0.688 54.252 54.840 0.168 0.000 0.804 773 L CB 0.920 43.046 42.059 0.112 0.000 1.197 773 L HN 0.485 nan 8.230 nan 0.000 0.431 774 K N 4.609 125.026 120.400 0.029 0.000 2.449 774 K HA 0.486 4.801 4.320 -0.009 0.000 0.257 774 K C -1.660 174.924 176.600 -0.027 0.000 0.989 774 K CA -0.365 55.880 56.287 -0.069 0.000 0.916 774 K CB 0.414 32.883 32.500 -0.053 0.000 1.136 774 K HN 0.468 nan 8.250 nan 0.000 0.439 775 Y N 0.356 120.626 120.300 -0.049 0.000 2.605 775 Y HA 0.807 5.351 4.550 -0.011 0.000 0.343 775 Y C -0.876 174.997 175.900 -0.044 0.000 1.036 775 Y CA -1.169 56.899 58.100 -0.052 0.000 1.065 775 Y CB 1.523 39.950 38.460 -0.055 0.000 1.288 775 Y HN 0.445 nan 8.280 nan 0.000 0.481 776 S N 1.546 117.381 115.700 0.226 0.000 2.550 776 S HA 0.696 5.161 4.470 -0.009 0.000 0.270 776 S C -2.007 172.670 174.600 0.127 0.000 1.145 776 S CA -0.920 57.357 58.200 0.128 0.000 0.852 776 S CB 1.576 64.775 63.200 -0.003 0.000 1.119 776 S HN 0.904 nan 8.310 nan 0.000 0.465 777 L N 1.989 123.278 121.223 0.109 0.000 2.305 777 L HA 0.573 4.908 4.340 -0.009 0.000 0.284 777 L C -0.197 176.509 176.870 -0.273 0.000 1.013 777 L CA -0.619 54.154 54.840 -0.111 0.000 0.819 777 L CB 1.621 43.579 42.059 -0.170 0.000 1.227 777 L HN 0.710 nan 8.230 nan 0.000 0.417 778 R N 3.534 123.829 120.500 -0.341 0.000 2.393 778 R HA 0.476 4.810 4.340 -0.009 0.000 0.310 778 R C -1.264 174.732 176.300 -0.507 0.000 0.968 778 R CA -0.455 55.459 56.100 -0.310 0.000 0.867 778 R CB 1.620 31.811 30.300 -0.181 0.000 1.124 778 R HN 0.322 nan 8.270 nan 0.000 0.450 779 F N 2.429 122.256 119.950 -0.205 0.000 2.404 779 F HA 0.449 4.980 4.527 0.006 0.000 0.354 779 F C 0.862 176.414 175.800 -0.413 0.000 1.122 779 F CA -0.455 57.361 58.000 -0.305 0.000 1.080 779 F CB 1.255 40.141 39.000 -0.189 0.000 1.131 779 F HN 0.223 nan 8.300 nan 0.000 0.471 780 R N 1.367 121.537 120.500 -0.550 0.000 2.919 780 R HA 0.902 5.237 4.340 -0.009 0.000 0.260 780 R C -0.643 175.236 176.300 -0.701 0.000 1.067 780 R CA -1.329 54.283 56.100 -0.813 0.000 1.003 780 R CB 2.343 31.721 30.300 -1.535 0.000 1.192 780 R HN 0.831 nan 8.270 nan 0.000 0.488 781 G N -0.273 108.324 108.800 -0.338 0.000 2.442 781 G HA2 0.420 4.375 3.960 -0.009 0.000 0.296 781 G HA3 0.420 4.375 3.960 -0.009 0.000 0.296 781 G C -2.023 173.001 174.900 0.206 0.000 1.564 781 G CA -0.372 44.788 45.100 0.100 0.000 0.828 781 G HN 0.508 nan 8.290 nan 0.000 0.571 782 V N 0.747 120.819 119.914 0.263 0.000 2.871 782 V HA 0.754 4.869 4.120 -0.009 0.000 0.283 782 V C -1.159 174.834 176.094 -0.168 0.000 1.422 782 V CA 0.197 62.543 62.300 0.076 0.000 0.943 782 V CB 1.345 33.241 31.823 0.121 0.000 1.125 782 V HN 1.547 nan 8.190 nan 0.000 0.440 783 E N 5.359 125.286 120.200 -0.455 0.000 2.442 783 E HA 0.820 5.165 4.350 -0.009 0.000 0.278 783 E C -0.891 175.284 176.600 -0.709 0.000 1.082 783 E CA -0.782 55.009 56.400 -1.015 0.000 0.861 783 E CB 1.840 31.384 29.700 -0.259 0.000 1.462 783 E HN 1.432 nan 8.360 nan 0.000 0.458 784 A N 0.416 122.906 122.820 -0.550 0.000 2.328 784 A HA 0.430 4.745 4.320 -0.009 0.000 0.284 784 A C -0.564 177.032 177.584 0.019 0.000 1.160 784 A CA -0.323 51.612 52.037 -0.170 0.000 0.818 784 A CB 0.072 18.971 19.000 -0.168 0.000 1.087 784 A HN 0.689 nan 8.150 nan 0.000 0.504 785 H N 1.038 120.058 119.070 -0.083 0.000 2.639 785 H HA 0.052 4.599 4.556 -0.015 0.000 0.267 785 H C 0.807 176.128 175.328 -0.012 0.000 0.958 785 H CA 0.616 56.650 56.048 -0.023 0.000 1.221 785 H CB 0.195 29.935 29.762 -0.038 0.000 1.446 785 H HN 0.811 nan 8.280 nan 0.000 0.512 786 N N 2.072 120.807 118.700 0.059 0.000 2.329 786 N HA -0.066 4.669 4.740 -0.009 0.000 0.237 786 N C -1.899 173.618 175.510 0.012 0.000 1.258 786 N CA -0.733 52.325 53.050 0.013 0.000 0.866 786 N CB 0.515 38.980 38.487 -0.035 0.000 1.102 786 N HN -0.003 nan 8.380 nan 0.000 0.440 787 P HA -0.132 nan 4.420 nan 0.000 0.202 787 P C 0.025 177.353 177.300 0.046 0.000 1.121 787 P CA 1.525 64.641 63.100 0.027 0.000 0.939 787 P CB 0.014 31.721 31.700 0.012 0.000 0.761 788 N N -0.241 118.477 118.700 0.030 0.000 2.802 788 N HA 0.333 5.068 4.740 -0.009 0.000 0.288 788 N C 0.092 175.651 175.510 0.083 0.000 1.268 788 N CA -0.596 52.488 53.050 0.057 0.000 1.035 788 N CB 0.030 38.541 38.487 0.039 0.000 1.353 788 N HN 0.178 nan 8.380 nan 0.000 0.522 789 A N -0.165 122.676 122.820 0.035 0.000 2.281 789 A HA 0.133 4.447 4.320 -0.009 0.000 0.271 789 A C 0.352 177.917 177.584 -0.033 0.000 1.196 789 A CA 0.163 52.179 52.037 -0.034 0.000 0.807 789 A CB -0.162 18.576 19.000 -0.436 0.000 1.138 789 A HN 0.625 nan 8.150 nan 0.000 0.506 790 Y N -3.994 116.414 120.300 0.181 0.000 4.899 790 Y HA -0.206 4.337 4.550 -0.011 0.000 0.241 790 Y C 0.448 175.887 175.900 -0.767 0.000 0.976 790 Y CA 0.956 58.991 58.100 -0.109 0.000 1.952 790 Y CB -2.040 36.470 38.460 0.084 0.000 1.496 790 Y HN 0.788 nan 8.280 nan 0.000 0.545 794 A N 2.912 125.488 122.820 -0.406 0.000 2.172 794 A HA 0.093 4.408 4.320 -0.009 0.000 0.216 794 A C 1.819 179.478 177.584 0.125 0.000 1.154 794 A CA 1.404 53.320 52.037 -0.202 0.000 0.701 794 A CB -0.273 18.625 19.000 -0.170 0.000 0.789 794 A HN 0.743 nan 8.150 nan 0.000 0.465 795 G N -1.864 107.174 108.800 0.397 0.000 3.519 795 G HA2 0.205 4.160 3.960 -0.009 0.000 0.269 795 G HA3 0.205 4.160 3.960 -0.009 0.000 0.269 795 G C 0.913 175.866 174.900 0.089 0.000 1.028 795 G CA -0.317 44.919 45.100 0.225 0.000 0.809 795 G HN 0.282 nan 8.290 nan 0.000 0.521 796 R N 0.792 121.348 120.500 0.094 0.000 2.466 796 R HA 0.305 4.640 4.340 -0.009 0.000 0.279 796 R C 1.282 177.627 176.300 0.075 0.000 0.976 796 R CA 0.505 56.618 56.100 0.022 0.000 1.081 796 R CB 0.213 30.514 30.300 0.003 0.000 1.215 796 R HN 0.419 nan 8.270 nan 0.000 0.546 797 G N 1.463 110.321 108.800 0.097 0.000 2.584 797 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.229 797 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.229 797 G C -0.133 174.859 174.900 0.153 0.000 1.320 797 G CA -0.739 44.429 45.100 0.112 0.000 0.891 797 G HN 0.173 nan 8.290 nan 0.000 0.573 798 I N 1.277 121.951 120.570 0.174 0.000 2.588 798 I HA 0.258 4.423 4.170 -0.009 0.000 0.283 798 I C 0.852 177.148 176.117 0.298 0.000 1.119 798 I CA -0.175 61.251 61.300 0.210 0.000 1.419 798 I CB 0.879 38.956 38.000 0.127 0.000 1.394 798 I HN 0.602 nan 8.210 nan 0.000 0.562 799 H N 6.502 125.705 119.070 0.221 0.000 2.487 799 H HA 0.396 4.946 4.556 -0.009 0.000 0.333 799 H C -0.775 174.704 175.328 0.251 0.000 1.114 799 H CA -0.473 55.702 56.048 0.212 0.000 1.310 799 H CB 0.841 30.722 29.762 0.199 0.000 1.462 799 H HN 0.475 nan 8.280 nan 0.000 0.516 800 K N 4.255 124.573 120.400 -0.136 0.000 2.318 800 K HA 0.530 4.845 4.320 -0.009 0.000 0.249 800 K C -1.481 175.037 176.600 -0.136 0.000 0.942 800 K CA -0.927 55.306 56.287 -0.091 0.000 0.808 800 K CB 2.146 34.608 32.500 -0.062 0.000 1.189 800 K HN 0.351 nan 8.250 nan 0.000 0.428 801 L N 2.071 123.232 121.223 -0.103 0.000 2.372 801 L HA 0.312 4.647 4.340 -0.009 0.000 0.273 801 L C -0.687 176.125 176.870 -0.097 0.000 0.989 801 L CA -0.650 54.172 54.840 -0.030 0.000 0.841 801 L CB 1.836 43.974 42.059 0.133 0.000 1.225 801 L HN 0.694 nan 8.230 nan 0.000 0.414 802 E N 5.053 125.200 120.200 -0.089 0.000 1.893 802 E HA 0.296 4.640 4.350 -0.009 0.000 0.269 802 E C -0.553 175.997 176.600 -0.084 0.000 1.129 802 E CA -0.162 56.186 56.400 -0.085 0.000 0.904 802 E CB 0.674 30.340 29.700 -0.055 0.000 1.077 802 E HN 0.457 nan 8.360 nan 0.000 0.407 803 I N 2.636 123.136 120.570 -0.117 0.000 2.325 803 I HA 0.148 4.313 4.170 -0.009 0.000 0.291 803 I C 0.346 176.369 176.117 -0.158 0.000 1.019 803 I CA -0.082 61.115 61.300 -0.171 0.000 1.302 803 I CB 0.693 38.589 38.000 -0.174 0.000 1.401 803 I HN 0.291 nan 8.210 nan 0.000 0.485 804 E N 4.923 125.012 120.200 -0.185 0.000 2.210 804 E HA 0.682 5.026 4.350 -0.009 0.000 0.266 804 E C -0.853 175.663 176.600 -0.139 0.000 0.883 804 E CA -0.692 55.582 56.400 -0.210 0.000 0.761 804 E CB 2.294 31.743 29.700 -0.419 0.000 1.156 804 E HN 0.732 nan 8.360 nan 0.000 0.412 805 A N 2.548 125.316 122.820 -0.087 0.000 2.294 805 A HA 0.543 4.858 4.320 -0.009 0.000 0.330 805 A C -1.045 176.524 177.584 -0.024 0.000 1.133 805 A CA -0.676 51.344 52.037 -0.029 0.000 0.836 805 A CB 0.755 19.757 19.000 0.004 0.000 1.190 805 A HN 0.507 nan 8.150 nan 0.000 0.492 806 L N 2.366 123.588 121.223 -0.002 0.000 2.261 806 L HA 0.403 4.737 4.340 -0.009 0.000 0.289 806 L C 0.610 177.470 176.870 -0.017 0.000 1.059 806 L CA 0.243 55.074 54.840 -0.016 0.000 0.816 806 L CB 0.625 42.669 42.059 -0.024 0.000 1.191 806 L HN 1.269 nan 8.230 nan 0.000 0.431 807 V N 6.354 126.257 119.914 -0.018 0.000 5.746 807 V HA -0.138 3.977 4.120 -0.009 0.000 0.220 807 V C 0.450 176.542 176.094 -0.003 0.000 0.688 807 V CA 0.900 63.192 62.300 -0.012 0.000 0.550 807 V CB -1.784 30.031 31.823 -0.014 0.000 0.219 807 V HN 2.472 nan 8.190 nan 0.000 0.512 808 A N 2.649 125.472 122.820 0.005 0.000 2.406 808 A HA 0.136 4.451 4.320 -0.009 0.000 0.675 808 A C -0.170 177.437 177.584 0.039 0.000 0.167 808 A CA 1.058 53.107 52.037 0.019 0.000 0.098 808 A CB -0.500 18.510 19.000 0.016 0.000 3.910 808 A HN 1.462 nan 8.150 nan 0.000 0.539 809 E N 1.621 121.857 120.200 0.060 0.000 2.321 809 E HA 0.328 4.673 4.350 -0.009 0.000 0.278 809 E C -1.579 175.080 176.600 0.099 0.000 0.902 809 E CA -0.808 55.653 56.400 0.101 0.000 0.758 809 E CB 1.600 31.391 29.700 0.152 0.000 1.213 809 E HN 0.624 nan 8.360 nan 0.000 0.426 810 D N 1.708 122.169 120.400 0.101 0.000 2.346 810 D HA 0.054 4.689 4.640 -0.009 0.000 0.267 810 D C -0.069 176.292 176.300 0.103 0.000 1.320 810 D CA 0.174 54.226 54.000 0.087 0.000 0.951 810 D CB 0.588 41.428 40.800 0.067 0.000 1.079 810 D HN 0.038 nan 8.370 nan 0.000 0.509 811 V N 3.334 123.319 119.914 0.118 0.000 2.461 811 V HA 0.266 4.380 4.120 -0.009 0.000 0.275 811 V C -0.408 175.781 176.094 0.159 0.000 1.047 811 V CA -0.160 62.219 62.300 0.131 0.000 0.955 811 V CB 1.149 33.042 31.823 0.117 0.000 0.988 811 V HN 0.561 nan 8.190 nan 0.000 0.471 812 Q N 7.295 127.143 119.800 0.080 0.000 3.550 812 Q HA 0.443 4.778 4.340 -0.009 0.000 0.206 812 Q C -2.869 173.059 176.000 -0.120 0.000 0.891 812 Q CA -1.418 54.414 55.803 0.048 0.000 0.737 812 Q CB 2.008 30.763 28.738 0.028 0.000 1.417 812 Q HN 0.615 nan 8.270 nan 0.000 0.460 813 P HA 0.045 nan 4.420 nan 0.000 0.272 813 P C -1.338 175.656 177.300 -0.509 0.000 1.230 813 P CA 0.024 62.735 63.100 -0.648 0.000 0.788 813 P CB 0.676 31.525 31.700 -1.418 0.000 0.949 814 Q N 1.337 120.966 119.800 -0.284 0.000 2.281 814 Q HA 0.500 4.835 4.340 -0.009 0.000 0.263 814 Q C -2.171 173.841 176.000 0.021 0.000 0.989 814 Q CA -0.599 55.191 55.803 -0.022 0.000 0.852 814 Q CB 1.301 30.008 28.738 -0.052 0.000 1.337 814 Q HN 0.299 nan 8.270 nan 0.000 0.418 815 L N 4.181 125.459 121.223 0.093 0.000 2.372 815 L HA 0.511 4.846 4.340 -0.009 0.000 0.274 815 L C -1.529 175.279 176.870 -0.103 0.000 0.988 815 L CA -0.133 54.660 54.840 -0.077 0.000 0.833 815 L CB 1.800 43.709 42.059 -0.250 0.000 1.236 815 L HN 0.848 nan 8.230 nan 0.000 0.410 816 Q N 5.957 125.712 119.800 -0.076 0.000 2.357 816 Q HA 0.428 4.762 4.340 -0.009 0.000 0.266 816 Q C -0.822 175.157 176.000 -0.035 0.000 1.021 816 Q CA -0.601 55.167 55.803 -0.059 0.000 0.784 816 Q CB 2.565 31.280 28.738 -0.037 0.000 1.243 816 Q HN 0.592 nan 8.270 nan 0.000 0.465 817 L N 3.647 124.841 121.223 -0.048 0.000 2.433 817 L HA 0.120 4.455 4.340 -0.009 0.000 0.284 817 L C 1.196 178.071 176.870 0.008 0.000 1.120 817 L CA 0.176 55.017 54.840 0.002 0.000 0.879 817 L CB 0.142 42.181 42.059 -0.035 0.000 1.232 817 L HN 0.513 nan 8.230 nan 0.000 0.454 818 K N 1.860 122.282 120.400 0.036 0.000 2.166 818 K HA 0.080 4.395 4.320 -0.009 0.000 0.201 818 K C 0.113 176.731 176.600 0.030 0.000 1.052 818 K CA 0.546 56.843 56.287 0.018 0.000 0.969 818 K CB 0.283 32.788 32.500 0.009 0.000 0.761 818 K HN 0.646 nan 8.250 nan 0.000 0.459 819 N N -0.007 118.739 118.700 0.076 0.000 2.235 819 N HA 0.330 5.065 4.740 -0.009 0.000 0.293 819 N C -1.577 173.994 175.510 0.101 0.000 1.083 819 N CA -0.708 52.403 53.050 0.101 0.000 0.801 819 N CB 1.815 40.389 38.487 0.145 0.000 1.559 819 N HN -0.110 nan 8.380 nan 0.000 0.472 820 A N 1.024 123.892 122.820 0.080 0.000 2.260 820 A HA 0.508 4.823 4.320 -0.009 0.000 0.314 820 A C -0.290 177.260 177.584 -0.057 0.000 1.257 820 A CA -0.654 51.370 52.037 -0.021 0.000 0.871 820 A CB 0.347 19.309 19.000 -0.064 0.000 1.166 820 A HN 0.665 nan 8.150 nan 0.000 0.522 821 E N 1.381 121.381 120.200 -0.332 0.000 2.179 821 E HA 0.501 4.846 4.350 -0.009 0.000 0.275 821 E C -0.542 175.697 176.600 -0.601 0.000 0.945 821 E CA -0.865 55.260 56.400 -0.459 0.000 0.792 821 E CB 2.206 31.463 29.700 -0.738 0.000 1.125 821 E HN 0.575 nan 8.360 nan 0.000 0.397 822 V N -0.132 119.588 119.914 -0.324 0.000 2.815 822 V HA 0.559 4.673 4.120 -0.009 0.000 0.314 822 V C -0.521 175.447 176.094 -0.211 0.000 1.064 822 V CA -0.795 61.350 62.300 -0.259 0.000 0.952 822 V CB 1.867 33.612 31.823 -0.131 0.000 1.020 822 V HN 0.424 nan 8.190 nan 0.000 0.439 823 V N 5.320 125.157 119.914 -0.129 0.000 2.407 823 V HA 0.446 4.560 4.120 -0.009 0.000 0.278 823 V C -0.333 175.759 176.094 -0.003 0.000 1.037 823 V CA -0.411 61.858 62.300 -0.051 0.000 0.900 823 V CB 1.055 32.905 31.823 0.045 0.000 0.983 823 V HN 0.720 nan 8.190 nan 0.000 0.459 824 L N 6.302 127.527 121.223 0.003 0.000 2.276 824 L HA 0.470 4.805 4.340 -0.009 0.000 0.286 824 L C 0.316 177.352 176.870 0.277 0.000 1.024 824 L CA -0.149 54.763 54.840 0.119 0.000 0.826 824 L CB 1.061 43.170 42.059 0.084 0.000 1.211 824 L HN 0.543 nan 8.230 nan 0.000 0.422 825 K N 4.376 124.901 120.400 0.209 0.000 2.144 825 K HA 0.428 4.743 4.320 -0.009 0.000 0.270 825 K C -2.274 174.317 176.600 -0.015 0.000 1.005 825 K CA -1.676 54.703 56.287 0.153 0.000 0.932 825 K CB 0.795 33.330 32.500 0.058 0.000 1.021 825 K HN 0.256 nan 8.250 nan 0.000 0.462 826 P HA -0.031 nan 4.420 nan 0.000 0.271 826 P C 0.500 177.576 177.300 -0.373 0.000 1.233 826 P CA 0.044 62.718 63.100 -0.710 0.000 0.764 826 P CB 0.718 32.161 31.700 -0.428 0.000 0.825 827 T N 0.698 115.028 114.554 -0.374 0.000 2.809 827 T HA -0.072 4.273 4.350 -0.009 0.000 0.260 827 T C 0.493 175.096 174.700 -0.162 0.000 1.039 827 T CA 0.678 62.665 62.100 -0.189 0.000 1.141 827 T CB -0.379 68.412 68.868 -0.129 0.000 0.869 827 T HN 0.551 nan 8.240 nan 0.000 0.437 828 E N 0.077 120.159 120.200 -0.198 0.000 2.369 828 E HA 0.666 5.010 4.350 -0.009 0.000 0.270 828 E C -1.486 175.023 176.600 -0.151 0.000 0.909 828 E CA -1.545 54.772 56.400 -0.138 0.000 0.775 828 E CB 2.018 31.658 29.700 -0.100 0.000 1.270 828 E HN 0.185 nan 8.360 nan 0.000 0.445 829 A N 2.447 125.209 122.820 -0.097 0.000 3.127 829 A HA 0.293 4.608 4.320 -0.009 0.000 0.319 829 A C -0.919 176.636 177.584 -0.048 0.000 1.104 829 A CA -0.794 51.197 52.037 -0.076 0.000 0.802 829 A CB 0.177 19.138 19.000 -0.065 0.000 1.193 829 A HN 0.428 nan 8.150 nan 0.000 0.479 830 K N 1.483 121.857 120.400 -0.044 0.000 2.297 830 K HA 0.477 4.791 4.320 -0.009 0.000 0.286 830 K C -0.683 175.909 176.600 -0.013 0.000 1.053 830 K CA 0.078 56.349 56.287 -0.026 0.000 0.940 830 K CB 1.215 33.701 32.500 -0.025 0.000 1.019 830 K HN 0.600 nan 8.250 nan 0.000 0.475 831 I N 2.708 123.279 120.570 0.001 0.000 2.312 831 I HA 0.121 4.285 4.170 -0.009 0.000 0.290 831 I C -0.307 175.850 176.117 0.067 0.000 1.008 831 I CA -0.286 61.029 61.300 0.026 0.000 1.226 831 I CB 1.375 39.380 38.000 0.008 0.000 1.371 831 I HN 0.505 nan 8.210 nan 0.000 0.468 832 S N 6.990 122.752 115.700 0.103 0.000 2.538 832 S HA 0.521 4.985 4.470 -0.009 0.000 0.288 832 S C -2.678 172.032 174.600 0.184 0.000 1.108 832 S CA -1.513 56.761 58.200 0.123 0.000 0.971 832 S CB 1.971 65.203 63.200 0.052 0.000 1.041 832 S HN 0.293 nan 8.310 nan 0.000 0.483 833 P HA 0.286 nan 4.420 nan 0.000 0.271 833 P C -0.423 176.805 177.300 -0.121 0.000 1.216 833 P CA -0.281 62.751 63.100 -0.114 0.000 0.771 833 P CB 0.432 32.055 31.700 -0.127 0.000 0.864 834 L N 0.940 122.049 121.223 -0.189 0.000 2.977 834 L HA 0.293 4.627 4.340 -0.009 0.000 0.175 834 L C 1.259 178.061 176.870 -0.113 0.000 1.360 834 L CA -0.489 54.282 54.840 -0.114 0.000 1.392 834 L CB -0.424 41.572 42.059 -0.105 0.000 2.342 834 L HN 0.326 nan 8.230 nan 0.000 0.524 835 S N -0.759 114.888 115.700 -0.088 0.000 2.572 835 S HA 0.229 4.694 4.470 -0.009 0.000 0.279 835 S C 0.634 175.185 174.600 -0.083 0.000 1.341 835 S CA 0.035 58.194 58.200 -0.069 0.000 1.043 835 S CB 1.225 64.389 63.200 -0.060 0.000 0.887 835 S HN 0.550 nan 8.310 nan 0.000 0.516 836 A N 3.729 126.516 122.820 -0.055 0.000 2.147 836 A HA 0.178 4.492 4.320 -0.009 0.000 0.211 836 A C 2.012 179.580 177.584 -0.026 0.000 1.160 836 A CA 0.812 52.820 52.037 -0.048 0.000 0.781 836 A CB -0.631 18.351 19.000 -0.029 0.000 0.842 836 A HN 0.795 nan 8.150 nan 0.000 0.475 837 T N -0.803 113.742 114.554 -0.014 0.000 2.814 837 T HA 0.014 4.358 4.350 -0.009 0.000 0.254 837 T C 2.170 176.860 174.700 -0.016 0.000 1.037 837 T CA 0.934 63.039 62.100 0.008 0.000 1.143 837 T CB -0.049 68.845 68.868 0.044 0.000 0.866 837 T HN 0.363 nan 8.240 nan 0.000 0.431 838 R N 1.005 121.469 120.500 -0.060 0.000 2.041 838 R HA 0.066 4.401 4.340 -0.009 0.000 0.221 838 R C 0.309 176.538 176.300 -0.117 0.000 1.196 838 R CA 0.838 56.863 56.100 -0.126 0.000 0.969 838 R CB -0.163 29.990 30.300 -0.244 0.000 0.858 838 R HN 0.294 nan 8.270 nan 0.000 0.444 839 D N 1.926 122.256 120.400 -0.115 0.000 2.688 839 D HA 0.109 4.744 4.640 -0.009 0.000 0.228 839 D C -0.868 175.373 176.300 -0.099 0.000 1.116 839 D CA 0.346 54.281 54.000 -0.108 0.000 1.023 839 D CB 0.643 41.379 40.800 -0.107 0.000 1.100 839 D HN -0.091 nan 8.370 nan 0.000 0.487 840 V N 2.687 122.553 119.914 -0.080 0.000 2.509 840 V HA 0.224 4.339 4.120 -0.009 0.000 0.289 840 V C 0.260 176.328 176.094 -0.042 0.000 1.026 840 V CA -0.785 61.478 62.300 -0.060 0.000 0.872 840 V CB 1.786 33.579 31.823 -0.049 0.000 1.017 840 V HN 0.197 nan 8.190 nan 0.000 0.436 841 I N 6.396 126.948 120.570 -0.031 0.000 2.452 841 I HA 0.257 4.422 4.170 -0.009 0.000 0.287 841 I C -2.135 173.990 176.117 0.014 0.000 1.079 841 I CA -1.650 59.639 61.300 -0.019 0.000 1.387 841 I CB 0.863 38.855 38.000 -0.013 0.000 1.404 841 I HN 0.332 nan 8.210 nan 0.000 0.522 842 P HA -0.031 nan 4.420 nan 0.000 0.265 842 P C -0.970 176.389 177.300 0.099 0.000 1.187 842 P CA 0.253 63.398 63.100 0.074 0.000 0.766 842 P CB 0.433 32.207 31.700 0.124 0.000 0.820 843 D N 2.427 122.875 120.400 0.080 0.000 2.461 843 D HA 0.381 5.016 4.640 -0.009 0.000 0.240 843 D C 1.090 177.418 176.300 0.047 0.000 1.094 843 D CA 0.133 54.171 54.000 0.063 0.000 0.868 843 D CB 0.752 41.588 40.800 0.060 0.000 1.062 843 D HN 0.592 nan 8.370 nan 0.000 0.530 844 G N 2.888 111.711 108.800 0.038 0.000 2.134 844 G HA2 -0.262 3.693 3.960 -0.009 0.000 0.209 844 G HA3 -0.262 3.693 3.960 -0.009 0.000 0.209 844 G C 0.347 175.271 174.900 0.041 0.000 0.993 844 G CA -0.610 44.511 45.100 0.035 0.000 0.669 844 G HN 0.444 nan 8.290 nan 0.000 0.519 845 R N 0.554 121.076 120.500 0.037 0.000 2.408 845 R HA 0.348 4.683 4.340 -0.009 0.000 0.308 845 R C 0.371 176.681 176.300 0.017 0.000 1.210 845 R CA -0.527 55.601 56.100 0.048 0.000 1.115 845 R CB 0.712 31.040 30.300 0.046 0.000 1.127 845 R HN 0.347 nan 8.270 nan 0.000 0.523 846 Q N 2.053 121.856 119.800 0.006 0.000 2.313 846 Q HA 0.102 4.437 4.340 -0.009 0.000 0.266 846 Q C -0.771 175.134 176.000 -0.158 0.000 0.989 846 Q CA 0.013 55.733 55.803 -0.139 0.000 0.890 846 Q CB 1.173 29.746 28.738 -0.275 0.000 1.200 846 Q HN 0.310 nan 8.270 nan 0.000 0.396 847 V N 6.680 126.483 119.914 -0.185 0.000 2.364 847 V HA 0.254 4.369 4.120 -0.009 0.000 0.272 847 V C -0.676 175.327 176.094 -0.151 0.000 1.036 847 V CA -0.429 61.828 62.300 -0.071 0.000 0.880 847 V CB -0.184 31.611 31.823 -0.047 0.000 0.991 847 V HN 0.698 nan 8.190 nan 0.000 0.460 848 Y N 3.293 123.617 120.300 0.040 0.000 2.403 848 Y HA 0.576 5.121 4.550 -0.009 0.000 0.323 848 Y C 0.524 176.436 175.900 0.021 0.000 1.226 848 Y CA -0.886 57.232 58.100 0.031 0.000 1.235 848 Y CB 1.143 39.630 38.460 0.046 0.000 1.248 848 Y HN 0.672 nan 8.280 nan 0.000 0.489 849 Q N 0.847 120.734 119.800 0.145 0.000 2.353 849 Q HA 0.455 4.790 4.340 -0.009 0.000 0.268 849 Q C -1.472 174.540 176.000 0.021 0.000 1.045 849 Q CA -1.133 54.688 55.803 0.031 0.000 0.811 849 Q CB 1.862 30.563 28.738 -0.061 0.000 1.305 849 Q HN 0.500 nan 8.270 nan 0.000 0.447 850 N N 3.291 121.975 118.700 -0.028 0.000 2.501 850 N HA 0.212 4.947 4.740 -0.009 0.000 0.245 850 N C -1.511 173.946 175.510 -0.088 0.000 0.974 850 N CA -0.522 52.502 53.050 -0.043 0.000 0.941 850 N CB 0.968 39.430 38.487 -0.040 0.000 1.122 850 N HN 0.709 nan 8.380 nan 0.000 0.507 851 L N 5.427 126.607 121.223 -0.073 0.000 2.261 851 L HA 0.425 4.760 4.340 -0.009 0.000 0.289 851 L C -0.790 176.056 176.870 -0.040 0.000 1.059 851 L CA -0.403 54.391 54.840 -0.076 0.000 0.816 851 L CB 0.190 42.212 42.059 -0.062 0.000 1.191 851 L HN 0.466 nan 8.230 nan 0.000 0.431 852 L N 4.803 126.032 121.223 0.009 0.000 2.295 852 L HA 0.580 4.914 4.340 -0.009 0.000 0.285 852 L C 0.325 177.193 176.870 -0.004 0.000 1.035 852 L CA -0.513 54.316 54.840 -0.018 0.000 0.806 852 L CB 1.574 43.708 42.059 0.125 0.000 1.214 852 L HN 0.631 nan 8.230 nan 0.000 0.426 853 A N 3.612 126.287 122.820 -0.241 0.000 2.312 853 A HA 0.890 5.205 4.320 -0.009 0.000 0.328 853 A C -1.068 176.242 177.584 -0.456 0.000 1.158 853 A CA -0.258 51.695 52.037 -0.140 0.000 0.821 853 A CB 0.747 19.688 19.000 -0.098 0.000 1.170 853 A HN 0.554 nan 8.150 nan 0.000 0.490 854 F N 0.326 120.312 119.950 0.060 0.000 2.613 854 F HA 0.443 4.965 4.527 -0.009 0.000 0.310 854 F C -0.365 175.476 175.800 0.069 0.000 1.085 854 F CA -0.793 57.234 58.000 0.045 0.000 0.945 854 F CB 2.438 41.449 39.000 0.018 0.000 1.298 854 F HN 0.464 nan 8.300 nan 0.000 0.455 855 N N 2.315 121.158 118.700 0.238 0.000 2.442 855 N HA 0.536 5.271 4.740 -0.009 0.000 0.274 855 N C -1.472 174.142 175.510 0.174 0.000 1.002 855 N CA -0.418 52.742 53.050 0.183 0.000 0.910 855 N CB 2.021 40.581 38.487 0.122 0.000 1.244 855 N HN 0.593 nan 8.380 nan 0.000 0.492 856 L N 1.818 123.154 121.223 0.189 0.000 2.334 856 L HA 0.640 4.975 4.340 -0.009 0.000 0.272 856 L C -0.705 176.310 176.870 0.242 0.000 1.020 856 L CA -0.547 54.397 54.840 0.173 0.000 0.812 856 L CB 1.283 43.397 42.059 0.092 0.000 1.264 856 L HN 0.393 nan 8.230 nan 0.000 0.439 857 N N 3.175 122.018 118.700 0.238 0.000 2.607 857 N HA 0.244 4.979 4.740 -0.009 0.000 0.271 857 N C -1.558 174.108 175.510 0.260 0.000 1.142 857 N CA -0.252 52.937 53.050 0.232 0.000 0.810 857 N CB 1.800 40.370 38.487 0.138 0.000 1.306 857 N HN 0.342 nan 8.380 nan 0.000 0.536 858 V N 2.296 122.413 119.914 0.338 0.000 2.488 858 V HA 0.364 4.479 4.120 -0.009 0.000 0.277 858 V C 1.343 177.563 176.094 0.210 0.000 1.046 858 V CA -0.040 62.459 62.300 0.330 0.000 0.986 858 V CB 1.063 33.088 31.823 0.338 0.000 0.989 858 V HN 0.698 nan 8.190 nan 0.000 0.475 859 A N 4.531 127.439 122.820 0.147 0.000 1.963 859 A HA 0.259 4.574 4.320 -0.009 0.000 0.207 859 A C 1.011 178.644 177.584 0.082 0.000 1.243 859 A CA 0.404 52.491 52.037 0.084 0.000 0.728 859 A CB 0.218 19.238 19.000 0.033 0.000 0.895 859 A HN 0.671 nan 8.150 nan 0.000 0.467 860 K N 0.071 120.530 120.400 0.097 0.000 2.378 860 K HA 0.631 4.946 4.320 -0.009 0.000 0.252 860 K C -0.535 176.140 176.600 0.125 0.000 0.931 860 K CA -0.517 55.823 56.287 0.088 0.000 0.794 860 K CB 1.763 34.298 32.500 0.057 0.000 1.181 860 K HN 0.226 nan 8.250 nan 0.000 0.425 861 A N 2.457 125.336 122.820 0.098 0.000 2.546 861 A HA 0.463 4.778 4.320 -0.009 0.000 0.243 861 A C -0.404 177.234 177.584 0.089 0.000 1.063 861 A CA 0.637 52.730 52.037 0.093 0.000 0.757 861 A CB -0.205 18.834 19.000 0.065 0.000 0.991 861 A HN 0.855 nan 8.150 nan 0.000 0.503 862 A N 2.811 125.681 122.820 0.083 0.000 2.608 862 A HA 0.586 4.901 4.320 -0.009 0.000 0.292 862 A C -1.363 176.227 177.584 0.010 0.000 1.066 862 A CA -0.883 51.197 52.037 0.071 0.000 0.676 862 A CB 0.716 19.816 19.000 0.167 0.000 1.277 862 A HN 0.703 nan 8.150 nan 0.000 0.413 863 D N 0.955 121.361 120.400 0.011 0.000 2.383 863 D HA 0.427 5.062 4.640 -0.009 0.000 0.252 863 D C -0.340 176.035 176.300 0.125 0.000 1.166 863 D CA 0.584 54.611 54.000 0.045 0.000 0.879 863 D CB 1.128 41.917 40.800 -0.019 0.000 1.164 863 D HN 0.270 nan 8.370 nan 0.000 0.462 864 V N 1.758 121.713 119.914 0.069 0.000 2.656 864 V HA 0.454 4.569 4.120 -0.009 0.000 0.307 864 V C 0.044 176.005 176.094 -0.223 0.000 1.051 864 V CA -0.857 61.351 62.300 -0.153 0.000 0.893 864 V CB 2.027 33.492 31.823 -0.596 0.000 0.999 864 V HN 0.644 nan 8.190 nan 0.000 0.426 865 S N 5.312 120.712 115.700 -0.501 0.000 2.501 865 S HA 0.845 5.310 4.470 -0.009 0.000 0.301 865 S C -0.882 173.486 174.600 -0.386 0.000 1.096 865 S CA -0.637 57.151 58.200 -0.688 0.000 1.063 865 S CB 1.474 63.877 63.200 -1.328 0.000 1.042 865 S HN 0.519 nan 8.310 nan 0.000 0.494 866 I N 3.373 123.717 120.570 -0.378 0.000 2.465 866 I HA 0.559 4.724 4.170 -0.009 0.000 0.291 866 I C -1.210 174.627 176.117 -0.467 0.000 1.014 866 I CA -0.953 59.968 61.300 -0.632 0.000 1.093 866 I CB 1.791 39.020 38.000 -1.285 0.000 1.267 866 I HN 0.913 nan 8.210 nan 0.000 0.431 867 Y N 4.020 124.015 120.300 -0.509 0.000 2.609 867 Y HA 0.834 5.378 4.550 -0.009 0.000 0.336 867 Y C -1.230 174.536 175.900 -0.223 0.000 1.129 867 Y CA -1.571 56.373 58.100 -0.260 0.000 1.040 867 Y CB 1.406 39.859 38.460 -0.011 0.000 1.310 867 Y HN 0.498 nan 8.280 nan 0.000 0.460 868 A N 3.870 126.691 122.820 0.003 0.000 2.412 868 A HA 0.602 4.917 4.320 -0.009 0.000 0.334 868 A C -2.301 175.365 177.584 0.138 0.000 1.419 868 A CA -1.956 50.080 52.037 -0.001 0.000 0.930 868 A CB 0.262 19.363 19.000 0.167 0.000 1.149 868 A HN 0.657 nan 8.150 nan 0.000 0.515 869 P HA -0.252 nan 4.420 nan 0.000 0.217 869 P C 1.625 178.958 177.300 0.053 0.000 1.162 869 P CA 1.718 64.903 63.100 0.142 0.000 0.901 869 P CB -0.102 31.639 31.700 0.069 0.000 0.793 870 I N -5.244 115.275 120.570 -0.085 0.000 2.614 870 I HA -0.119 4.045 4.170 -0.009 0.000 0.258 870 I C 1.663 177.572 176.117 -0.347 0.000 1.189 870 I CA 2.013 63.154 61.300 -0.266 0.000 1.462 870 I CB -1.589 36.124 38.000 -0.478 0.000 1.092 870 I HN -0.113 nan 8.210 nan 0.000 0.442 871 F N 0.704 120.703 119.950 0.081 0.000 2.553 871 F HA 0.271 4.793 4.527 -0.008 0.000 0.282 871 F C 1.407 177.241 175.800 0.057 0.000 1.089 871 F CA -0.449 57.599 58.000 0.081 0.000 1.411 871 F CB -0.730 38.304 39.000 0.056 0.000 1.125 871 F HN 0.009 nan 8.300 nan 0.000 0.610 872 N N 1.259 120.105 118.700 0.243 0.000 2.329 872 N HA -0.082 4.652 4.740 -0.009 0.000 0.237 872 N C 0.186 175.727 175.510 0.053 0.000 1.258 872 N CA 1.352 54.481 53.050 0.132 0.000 0.866 872 N CB 0.394 39.022 38.487 0.234 0.000 1.102 872 N HN 0.286 nan 8.380 nan 0.000 0.440 873 D N -0.977 119.382 120.400 -0.068 0.000 2.139 873 D HA -0.190 4.445 4.640 -0.009 0.000 0.166 873 D C -0.801 175.519 176.300 0.033 0.000 1.145 873 D CA 0.713 54.755 54.000 0.070 0.000 1.097 873 D CB -0.813 40.037 40.800 0.083 0.000 1.164 873 D HN 0.279 nan 8.370 nan 0.000 0.513 874 L N 1.249 122.449 121.223 -0.039 0.000 2.356 874 L HA 0.423 4.758 4.340 -0.009 0.000 0.277 874 L C 0.747 177.601 176.870 -0.026 0.000 0.996 874 L CA -0.407 54.425 54.840 -0.014 0.000 0.822 874 L CB 1.983 44.083 42.059 0.069 0.000 1.256 874 L HN -0.006 nan 8.230 nan 0.000 0.413 875 L N 2.497 123.714 121.223 -0.010 0.000 2.783 875 L HA 0.319 4.654 4.340 -0.009 0.000 0.174 875 L C 0.457 177.248 176.870 -0.133 0.000 1.235 875 L CA 0.704 55.492 54.840 -0.086 0.000 0.862 875 L CB 0.002 42.010 42.059 -0.085 0.000 1.249 875 L HN 0.414 nan 8.230 nan 0.000 0.518 876 Y N 1.497 121.813 120.300 0.026 0.000 2.433 876 Y HA 0.055 4.600 4.550 -0.009 0.000 0.411 876 Y C 1.531 177.437 175.900 0.010 0.000 1.383 876 Y CA 0.568 58.681 58.100 0.023 0.000 1.896 876 Y CB -0.131 38.327 38.460 -0.003 0.000 1.750 876 Y HN 0.430 nan 8.280 nan 0.000 0.627 877 E N -1.353 118.982 120.200 0.225 0.000 3.049 877 E HA -0.310 4.035 4.350 -0.009 0.000 0.272 877 E C -0.898 175.898 176.600 0.326 0.000 1.051 877 E CA 0.980 57.496 56.400 0.195 0.000 0.813 877 E CB -1.651 27.931 29.700 -0.197 0.000 1.409 877 E HN 0.591 nan 8.360 nan 0.000 0.454 878 A N 0.316 123.287 122.820 0.251 0.000 2.294 878 A HA 0.469 4.783 4.320 -0.009 0.000 0.330 878 A C 0.884 178.612 177.584 0.240 0.000 1.133 878 A CA 0.189 52.402 52.037 0.294 0.000 0.836 878 A CB 1.326 20.496 19.000 0.283 0.000 1.190 878 A HN 0.149 nan 8.150 nan 0.000 0.492 879 E N 0.719 121.032 120.200 0.189 0.000 2.106 879 E HA 0.002 4.347 4.350 -0.009 0.000 0.192 879 E C -0.422 176.126 176.600 -0.087 0.000 0.984 879 E CA 1.179 57.554 56.400 -0.041 0.000 0.806 879 E CB -0.233 29.292 29.700 -0.292 0.000 0.750 879 E HN 0.579 nan 8.360 nan 0.000 0.458 880 F N 0.520 120.660 119.950 0.317 0.000 2.432 880 F HA 0.264 4.785 4.527 -0.009 0.000 0.329 880 F C 1.367 177.270 175.800 0.171 0.000 1.076 880 F CA -0.457 57.737 58.000 0.324 0.000 1.018 880 F CB 1.165 40.346 39.000 0.301 0.000 1.201 880 F HN -0.014 nan 8.300 nan 0.000 0.489 881 E N -0.068 120.297 120.200 0.275 0.000 2.451 881 E HA 0.234 4.579 4.350 -0.009 0.000 0.194 881 E C -0.388 176.243 176.600 0.051 0.000 1.027 881 E CA -0.053 56.412 56.400 0.109 0.000 0.914 881 E CB 0.613 30.336 29.700 0.038 0.000 1.054 881 E HN 0.373 nan 8.360 nan 0.000 0.461 882 S N -0.247 115.479 115.700 0.043 0.000 2.543 882 S HA 0.269 4.734 4.470 -0.009 0.000 0.274 882 S C -1.589 172.887 174.600 -0.206 0.000 1.149 882 S CA -0.648 57.510 58.200 -0.069 0.000 0.866 882 S CB 1.666 64.814 63.200 -0.087 0.000 1.111 882 S HN 0.281 nan 8.310 nan 0.000 0.457 888 F N 2.392 122.493 119.950 0.253 0.000 2.470 888 F HA 0.552 5.074 4.527 -0.009 0.000 0.329 888 F C 0.868 176.797 175.800 0.214 0.000 1.072 888 F CA -0.268 57.856 58.000 0.207 0.000 0.989 888 F CB 1.199 40.369 39.000 0.283 0.000 1.193 888 F HN 0.531 nan 8.300 nan 0.000 0.481 889 D N 0.694 121.262 120.400 0.280 0.000 2.393 889 D HA 0.276 4.910 4.640 -0.009 0.000 0.246 889 D C 0.989 177.260 176.300 -0.048 0.000 1.275 889 D CA 0.226 54.252 54.000 0.044 0.000 0.979 889 D CB 1.227 41.978 40.800 -0.082 0.000 1.101 889 D HN 0.558 nan 8.370 nan 0.000 0.505 890 A N 1.054 123.758 122.820 -0.192 0.000 2.119 890 A HA -0.107 4.207 4.320 -0.009 0.000 0.217 890 A C 1.241 178.760 177.584 -0.109 0.000 1.153 890 A CA 0.860 52.819 52.037 -0.131 0.000 0.692 890 A CB -0.250 18.654 19.000 -0.160 0.000 0.799 890 A HN 0.525 nan 8.150 nan 0.000 0.458 891 N N -0.534 118.057 118.700 -0.181 0.000 2.235 891 N HA 0.114 4.848 4.740 -0.009 0.000 0.209 891 N C -0.224 175.108 175.510 -0.298 0.000 1.122 891 N CA 0.387 53.310 53.050 -0.212 0.000 0.845 891 N CB 0.448 38.712 38.487 -0.372 0.000 1.004 891 N HN 0.499 nan 8.380 nan 0.000 0.499 892 K N -1.338 118.847 120.400 -0.357 0.000 3.548 892 K HA -0.157 4.157 4.320 -0.009 0.000 0.296 892 K C 0.277 176.639 176.600 -0.396 0.000 1.324 892 K CA 0.742 56.597 56.287 -0.719 0.000 0.976 892 K CB -1.578 30.306 32.500 -1.026 0.000 1.294 892 K HN 0.292 nan 8.250 nan 0.000 0.464 893 A N 1.076 123.774 122.820 -0.204 0.000 2.366 893 A HA 0.451 4.765 4.320 -0.009 0.000 0.250 893 A C 0.134 177.812 177.584 0.157 0.000 1.099 893 A CA -0.095 51.886 52.037 -0.092 0.000 0.794 893 A CB 0.345 19.227 19.000 -0.196 0.000 1.056 893 A HN 0.303 nan 8.150 nan 0.000 0.499 894 L N 1.947 123.232 121.223 0.104 0.000 2.272 894 L HA 0.449 4.783 4.340 -0.009 0.000 0.289 894 L C 0.214 177.066 176.870 -0.030 0.000 1.032 894 L CA -0.514 54.353 54.840 0.045 0.000 0.810 894 L CB 1.431 43.481 42.059 -0.016 0.000 1.205 894 L HN 0.468 nan 8.230 nan 0.000 0.422 895 V N 4.462 124.353 119.914 -0.038 0.000 2.795 895 V HA 0.471 4.586 4.120 -0.009 0.000 0.243 895 V C 0.742 176.800 176.094 -0.060 0.000 1.069 895 V CA 0.856 63.153 62.300 -0.005 0.000 1.089 895 V CB 0.017 31.892 31.823 0.086 0.000 0.756 895 V HN 0.841 nan 8.190 nan 0.000 0.471 896 A N -1.004 121.749 122.820 -0.112 0.000 2.564 896 A HA 0.753 5.067 4.320 -0.009 0.000 0.291 896 A C -0.639 176.759 177.584 -0.310 0.000 1.102 896 A CA 0.239 52.194 52.037 -0.136 0.000 0.660 896 A CB 1.812 20.814 19.000 0.004 0.000 1.283 896 A HN 0.140 nan 8.150 nan 0.000 0.430 897 T N -0.760 113.478 114.554 -0.527 0.000 3.579 897 T HA 0.619 4.964 4.350 -0.009 0.000 0.360 897 T C -0.316 173.724 174.700 -1.100 0.000 1.285 897 T CA 0.568 62.160 62.100 -0.847 0.000 1.127 897 T CB 0.623 69.179 68.868 -0.519 0.000 1.244 897 T HN 2.173 nan 8.240 nan 0.000 0.476 898 G N 2.676 110.317 108.800 -1.932 0.000 3.015 898 G HA2 0.741 4.696 3.960 -0.009 0.000 0.281 898 G HA3 0.741 4.696 3.960 -0.009 0.000 0.281 898 G C -1.301 173.107 174.900 -0.820 0.000 1.386 898 G CA -0.489 43.838 45.100 -1.288 0.000 0.959 898 G HN 0.777 nan 8.290 nan 0.000 0.522 899 D N -1.802 118.432 120.400 -0.276 0.000 3.703 899 D HA 0.573 5.208 4.640 -0.009 0.000 0.315 899 D C 0.382 176.704 176.300 0.036 0.000 1.464 899 D CA 0.249 54.191 54.000 -0.097 0.000 0.982 899 D CB 0.641 41.374 40.800 -0.112 0.000 1.391 899 D HN 0.668 nan 8.370 nan 0.000 0.625 900 A N -0.095 122.698 122.820 -0.045 0.000 2.498 900 A HA 0.342 4.657 4.320 -0.009 0.000 0.239 900 A C -0.374 177.113 177.584 -0.161 0.000 1.068 900 A CA 0.522 52.440 52.037 -0.198 0.000 0.766 900 A CB -0.352 18.415 19.000 -0.389 0.000 1.003 900 A HN 0.728 nan 8.150 nan 0.000 0.497 901 H N 1.148 120.318 119.070 0.167 0.000 2.819 901 H HA -0.150 4.400 4.556 -0.009 0.000 0.323 901 H C 1.062 176.382 175.328 -0.014 0.000 1.243 901 H CA 0.956 57.083 56.048 0.131 0.000 1.163 901 H CB -2.037 27.759 29.762 0.057 0.000 1.493 901 H HN 0.973 nan 8.280 nan 0.000 0.434 902 S N -1.207 114.589 115.700 0.160 0.000 2.524 902 S HA -0.026 4.439 4.470 -0.009 0.000 0.215 902 S C 1.545 176.135 174.600 -0.017 0.000 0.986 902 S CA 0.321 58.599 58.200 0.130 0.000 0.911 902 S CB -0.245 63.216 63.200 0.434 0.000 0.805 902 S HN 0.789 nan 8.310 nan 0.000 0.501 903 H N 0.149 119.172 119.070 -0.079 0.000 2.541 903 H HA 0.086 4.637 4.556 -0.009 0.000 0.289 903 H C 1.794 176.960 175.328 -0.270 0.000 1.054 903 H CA 1.510 57.348 56.048 -0.350 0.000 1.250 903 H CB -0.543 28.773 29.762 -0.743 0.000 1.369 903 H HN 0.405 nan 8.280 nan 0.000 0.578 904 T N -0.831 113.377 114.554 -0.577 0.000 3.023 904 T HA 0.156 4.500 4.350 -0.009 0.000 0.249 904 T C 0.576 175.199 174.700 -0.129 0.000 1.050 904 T CA 0.132 62.044 62.100 -0.312 0.000 1.088 904 T CB -0.224 68.434 68.868 -0.351 0.000 0.946 904 T HN 0.374 nan 8.240 nan 0.000 0.480 905 S N 1.608 117.196 115.700 -0.187 0.000 2.499 905 S HA 0.499 4.964 4.470 -0.009 0.000 0.275 905 S C -0.980 173.497 174.600 -0.205 0.000 1.257 905 S CA -0.421 57.732 58.200 -0.077 0.000 1.050 905 S CB 0.214 63.393 63.200 -0.035 0.000 0.937 905 S HN 0.321 nan 8.310 nan 0.000 0.490 906 F N 1.718 121.660 119.950 -0.013 0.000 2.366 906 F HA 0.264 4.785 4.527 -0.009 0.000 0.366 906 F C 0.719 176.496 175.800 -0.038 0.000 1.096 906 F CA -0.562 57.419 58.000 -0.030 0.000 1.060 906 F CB 1.150 40.127 39.000 -0.038 0.000 1.282 906 F HN 0.365 nan 8.300 nan 0.000 0.450 907 T N 3.443 118.030 114.554 0.056 0.000 2.749 907 T HA 0.119 4.464 4.350 -0.009 0.000 0.295 907 T C 0.019 174.712 174.700 -0.012 0.000 0.936 907 T CA -0.580 61.529 62.100 0.014 0.000 1.060 907 T CB 0.514 69.370 68.868 -0.019 0.000 0.904 907 T HN 0.383 nan 8.240 nan 0.000 0.500 908 K N 4.658 125.060 120.400 0.004 0.000 2.349 908 K HA 0.335 4.650 4.320 -0.009 0.000 0.288 908 K C -0.735 175.846 176.600 -0.032 0.000 1.058 908 K CA -0.303 55.979 56.287 -0.009 0.000 0.953 908 K CB 0.124 32.631 32.500 0.011 0.000 0.997 908 K HN 0.519 nan 8.250 nan 0.000 0.477 909 L N 3.654 124.839 121.223 -0.064 0.000 2.334 909 L HA 0.380 4.715 4.340 -0.009 0.000 0.276 909 L C -0.159 176.753 176.870 0.071 0.000 1.014 909 L CA -1.235 53.572 54.840 -0.055 0.000 0.815 909 L CB 1.635 43.519 42.059 -0.292 0.000 1.268 909 L HN 0.662 nan 8.230 nan 0.000 0.428 910 D N 1.326 121.829 120.400 0.171 0.000 2.348 910 D HA 0.171 4.805 4.640 -0.009 0.000 0.249 910 D C -0.086 176.353 176.300 0.231 0.000 1.110 910 D CA -0.460 53.636 54.000 0.161 0.000 0.967 910 D CB 1.194 42.067 40.800 0.121 0.000 1.139 910 D HN 0.408 nan 8.370 nan 0.000 0.466 911 K N -0.508 119.984 120.400 0.153 0.000 2.440 911 K HA 0.396 4.711 4.320 -0.009 0.000 0.270 911 K C 0.384 177.050 176.600 0.111 0.000 0.980 911 K CA -0.315 56.063 56.287 0.152 0.000 0.953 911 K CB 0.373 32.928 32.500 0.091 0.000 0.925 911 K HN 0.533 nan 8.250 nan 0.000 0.497 912 G N 0.813 109.670 108.800 0.095 0.000 2.347 912 G HA2 -0.023 3.931 3.960 -0.009 0.000 0.477 912 G HA3 -0.023 3.931 3.960 -0.009 0.000 0.477 912 G C -1.749 173.114 174.900 -0.062 0.000 1.349 912 G CA -0.986 44.085 45.100 -0.048 0.000 1.000 912 G HN 0.621 nan 8.290 nan 0.000 0.605 913 E N 0.079 120.193 120.200 -0.145 0.000 2.174 913 E HA 0.532 4.877 4.350 -0.009 0.000 0.282 913 E C -0.898 175.602 176.600 -0.167 0.000 0.992 913 E CA -0.295 56.080 56.400 -0.042 0.000 0.803 913 E CB 1.341 31.047 29.700 0.009 0.000 1.090 913 E HN 0.401 nan 8.360 nan 0.000 0.396 914 Y N 0.482 120.837 120.300 0.091 0.000 2.568 914 Y HA 0.389 4.934 4.550 -0.008 0.000 0.327 914 Y C 0.593 176.587 175.900 0.157 0.000 1.163 914 Y CA -0.681 57.488 58.100 0.115 0.000 1.219 914 Y CB 1.764 40.277 38.460 0.088 0.000 1.308 914 Y HN 0.270 nan 8.280 nan 0.000 0.503 915 T N 2.428 117.224 114.554 0.404 0.000 2.893 915 T HA 0.683 5.028 4.350 -0.009 0.000 0.291 915 T C -0.909 174.036 174.700 0.408 0.000 1.028 915 T CA -0.651 61.678 62.100 0.381 0.000 0.995 915 T CB 1.159 70.285 68.868 0.430 0.000 1.051 915 T HN 0.336 nan 8.240 nan 0.000 0.470 916 I N 2.096 122.889 120.570 0.371 0.000 2.533 916 I HA 0.467 4.632 4.170 -0.009 0.000 0.290 916 I C -0.167 176.227 176.117 0.462 0.000 1.056 916 I CA -0.903 60.609 61.300 0.354 0.000 1.057 916 I CB 2.098 40.197 38.000 0.165 0.000 1.240 916 I HN 0.306 nan 8.210 nan 0.000 0.423 917 R N 5.766 126.562 120.500 0.493 0.000 2.514 917 R HA 0.629 4.963 4.340 -0.009 0.000 0.301 917 R C -1.303 175.312 176.300 0.525 0.000 0.962 917 R CA -0.921 55.492 56.100 0.521 0.000 0.882 917 R CB 2.635 33.311 30.300 0.627 0.000 1.143 917 R HN 0.396 nan 8.270 nan 0.000 0.452 918 L N 3.308 124.764 121.223 0.388 0.000 2.349 918 L HA 0.339 4.674 4.340 -0.009 0.000 0.278 918 L C -0.977 175.864 176.870 -0.049 0.000 0.996 918 L CA -0.298 54.681 54.840 0.231 0.000 0.825 918 L CB 1.871 44.094 42.059 0.272 0.000 1.243 918 L HN 0.695 nan 8.230 nan 0.000 0.412 919 Q N 4.461 124.076 119.800 -0.309 0.000 2.333 919 Q HA 0.500 4.834 4.340 -0.009 0.000 0.265 919 Q C -1.888 173.879 176.000 -0.388 0.000 0.989 919 Q CA -0.553 54.926 55.803 -0.541 0.000 0.842 919 Q CB 2.072 30.067 28.738 -1.238 0.000 1.262 919 Q HN 0.538 nan 8.270 nan 0.000 0.451 920 V N 5.215 124.938 119.914 -0.317 0.000 2.350 920 V HA 0.481 4.596 4.120 -0.009 0.000 0.285 920 V C -0.244 175.788 176.094 -0.103 0.000 1.014 920 V CA -0.713 61.401 62.300 -0.310 0.000 0.831 920 V CB 1.402 32.931 31.823 -0.489 0.000 1.000 920 V HN 0.741 nan 8.190 nan 0.000 0.433 921 R N 3.216 123.708 120.500 -0.014 0.000 2.486 921 R HA 0.725 5.059 4.340 -0.009 0.000 0.286 921 R C -0.473 175.999 176.300 0.286 0.000 0.999 921 R CA -0.585 55.570 56.100 0.091 0.000 0.993 921 R CB 1.215 31.528 30.300 0.022 0.000 1.084 921 R HN 0.784 nan 8.270 nan 0.000 0.487 922 H N 0.368 119.540 119.070 0.171 0.000 2.921 922 H HA -0.023 4.528 4.556 -0.009 0.000 0.287 922 H C -0.552 174.891 175.328 0.191 0.000 1.434 922 H CA -0.255 55.907 56.048 0.189 0.000 1.178 922 H CB 1.563 31.491 29.762 0.276 0.000 1.836 922 H HN 0.861 nan 8.280 nan 0.000 0.495 923 E N 0.853 121.186 120.200 0.222 0.000 2.415 923 E HA 0.107 4.452 4.350 -0.009 0.000 0.197 923 E C -0.409 176.407 176.600 0.359 0.000 1.007 923 E CA -0.082 56.487 56.400 0.282 0.000 0.890 923 E CB 0.549 30.312 29.700 0.105 0.000 0.891 923 E HN 0.004 nan 8.360 nan 0.000 0.496 924 K N 2.033 122.725 120.400 0.485 0.000 2.299 924 K HA 0.278 4.593 4.320 -0.009 0.000 0.268 924 K C 0.405 177.033 176.600 0.047 0.000 1.075 924 K CA -0.239 56.162 56.287 0.190 0.000 0.936 924 K CB 1.177 33.755 32.500 0.130 0.000 1.228 924 K HN 0.105 nan 8.250 nan 0.000 0.454 925 R N 0.951 121.385 120.500 -0.110 0.000 2.096 925 R HA -0.203 4.132 4.340 -0.009 0.000 0.240 925 R C 0.890 177.140 176.300 -0.084 0.000 1.139 925 R CA 2.318 58.303 56.100 -0.191 0.000 0.952 925 R CB -0.063 29.980 30.300 -0.428 0.000 0.854 925 R HN 0.587 nan 8.270 nan 0.000 0.436 926 D N 0.320 120.673 120.400 -0.077 0.000 2.384 926 D HA -0.146 4.489 4.640 -0.009 0.000 0.222 926 D C 1.511 177.798 176.300 -0.021 0.000 0.976 926 D CA 0.884 54.857 54.000 -0.045 0.000 0.915 926 D CB -0.220 40.556 40.800 -0.041 0.000 0.896 926 D HN 0.304 nan 8.370 nan 0.000 0.523 927 L N -0.873 120.332 121.223 -0.030 0.000 2.298 927 L HA 0.094 4.429 4.340 -0.009 0.000 0.209 927 L C 1.790 178.774 176.870 0.191 0.000 1.084 927 L CA 0.092 54.929 54.840 -0.004 0.000 0.816 927 L CB -0.183 41.720 42.059 -0.259 0.000 0.967 927 L HN 0.017 nan 8.230 nan 0.000 0.460 928 L N 0.092 121.408 121.223 0.155 0.000 2.201 928 L HA -0.143 4.192 4.340 -0.009 0.000 0.212 928 L C 2.369 179.272 176.870 0.055 0.000 1.105 928 L CA 1.470 56.394 54.840 0.139 0.000 0.775 928 L CB -0.561 41.554 42.059 0.093 0.000 0.913 928 L HN 0.204 nan 8.230 nan 0.000 0.440 929 E N -0.329 119.894 120.200 0.038 0.000 2.204 929 E HA -0.165 4.180 4.350 -0.009 0.000 0.194 929 E C 1.759 178.376 176.600 0.028 0.000 0.989 929 E CA 0.557 56.966 56.400 0.016 0.000 0.824 929 E CB 0.032 29.731 29.700 -0.001 0.000 0.756 929 E HN 0.378 nan 8.360 nan 0.000 0.477 930 K N 0.361 120.796 120.400 0.059 0.000 2.442 930 K HA -0.058 4.256 4.320 -0.009 0.000 0.198 930 K C 1.451 178.083 176.600 0.054 0.000 1.042 930 K CA 0.583 56.908 56.287 0.064 0.000 0.958 930 K CB 0.281 32.841 32.500 0.100 0.000 0.766 930 K HN 0.179 nan 8.250 nan 0.000 0.474 931 I N 0.652 121.245 120.570 0.038 0.000 3.860 931 I HA -0.005 4.159 4.170 -0.009 0.000 0.319 931 I C 1.481 177.617 176.117 0.031 0.000 1.279 931 I CA 0.578 61.883 61.300 0.007 0.000 1.220 931 I CB -0.552 37.395 38.000 -0.088 0.000 1.027 931 I HN -0.084 nan 8.210 nan 0.000 0.428 932 S N 0.797 116.507 115.700 0.015 0.000 2.440 932 S HA -0.146 4.319 4.470 -0.009 0.000 0.238 932 S C 1.548 176.152 174.600 0.006 0.000 1.010 932 S CA 1.122 59.324 58.200 0.004 0.000 0.972 932 S CB -0.159 63.036 63.200 -0.009 0.000 0.774 932 S HN 0.529 nan 8.310 nan 0.000 0.501 933 E N 0.706 120.918 120.200 0.020 0.000 2.481 933 E HA 0.291 4.636 4.350 -0.009 0.000 0.198 933 E C 0.364 177.003 176.600 0.064 0.000 1.027 933 E CA -0.291 56.124 56.400 0.024 0.000 0.900 933 E CB 0.300 30.009 29.700 0.015 0.000 0.993 933 E HN 0.391 nan 8.360 nan 0.000 0.482 934 A N 2.644 125.521 122.820 0.096 0.000 2.561 934 A HA 0.012 4.327 4.320 -0.009 0.000 0.251 934 A C 0.233 177.967 177.584 0.249 0.000 1.062 934 A CA -0.017 52.101 52.037 0.135 0.000 0.761 934 A CB -0.548 18.564 19.000 0.187 0.000 0.986 934 A HN 0.393 nan 8.150 nan 0.000 0.510 935 N N 1.851 120.650 118.700 0.166 0.000 2.447 935 N HA 0.692 5.427 4.740 -0.009 0.000 0.271 935 N C -0.507 174.987 175.510 -0.025 0.000 1.226 935 N CA -0.837 52.332 53.050 0.199 0.000 0.980 935 N CB 0.723 39.278 38.487 0.113 0.000 1.206 935 N HN 0.489 nan 8.380 nan 0.000 0.558 936 L N -0.535 120.568 121.223 -0.199 0.000 2.271 936 L HA 0.696 5.030 4.340 -0.009 0.000 0.265 936 L C -0.829 175.793 176.870 -0.413 0.000 1.013 936 L CA -1.400 53.151 54.840 -0.482 0.000 0.820 936 L CB 1.991 43.541 42.059 -0.849 0.000 1.352 936 L HN 0.380 nan 8.230 nan 0.000 0.443 937 V N 0.374 119.906 119.914 -0.636 0.000 2.709 937 V HA 0.687 4.802 4.120 -0.009 0.000 0.308 937 V C -0.539 175.248 176.094 -0.512 0.000 1.062 937 V CA -0.623 61.322 62.300 -0.593 0.000 0.901 937 V CB 1.789 33.108 31.823 -0.840 0.000 1.003 937 V HN 0.784 nan 8.190 nan 0.000 0.425 938 A N 2.587 125.239 122.820 -0.280 0.000 2.285 938 A HA 0.719 5.034 4.320 -0.009 0.000 0.310 938 A C -0.111 177.457 177.584 -0.026 0.000 1.266 938 A CA -0.390 51.531 52.037 -0.194 0.000 0.832 938 A CB 1.351 20.276 19.000 -0.126 0.000 1.163 938 A HN 0.764 nan 8.150 nan 0.000 0.499 939 S N 3.001 118.692 115.700 -0.014 0.000 2.404 939 S HA 0.562 5.027 4.470 -0.009 0.000 0.309 939 S C -0.743 173.974 174.600 0.195 0.000 1.076 939 S CA -0.348 57.943 58.200 0.153 0.000 1.095 939 S CB -0.596 62.753 63.200 0.248 0.000 0.972 939 S HN 0.396 nan 8.310 nan 0.000 0.484 940 F N 4.434 124.423 119.950 0.065 0.000 2.444 940 F HA 0.306 4.827 4.527 -0.009 0.000 0.360 940 F C 1.147 176.993 175.800 0.075 0.000 1.106 940 F CA -0.614 57.430 58.000 0.073 0.000 1.170 940 F CB 0.758 39.758 39.000 0.001 0.000 1.113 940 F HN 0.293 nan 8.300 nan 0.000 0.521 941 K N 5.208 125.713 120.400 0.176 0.000 2.412 941 K HA 0.171 4.485 4.320 -0.009 0.000 0.284 941 K C -0.389 176.241 176.600 0.050 0.000 1.046 941 K CA -0.095 56.201 56.287 0.015 0.000 0.999 941 K CB 0.483 32.869 32.500 -0.190 0.000 0.941 941 K HN 0.548 nan 8.250 nan 0.000 0.474 942 L N 3.383 124.626 121.223 0.033 0.000 2.367 942 L HA 0.025 4.360 4.340 -0.009 0.000 0.275 942 L C 1.692 178.559 176.870 -0.005 0.000 1.129 942 L CA -0.294 54.559 54.840 0.022 0.000 0.839 942 L CB 0.900 42.964 42.059 0.008 0.000 1.133 942 L HN 0.752 nan 8.230 nan 0.000 0.453 943 T N 0.456 115.010 114.554 0.000 0.000 2.684 943 T HA -0.129 4.215 4.350 -0.009 0.000 0.267 943 T C 0.924 175.613 174.700 -0.019 0.000 1.036 943 T CA 1.707 63.801 62.100 -0.010 0.000 1.148 943 T CB -0.096 68.771 68.868 -0.003 0.000 0.863 943 T HN 0.731 nan 8.240 nan 0.000 0.436 944 S N 2.052 117.741 115.700 -0.018 0.000 2.474 944 S HA 0.488 4.953 4.470 -0.009 0.000 0.320 944 S C -3.095 171.487 174.600 -0.030 0.000 1.067 944 S CA -1.764 56.422 58.200 -0.024 0.000 1.127 944 S CB 1.118 64.304 63.200 -0.024 0.000 0.971 944 S HN 0.006 nan 8.310 nan 0.000 0.472 945 P HA 0.138 nan 4.420 nan 0.000 0.265 945 P C -0.580 176.691 177.300 -0.048 0.000 1.222 945 P CA -0.150 62.928 63.100 -0.036 0.000 0.767 945 P CB 0.252 31.932 31.700 -0.034 0.000 0.801 946 L N 3.608 124.793 121.223 -0.063 0.000 2.477 946 L HA 0.116 4.451 4.340 -0.009 0.000 0.272 946 L C 0.652 177.461 176.870 -0.102 0.000 1.157 946 L CA 0.458 55.245 54.840 -0.089 0.000 0.889 946 L CB -0.125 41.860 42.059 -0.124 0.000 1.158 946 L HN 0.327 nan 8.230 nan 0.000 0.473 947 T N 4.570 119.069 114.554 -0.092 0.000 2.749 947 T HA 0.515 4.859 4.350 -0.009 0.000 0.287 947 T C -0.168 174.457 174.700 -0.125 0.000 0.970 947 T CA -0.624 61.421 62.100 -0.092 0.000 0.980 947 T CB 1.140 69.974 68.868 -0.056 0.000 0.924 947 T HN 0.093 nan 8.240 nan 0.000 0.456 948 L N 3.932 125.045 121.223 -0.183 0.000 2.307 948 L HA 0.400 4.734 4.340 -0.009 0.000 0.282 948 L C 0.522 177.199 176.870 -0.322 0.000 1.051 948 L CA -0.305 54.369 54.840 -0.277 0.000 0.804 948 L CB 0.875 42.689 42.059 -0.408 0.000 1.197 948 L HN 0.605 nan 8.230 nan 0.000 0.431 949 D N 2.074 122.296 120.400 -0.297 0.000 2.294 949 D HA 0.419 5.054 4.640 -0.009 0.000 0.250 949 D C -0.669 175.322 176.300 -0.515 0.000 1.058 949 D CA -0.033 53.800 54.000 -0.280 0.000 0.950 949 D CB 1.378 42.024 40.800 -0.256 0.000 1.158 949 D HN 0.126 nan 8.370 nan 0.000 0.453 950 F N -0.014 119.742 119.950 -0.323 0.000 2.556 950 F HA 0.449 4.971 4.527 -0.009 0.000 0.327 950 F C -0.365 175.195 175.800 -0.400 0.000 1.059 950 F CA -0.880 56.984 58.000 -0.228 0.000 0.953 950 F CB 1.342 40.267 39.000 -0.124 0.000 1.227 950 F HN 0.185 nan 8.300 nan 0.000 0.478 951 Y N -0.271 120.233 120.300 0.340 0.000 2.524 951 Y HA 0.274 4.819 4.550 -0.009 0.000 0.347 951 Y C 0.641 176.774 175.900 0.388 0.000 1.005 951 Y CA -0.988 57.309 58.100 0.328 0.000 1.025 951 Y CB 1.985 40.580 38.460 0.224 0.000 1.275 951 Y HN 0.655 nan 8.280 nan 0.000 0.460 952 E N 0.625 121.149 120.200 0.540 0.000 2.307 952 E HA 0.101 4.446 4.350 -0.009 0.000 0.195 952 E C -0.568 176.318 176.600 0.476 0.000 0.975 952 E CA 0.359 57.034 56.400 0.459 0.000 0.878 952 E CB 0.384 30.355 29.700 0.451 0.000 0.845 952 E HN 0.527 nan 8.360 nan 0.000 0.488 953 N N 0.371 119.306 118.700 0.390 0.000 2.417 953 N HA 0.044 4.779 4.740 -0.009 0.000 0.274 953 N C -0.354 175.181 175.510 0.042 0.000 0.987 953 N CA -0.306 52.890 53.050 0.242 0.000 0.912 953 N CB 1.090 39.670 38.487 0.154 0.000 1.177 953 N HN 0.094 nan 8.380 nan 0.000 0.490 954 Y N 3.666 123.743 120.300 -0.372 0.000 2.053 954 Y HA -0.296 4.248 4.550 -0.009 0.000 0.277 954 Y C 1.504 177.187 175.900 -0.363 0.000 1.159 954 Y CA 2.020 59.667 58.100 -0.754 0.000 1.125 954 Y CB 0.009 38.004 38.460 -0.775 0.000 0.969 954 Y HN 0.482 nan 8.280 nan 0.000 0.492 955 N N 0.203 118.860 118.700 -0.071 0.000 2.205 955 N HA -0.213 4.522 4.740 -0.009 0.000 0.186 955 N C 1.733 177.128 175.510 -0.193 0.000 1.015 955 N CA 1.553 54.542 53.050 -0.101 0.000 0.862 955 N CB -0.508 37.986 38.487 0.011 0.000 0.986 955 N HN 0.482 nan 8.380 nan 0.000 0.429 956 Q N 0.277 119.981 119.800 -0.160 0.000 2.297 956 Q HA 0.019 4.354 4.340 -0.009 0.000 0.204 956 Q C 2.171 177.904 176.000 -0.444 0.000 0.962 956 Q CA 0.667 56.373 55.803 -0.161 0.000 0.879 956 Q CB -0.411 28.331 28.738 0.007 0.000 0.947 956 Q HN 0.434 nan 8.270 nan 0.000 0.462 957 C N -0.975 117.956 119.300 -0.615 0.000 2.500 957 C HA 0.109 4.564 4.460 -0.009 0.000 0.279 957 C C 2.398 176.938 174.990 -0.750 0.000 1.288 957 C CA 0.380 58.765 59.018 -1.054 0.000 1.710 957 C CB -1.063 26.302 27.740 -0.624 0.000 2.052 957 C HN 0.722 nan 8.230 nan 0.000 0.488 958 I N 0.481 120.675 120.570 -0.627 0.000 2.423 958 I HA -0.110 4.055 4.170 -0.009 0.000 0.254 958 I C 2.121 178.066 176.117 -0.286 0.000 1.151 958 I CA 1.758 62.793 61.300 -0.442 0.000 1.421 958 I CB -0.048 37.702 38.000 -0.418 0.000 1.079 958 I HN 0.344 nan 8.210 nan 0.000 0.431 959 V N 0.665 120.408 119.914 -0.285 0.000 3.644 959 V HA 0.330 4.444 4.120 -0.009 0.000 0.267 959 V C 1.174 177.164 176.094 -0.174 0.000 1.277 959 V CA 0.828 63.020 62.300 -0.179 0.000 1.096 959 V CB -0.365 31.382 31.823 -0.126 0.000 0.828 959 V HN 0.649 nan 8.190 nan 0.000 0.446 960 G N 0.454 109.067 108.800 -0.313 0.000 2.298 960 G HA2 -0.167 3.788 3.960 -0.009 0.000 0.287 960 G HA3 -0.167 3.788 3.960 -0.009 0.000 0.287 960 G C 0.495 175.397 174.900 0.003 0.000 1.075 960 G CA 0.558 45.533 45.100 -0.209 0.000 0.960 960 G HN 1.046 nan 8.290 nan 0.000 0.502 961 G N -0.421 108.370 108.800 -0.014 0.000 3.329 961 G HA2 0.520 4.474 3.960 -0.009 0.000 0.180 961 G HA3 0.520 4.474 3.960 -0.009 0.000 0.180 961 G C 0.551 175.578 174.900 0.212 0.000 1.640 961 G CA -0.612 44.537 45.100 0.082 0.000 1.018 961 G HN 0.612 nan 8.290 nan 0.000 0.581 962 R N 0.857 121.454 120.500 0.161 0.000 2.486 962 R HA 0.110 4.445 4.340 -0.009 0.000 0.304 962 R C -0.159 176.329 176.300 0.314 0.000 0.913 962 R CA 0.399 56.607 56.100 0.179 0.000 1.124 962 R CB 0.219 30.597 30.300 0.129 0.000 0.891 962 R HN 0.182 nan 8.270 nan 0.000 0.410 963 K N 2.237 122.748 120.400 0.186 0.000 2.117 963 K HA 0.101 4.416 4.320 -0.009 0.000 0.240 963 K C -0.610 176.054 176.600 0.106 0.000 1.031 963 K CA -0.508 55.801 56.287 0.037 0.000 0.909 963 K CB 0.210 32.648 32.500 -0.105 0.000 1.097 963 K HN 0.356 nan 8.250 nan 0.000 0.492 964 Y N 0.469 120.756 120.300 -0.022 0.000 2.511 964 Y HA 0.225 4.770 4.550 -0.009 0.000 0.332 964 Y C -0.667 175.242 175.900 0.016 0.000 1.177 964 Y CA -0.284 57.843 58.100 0.045 0.000 1.422 964 Y CB 0.464 38.963 38.460 0.066 0.000 1.271 964 Y HN 0.129 nan 8.280 nan 0.000 0.550 965 V N 6.309 125.752 119.914 -0.785 0.000 2.370 965 V HA 0.239 4.354 4.120 -0.009 0.000 0.283 965 V C -0.098 175.407 176.094 -0.982 0.000 1.023 965 V CA -1.111 60.798 62.300 -0.651 0.000 0.857 965 V CB 0.972 32.615 31.823 -0.300 0.000 0.985 965 V HN 0.937 nan 8.190 nan 0.000 0.443 966 S N 3.969 119.302 115.700 -0.611 0.000 2.561 966 S HA 0.335 4.800 4.470 -0.009 0.000 0.294 966 S C 0.387 174.870 174.600 -0.195 0.000 1.294 966 S CA 0.158 58.167 58.200 -0.319 0.000 1.055 966 S CB 0.312 63.444 63.200 -0.113 0.000 0.819 966 S HN 1.256 nan 8.310 nan 0.000 0.503 967 S N 1.141 116.819 115.700 -0.037 0.000 2.578 967 S HA 0.575 5.040 4.470 -0.009 0.000 0.272 967 S C -3.616 171.022 174.600 0.063 0.000 1.145 967 S CA -1.530 56.673 58.200 0.005 0.000 0.835 967 S CB 0.888 64.085 63.200 -0.005 0.000 1.104 967 S HN 0.336 nan 8.310 nan 0.000 0.458 968 P HA 0.507 nan 4.420 nan 0.000 0.272 968 P C -1.200 176.134 177.300 0.058 0.000 1.223 968 P CA -0.431 62.701 63.100 0.053 0.000 0.784 968 P CB 0.368 32.090 31.700 0.036 0.000 0.923 969 L N 2.296 123.551 121.223 0.053 0.000 2.446 969 L HA 0.476 4.811 4.340 -0.009 0.000 0.268 969 L C 0.242 177.125 176.870 0.022 0.000 0.975 969 L CA -0.429 54.435 54.840 0.040 0.000 0.848 969 L CB 1.150 43.232 42.059 0.040 0.000 1.225 969 L HN 0.209 nan 8.230 nan 0.000 0.410 970 R N 3.017 123.525 120.500 0.013 0.000 1.832 970 R HA 0.533 4.868 4.340 -0.009 0.000 0.134 970 R C 0.011 176.304 176.300 -0.011 0.000 0.929 970 R CA -0.026 56.076 56.100 0.003 0.000 1.715 970 R CB 0.154 30.456 30.300 0.004 0.000 1.392 970 R HN 0.727 nan 8.270 nan 0.000 0.655 971 L N 0.532 121.746 121.223 -0.015 0.000 2.416 971 L HA 0.386 4.721 4.340 -0.009 0.000 0.243 971 L C -0.799 176.053 176.870 -0.030 0.000 1.373 971 L CA -0.084 54.740 54.840 -0.027 0.000 1.227 971 L CB 0.333 42.378 42.059 -0.024 0.000 1.428 971 L HN 0.206 nan 8.230 nan 0.000 0.425 972 S N -0.263 115.415 115.700 -0.035 0.000 2.688 972 S HA 0.626 5.091 4.470 -0.009 0.000 0.275 972 S C -0.382 174.185 174.600 -0.054 0.000 1.175 972 S CA -0.666 57.512 58.200 -0.036 0.000 0.818 972 S CB 2.223 65.415 63.200 -0.014 0.000 1.157 972 S HN 0.478 nan 8.310 nan 0.000 0.482 973 T N 1.992 116.516 114.554 -0.051 0.000 2.779 973 T HA 0.517 4.861 4.350 -0.009 0.000 0.280 973 T C -0.489 174.185 174.700 -0.043 0.000 0.987 973 T CA -0.430 61.630 62.100 -0.067 0.000 0.966 973 T CB 0.873 69.697 68.868 -0.073 0.000 0.933 973 T HN 0.437 nan 8.240 nan 0.000 0.442 974 R N 2.692 123.160 120.500 -0.054 0.000 2.387 974 R HA 0.630 4.965 4.340 -0.009 0.000 0.314 974 R C -1.392 174.856 176.300 -0.086 0.000 0.958 974 R CA -0.542 55.534 56.100 -0.039 0.000 0.846 974 R CB 0.880 31.168 30.300 -0.020 0.000 1.147 974 R HN 0.426 nan 8.270 nan 0.000 0.447 975 V N 6.752 126.612 119.914 -0.090 0.000 2.347 975 V HA 0.360 4.474 4.120 -0.009 0.000 0.280 975 V C 0.051 175.940 176.094 -0.342 0.000 1.021 975 V CA -0.603 61.568 62.300 -0.215 0.000 0.847 975 V CB 1.232 32.939 31.823 -0.194 0.000 0.990 975 V HN 0.664 nan 8.190 nan 0.000 0.444 976 L N 4.832 125.828 121.223 -0.378 0.000 2.332 976 L HA 0.693 5.028 4.340 -0.009 0.000 0.269 976 L C -1.142 175.478 176.870 -0.415 0.000 1.016 976 L CA -0.853 53.822 54.840 -0.276 0.000 0.809 976 L CB 1.880 43.879 42.059 -0.100 0.000 1.280 976 L HN 0.498 nan 8.230 nan 0.000 0.447 977 Y N 0.724 121.170 120.300 0.242 0.000 2.477 977 Y HA 0.596 5.141 4.550 -0.007 0.000 0.347 977 Y C -0.364 175.666 175.900 0.217 0.000 0.981 977 Y CA -0.679 57.562 58.100 0.235 0.000 1.033 977 Y CB 2.011 40.601 38.460 0.216 0.000 1.245 977 Y HN 0.236 nan 8.280 nan 0.000 0.455 978 I N 2.583 123.339 120.570 0.311 0.000 2.410 978 I HA 0.632 4.797 4.170 -0.009 0.000 0.286 978 I C -0.367 175.871 176.117 0.201 0.000 1.009 978 I CA -0.984 60.404 61.300 0.146 0.000 1.111 978 I CB 1.624 39.593 38.000 -0.052 0.000 1.262 978 I HN 0.722 nan 8.210 nan 0.000 0.443 979 A N 7.477 130.396 122.820 0.165 0.000 2.354 979 A HA 0.696 5.010 4.320 -0.009 0.000 0.269 979 A C -2.328 175.335 177.584 0.131 0.000 1.109 979 A CA -1.295 50.803 52.037 0.102 0.000 0.800 979 A CB -0.222 18.779 19.000 0.002 0.000 1.045 979 A HN 0.457 nan 8.150 nan 0.000 0.489 980 P HA 0.030 nan 4.420 nan 0.000 0.266 980 P C -0.424 176.973 177.300 0.162 0.000 1.186 980 P CA 0.389 63.623 63.100 0.223 0.000 0.767 980 P CB 0.199 32.002 31.700 0.171 0.000 0.820 981 I N 1.466 122.147 120.570 0.184 0.000 2.556 981 I HA 0.022 4.187 4.170 -0.009 0.000 0.284 981 I C 1.441 177.588 176.117 0.050 0.000 1.114 981 I CA -0.190 61.127 61.300 0.029 0.000 1.418 981 I CB 0.373 38.290 38.000 -0.137 0.000 1.394 981 I HN 0.422 nan 8.210 nan 0.000 0.552 982 T N 2.254 116.820 114.554 0.019 0.000 2.903 982 T HA -0.029 4.316 4.350 -0.009 0.000 0.314 982 T C 0.739 175.449 174.700 0.017 0.000 1.078 982 T CA -0.404 61.708 62.100 0.020 0.000 1.114 982 T CB 1.389 70.262 68.868 0.009 0.000 0.987 982 T HN 0.644 nan 8.240 nan 0.000 0.548 983 Q N 0.924 120.736 119.800 0.021 0.000 2.084 983 Q HA -0.129 4.206 4.340 -0.009 0.000 0.202 983 Q C 2.182 178.185 176.000 0.005 0.000 0.978 983 Q CA 2.376 58.190 55.803 0.018 0.000 0.844 983 Q CB -0.467 28.283 28.738 0.020 0.000 0.898 983 Q HN 0.968 nan 8.270 nan 0.000 0.426 984 E N -0.255 119.946 120.200 0.002 0.000 2.058 984 E HA -0.243 4.102 4.350 -0.009 0.000 0.194 984 E C 2.002 178.595 176.600 -0.011 0.000 0.997 984 E CA 1.118 57.516 56.400 -0.004 0.000 0.801 984 E CB -0.191 29.507 29.700 -0.003 0.000 0.746 984 E HN 0.305 nan 8.360 nan 0.000 0.450 985 R N -0.057 120.434 120.500 -0.016 0.000 2.285 985 R HA -0.043 4.292 4.340 -0.009 0.000 0.213 985 R C 2.141 178.420 176.300 -0.036 0.000 1.068 985 R CA 0.521 56.604 56.100 -0.028 0.000 1.004 985 R CB 0.041 30.320 30.300 -0.036 0.000 0.873 985 R HN 0.301 nan 8.270 nan 0.000 0.467 986 L N -0.756 120.450 121.223 -0.028 0.000 2.168 986 L HA -0.056 4.279 4.340 -0.009 0.000 0.203 986 L C 2.428 179.282 176.870 -0.028 0.000 1.078 986 L CA 1.497 56.319 54.840 -0.030 0.000 0.780 986 L CB -0.390 41.662 42.059 -0.012 0.000 0.939 986 L HN 0.356 nan 8.230 nan 0.000 0.451 987 T N -3.323 111.219 114.554 -0.020 0.000 2.995 987 T HA -0.141 4.204 4.350 -0.009 0.000 0.269 987 T C 1.696 176.383 174.700 -0.022 0.000 1.091 987 T CA 0.720 62.808 62.100 -0.020 0.000 1.128 987 T CB -0.114 68.746 68.868 -0.013 0.000 0.891 987 T HN 0.173 nan 8.240 nan 0.000 0.492 988 K N 0.813 121.201 120.400 -0.021 0.000 2.459 988 K HA 0.371 4.686 4.320 -0.009 0.000 0.193 988 K C 2.139 178.724 176.600 -0.025 0.000 1.030 988 K CA 0.517 56.792 56.287 -0.020 0.000 1.026 988 K CB -0.020 32.469 32.500 -0.018 0.000 0.809 988 K HN 0.458 nan 8.250 nan 0.000 0.504 989 A N 1.301 124.103 122.820 -0.031 0.000 2.251 989 A HA -0.008 4.307 4.320 -0.009 0.000 0.209 989 A C -0.018 177.545 177.584 -0.035 0.000 1.187 989 A CA -0.082 51.934 52.037 -0.035 0.000 0.823 989 A CB -0.103 18.869 19.000 -0.046 0.000 0.846 989 A HN 0.337 nan 8.150 nan 0.000 0.486 990 N N 0.103 118.782 118.700 -0.035 0.000 2.688 990 N HA -0.141 4.594 4.740 -0.009 0.000 0.258 990 N C -0.393 175.077 175.510 -0.066 0.000 1.016 990 N CA 0.745 53.771 53.050 -0.040 0.000 0.747 990 N CB -1.291 37.182 38.487 -0.024 0.000 0.895 990 N HN 0.557 nan 8.380 nan 0.000 0.543 991 L N 0.277 121.451 121.223 -0.083 0.000 2.473 991 L HA 0.251 4.586 4.340 -0.009 0.000 0.268 991 L C -1.051 175.695 176.870 -0.205 0.000 1.215 991 L CA -1.194 53.567 54.840 -0.131 0.000 0.823 991 L CB -0.165 41.831 42.059 -0.106 0.000 1.099 991 L HN 0.046 nan 8.230 nan 0.000 0.483 992 P HA 0.265 nan 4.420 nan 0.000 0.275 992 P C -1.344 175.768 177.300 -0.312 0.000 1.266 992 P CA -0.483 62.301 63.100 -0.527 0.000 0.793 992 P CB 0.616 31.633 31.700 -1.138 0.000 1.074 993 A N 0.644 123.307 122.820 -0.260 0.000 2.319 993 A HA 0.452 4.767 4.320 -0.009 0.000 0.310 993 A C -0.784 176.732 177.584 -0.113 0.000 1.152 993 A CA -0.551 51.401 52.037 -0.142 0.000 0.783 993 A CB 0.713 19.664 19.000 -0.081 0.000 1.184 993 A HN 0.533 nan 8.150 nan 0.000 0.474 994 Q N 2.167 121.914 119.800 -0.087 0.000 2.394 994 Q HA 0.382 4.717 4.340 -0.009 0.000 0.259 994 Q C -0.312 175.624 176.000 -0.106 0.000 1.021 994 Q CA -0.522 55.231 55.803 -0.084 0.000 0.805 994 Q CB 1.179 29.894 28.738 -0.038 0.000 1.226 994 Q HN 0.618 nan 8.270 nan 0.000 0.476 995 C N 2.186 121.400 119.300 -0.143 0.000 2.550 995 C HA 0.214 4.668 4.460 -0.009 0.000 0.406 995 C C 1.501 176.431 174.990 -0.101 0.000 1.366 995 C CA 0.779 59.698 59.018 -0.165 0.000 1.712 995 C CB -0.348 27.302 27.740 -0.150 0.000 2.613 995 C HN 1.012 nan 8.230 nan 0.000 0.608 996 A N 4.359 127.089 122.820 -0.150 0.000 1.944 996 A HA 0.483 4.798 4.320 -0.009 0.000 0.207 996 A C 0.051 177.758 177.584 0.205 0.000 1.265 996 A CA 0.839 52.891 52.037 0.025 0.000 0.712 996 A CB -0.104 18.940 19.000 0.074 0.000 0.915 996 A HN 1.213 nan 8.150 nan 0.000 0.470 997 W N -1.755 119.568 121.300 0.037 0.000 3.074 997 W HA 0.689 5.344 4.660 -0.007 0.000 0.332 997 W C -1.783 174.803 176.519 0.112 0.000 1.253 997 W CA -1.054 56.333 57.345 0.070 0.000 1.180 997 W CB 0.319 29.807 29.460 0.048 0.000 1.445 997 W HN 0.034 nan 8.180 nan 0.000 0.573 998 L N 3.366 124.835 121.223 0.409 0.000 2.331 998 L HA 0.797 5.132 4.340 -0.009 0.000 0.275 998 L C 0.261 177.419 176.870 0.481 0.000 1.022 998 L CA -1.067 53.948 54.840 0.293 0.000 0.812 998 L CB 1.715 43.882 42.059 0.179 0.000 1.257 998 L HN 0.643 nan 8.230 nan 0.000 0.435 999 S N 0.232 116.156 115.700 0.373 0.000 2.548 999 S HA 0.980 5.445 4.470 -0.009 0.000 0.286 999 S C -0.442 174.319 174.600 0.267 0.000 1.098 999 S CA -0.358 58.076 58.200 0.389 0.000 0.930 999 S CB 2.486 65.953 63.200 0.446 0.000 1.070 999 S HN 0.955 nan 8.310 nan 0.000 0.480 1000 G N 1.059 110.023 108.800 0.273 0.000 2.570 1000 G HA2 0.511 4.466 3.960 -0.009 0.000 0.310 1000 G HA3 0.511 4.466 3.960 -0.009 0.000 0.310 1000 G C -2.157 172.861 174.900 0.197 0.000 1.266 1000 G CA -0.827 44.382 45.100 0.182 0.000 0.825 1000 G HN 0.655 nan 8.290 nan 0.000 0.483 1001 N N 0.019 118.792 118.700 0.121 0.000 2.354 1001 N HA 0.490 5.224 4.740 -0.009 0.000 0.287 1001 N C -1.432 174.118 175.510 0.066 0.000 1.016 1001 N CA -0.432 52.690 53.050 0.120 0.000 0.871 1001 N CB 2.504 41.032 38.487 0.069 0.000 1.299 1001 N HN 0.403 nan 8.380 nan 0.000 0.482 1002 L N 2.975 124.270 121.223 0.119 0.000 2.275 1002 L HA 0.489 4.824 4.340 -0.009 0.000 0.288 1002 L C -0.879 175.912 176.870 -0.131 0.000 1.046 1002 L CA -0.461 54.356 54.840 -0.038 0.000 0.805 1002 L CB 1.078 43.159 42.059 0.035 0.000 1.193 1002 L HN 0.225 nan 8.230 nan 0.000 0.426 1003 V N 5.855 125.609 119.914 -0.267 0.000 2.628 1003 V HA 0.413 4.528 4.120 -0.009 0.000 0.306 1003 V C 0.116 175.951 176.094 -0.433 0.000 1.045 1003 V CA -0.247 61.912 62.300 -0.236 0.000 0.905 1003 V CB 1.460 33.202 31.823 -0.136 0.000 0.997 1003 V HN 0.752 nan 8.190 nan 0.000 0.436 1004 F N 1.551 121.484 119.950 -0.029 0.000 2.479 1004 F HA 0.319 4.844 4.527 -0.003 0.000 0.280 1004 F C -1.707 174.051 175.800 -0.071 0.000 0.982 1004 F CA -0.208 57.751 58.000 -0.068 0.000 1.276 1004 F CB -0.722 38.276 39.000 -0.002 0.000 1.137 1004 F HN 0.380 nan 8.300 nan 0.000 0.660 1005 P HA 0.043 nan 4.420 nan 0.000 0.272 1005 P C 0.323 177.611 177.300 -0.021 0.000 1.223 1005 P CA 0.281 63.410 63.100 0.049 0.000 0.784 1005 P CB 0.717 32.337 31.700 -0.133 0.000 0.923 1006 Q N 1.051 120.863 119.800 0.021 0.000 2.163 1006 Q HA -0.101 4.233 4.340 -0.009 0.000 0.198 1006 Q C 0.227 176.215 176.000 -0.021 0.000 0.954 1006 Q CA 0.460 56.263 55.803 -0.000 0.000 0.851 1006 Q CB -0.224 28.529 28.738 0.026 0.000 0.928 1006 Q HN 0.461 nan 8.270 nan 0.000 0.459 1007 D N 1.190 121.592 120.400 0.004 0.000 2.661 1007 D HA -0.142 4.492 4.640 -0.009 0.000 0.244 1007 D C 0.637 176.890 176.300 -0.078 0.000 1.196 1007 D CA 0.353 54.353 54.000 0.001 0.000 0.881 1007 D CB 0.858 41.715 40.800 0.095 0.000 1.141 1007 D HN 0.164 nan 8.370 nan 0.000 0.530 1008 E N 2.871 123.040 120.200 -0.051 0.000 2.118 1008 E HA -0.172 4.173 4.350 -0.009 0.000 0.195 1008 E C 1.915 178.457 176.600 -0.097 0.000 0.992 1008 E CA 1.596 57.955 56.400 -0.070 0.000 0.804 1008 E CB -0.119 29.556 29.700 -0.041 0.000 0.741 1008 E HN 0.505 nan 8.360 nan 0.000 0.458 1009 V N -2.299 117.568 119.914 -0.078 0.000 2.548 1009 V HA 0.036 4.150 4.120 -0.009 0.000 0.249 1009 V C 2.179 178.146 176.094 -0.212 0.000 1.055 1009 V CA 1.831 64.081 62.300 -0.084 0.000 1.065 1009 V CB -1.141 30.677 31.823 -0.008 0.000 0.681 1009 V HN 0.235 nan 8.190 nan 0.000 0.462 1010 G N -0.259 108.316 108.800 -0.374 0.000 2.509 1010 G HA2 -0.114 3.840 3.960 -0.009 0.000 0.218 1010 G HA3 -0.114 3.840 3.960 -0.009 0.000 0.218 1010 G C 1.754 176.221 174.900 -0.722 0.000 1.124 1010 G CA 0.556 45.050 45.100 -1.010 0.000 0.776 1010 G HN 0.520 nan 8.290 nan 0.000 0.547 1011 R N 0.034 120.304 120.500 -0.384 0.000 2.100 1011 R HA 0.050 4.385 4.340 -0.009 0.000 0.220 1011 R C 2.573 178.767 176.300 -0.176 0.000 1.091 1011 R CA 0.604 56.557 56.100 -0.245 0.000 0.986 1011 R CB -0.130 30.073 30.300 -0.162 0.000 0.888 1011 R HN 0.308 nan 8.270 nan 0.000 0.444 1012 R N 0.206 120.613 120.500 -0.155 0.000 2.280 1012 R HA -0.008 4.327 4.340 -0.009 0.000 0.207 1012 R C 1.601 177.848 176.300 -0.089 0.000 1.043 1012 R CA 0.816 56.858 56.100 -0.098 0.000 1.006 1012 R CB 0.125 30.381 30.300 -0.072 0.000 0.885 1012 R HN 0.094 nan 8.270 nan 0.000 0.467 1013 V N -0.716 119.118 119.914 -0.134 0.000 3.090 1013 V HA 0.238 4.353 4.120 -0.009 0.000 0.237 1013 V C 1.169 177.211 176.094 -0.088 0.000 1.209 1013 V CA 0.461 62.712 62.300 -0.083 0.000 1.209 1013 V CB 0.267 32.062 31.823 -0.048 0.000 0.971 1013 V HN 0.157 nan 8.190 nan 0.000 0.477 1014 A N 1.472 124.188 122.820 -0.172 0.000 3.077 1014 A HA 0.315 4.630 4.320 -0.009 0.000 0.255 1014 A C 0.367 177.924 177.584 -0.046 0.000 1.728 1014 A CA -0.020 51.962 52.037 -0.092 0.000 1.383 1014 A CB -0.876 18.042 19.000 -0.136 0.000 1.097 1014 A HN 0.598 nan 8.150 nan 0.000 0.634 1015 Q N 1.197 120.945 119.800 -0.087 0.000 2.241 1015 Q HA 0.303 4.637 4.340 -0.009 0.000 0.254 1015 Q C -0.889 175.031 176.000 -0.133 0.000 0.917 1015 Q CA -0.259 55.522 55.803 -0.037 0.000 0.919 1015 Q CB 1.391 30.116 28.738 -0.022 0.000 1.237 1015 Q HN 0.679 nan 8.270 nan 0.000 0.434 1016 H N 2.710 121.804 119.070 0.039 0.000 2.511 1016 H HA 0.258 4.807 4.556 -0.011 0.000 0.328 1016 H C -2.306 173.065 175.328 0.072 0.000 1.044 1016 H CA -2.138 53.912 56.048 0.003 0.000 1.212 1016 H CB 1.340 31.114 29.762 0.020 0.000 1.428 1016 H HN 0.306 nan 8.280 nan 0.000 0.483 1017 P HA -0.062 nan 4.420 nan 0.000 0.262 1017 P C -0.673 176.772 177.300 0.242 0.000 1.199 1017 P CA 0.595 63.779 63.100 0.140 0.000 0.763 1017 P CB -0.070 31.661 31.700 0.051 0.000 0.790 1018 F N 3.114 123.152 119.950 0.146 0.000 2.522 1018 F HA 0.647 5.168 4.527 -0.010 0.000 0.324 1018 F C -0.097 175.788 175.800 0.141 0.000 1.077 1018 F CA -0.235 57.867 58.000 0.169 0.000 0.944 1018 F CB 1.970 41.065 39.000 0.158 0.000 1.175 1018 F HN 0.141 nan 8.300 nan 0.000 0.468 1019 T N 4.323 118.694 114.554 -0.306 0.000 2.971 1019 T HA 0.346 4.691 4.350 -0.009 0.000 0.304 1019 T C -2.167 172.491 174.700 -0.069 0.000 1.038 1019 T CA -0.338 61.731 62.100 -0.051 0.000 1.007 1019 T CB 0.624 69.366 68.868 -0.210 0.000 1.055 1019 T HN 0.590 nan 8.240 nan 0.000 0.451 1020 Y N 6.574 126.958 120.300 0.140 0.000 2.464 1020 Y HA 0.585 5.129 4.550 -0.009 0.000 0.326 1020 Y C -0.337 175.638 175.900 0.126 0.000 0.969 1020 Y CA -1.387 56.797 58.100 0.141 0.000 1.270 1020 Y CB 0.493 39.095 38.460 0.237 0.000 1.103 1020 Y HN 0.839 nan 8.280 nan 0.000 0.491 1021 I N 4.844 125.321 120.570 -0.156 0.000 2.428 1021 I HA 0.428 4.593 4.170 -0.009 0.000 0.289 1021 I C -1.563 174.364 176.117 -0.317 0.000 1.019 1021 I CA -0.194 61.049 61.300 -0.095 0.000 1.351 1021 I CB 0.657 38.567 38.000 -0.150 0.000 1.412 1021 I HN 0.436 nan 8.210 nan 0.000 0.513 1022 L N 6.202 127.378 121.223 -0.079 0.000 2.399 1022 L HA 0.420 4.755 4.340 -0.009 0.000 0.266 1022 L C -0.110 176.673 176.870 -0.144 0.000 1.114 1022 L CA 0.026 54.821 54.840 -0.075 0.000 0.804 1022 L CB 0.702 42.792 42.059 0.053 0.000 1.146 1022 L HN 0.885 nan 8.230 nan 0.000 0.451 1023 N N 1.193 119.851 118.700 -0.070 0.000 2.509 1023 N HA 0.541 5.276 4.740 -0.009 0.000 0.287 1023 N C -2.529 173.011 175.510 0.050 0.000 1.121 1023 N CA -1.446 51.628 53.050 0.040 0.000 0.977 1023 N CB -0.535 38.035 38.487 0.140 0.000 1.167 1023 N HN 0.297 nan 8.380 nan 0.000 0.476 1024 P HA 0.106 nan 4.420 nan 0.000 0.270 1024 P C -0.177 177.146 177.300 0.038 0.000 1.216 1024 P CA -0.273 62.855 63.100 0.048 0.000 0.788 1024 P CB 0.393 32.124 31.700 0.052 0.000 0.883 1025 A N 0.391 123.227 122.820 0.028 0.000 3.669 1025 A HA 0.493 4.808 4.320 -0.009 0.000 0.190 1025 A C 0.097 177.694 177.584 0.021 0.000 1.964 1025 A CA 0.620 52.670 52.037 0.022 0.000 1.580 1025 A CB -0.917 18.091 19.000 0.013 0.000 1.200 1025 A HN 0.534 nan 8.150 nan 0.000 0.359 1100 K N 0.420 120.828 120.400 0.013 0.000 5.617 1100 K HA -0.035 4.280 4.320 -0.009 0.000 0.401 1100 K C 0.841 177.452 176.600 0.018 0.000 0.978 1100 K CA 0.741 57.035 56.287 0.012 0.000 1.200 1100 K CB -1.458 31.046 32.500 0.006 0.000 1.863 1100 K HN 1.309 nan 8.250 nan 0.000 0.382 1101 A N 2.329 125.165 122.820 0.027 0.000 2.507 1101 A HA 0.260 4.574 4.320 -0.009 0.000 0.235 1101 A C 0.617 178.224 177.584 0.039 0.000 1.070 1101 A CA 0.200 52.263 52.037 0.043 0.000 0.768 1101 A CB 0.284 19.323 19.000 0.066 0.000 1.011 1101 A HN 0.639 nan 8.150 nan 0.000 0.502 1102 N N -0.484 118.248 118.700 0.052 0.000 2.362 1102 N HA 0.532 5.267 4.740 -0.009 0.000 0.299 1102 N C 0.884 176.437 175.510 0.072 0.000 1.170 1102 N CA 0.060 53.136 53.050 0.043 0.000 0.825 1102 N CB 1.681 40.190 38.487 0.036 0.000 1.299 1102 N HN 0.593 nan 8.380 nan 0.000 0.502 1103 A N 1.195 124.040 122.820 0.042 0.000 2.032 1103 A HA -0.186 4.129 4.320 -0.009 0.000 0.221 1103 A C 1.253 178.915 177.584 0.130 0.000 1.165 1103 A CA 1.737 53.810 52.037 0.059 0.000 0.645 1103 A CB -0.393 18.608 19.000 0.000 0.000 0.807 1103 A HN 0.764 nan 8.150 nan 0.000 0.453 1104 D N 0.186 120.643 120.400 0.094 0.000 2.103 1104 D HA -0.096 4.539 4.640 -0.009 0.000 0.199 1104 D C 1.331 177.700 176.300 0.115 0.000 0.978 1104 D CA 1.281 55.339 54.000 0.096 0.000 0.829 1104 D CB -0.468 40.369 40.800 0.062 0.000 0.981 1104 D HN 0.390 nan 8.370 nan 0.000 0.464 1105 D N -0.061 120.400 120.400 0.103 0.000 2.149 1105 D HA -0.190 4.445 4.640 -0.009 0.000 0.198 1105 D C 1.933 178.306 176.300 0.123 0.000 0.990 1105 D CA 0.669 54.725 54.000 0.093 0.000 0.839 1105 D CB -0.450 40.396 40.800 0.077 0.000 0.948 1105 D HN 0.312 nan 8.370 nan 0.000 0.460 1106 Y N 1.557 121.880 120.300 0.039 0.000 2.274 1106 Y HA -0.125 4.420 4.550 -0.009 0.000 0.290 1106 Y C 2.272 178.240 175.900 0.113 0.000 1.145 1106 Y CA 1.413 59.540 58.100 0.046 0.000 1.203 1106 Y CB -0.157 38.302 38.460 -0.001 0.000 0.984 1106 Y HN -0.052 nan 8.280 nan 0.000 0.533 1107 A N 0.372 123.308 122.820 0.194 0.000 1.902 1107 A HA -0.195 4.120 4.320 -0.009 0.000 0.217 1107 A C 2.078 179.746 177.584 0.139 0.000 1.181 1107 A CA 1.930 54.093 52.037 0.209 0.000 0.623 1107 A CB -0.641 18.494 19.000 0.226 0.000 0.818 1107 A HN 0.630 nan 8.150 nan 0.000 0.443 1108 E N -0.126 120.116 120.200 0.071 0.000 2.106 1108 E HA -0.092 4.253 4.350 -0.009 0.000 0.192 1108 E C 2.192 178.743 176.600 -0.081 0.000 0.984 1108 E CA 1.220 57.601 56.400 -0.032 0.000 0.806 1108 E CB -0.161 29.535 29.700 -0.006 0.000 0.750 1108 E HN 0.555 nan 8.360 nan 0.000 0.458 1109 S N 0.542 116.208 115.700 -0.056 0.000 2.423 1109 S HA -0.096 4.369 4.470 -0.009 0.000 0.231 1109 S C 1.472 176.041 174.600 -0.052 0.000 1.014 1109 S CA 0.561 58.722 58.200 -0.065 0.000 0.965 1109 S CB -0.140 63.017 63.200 -0.072 0.000 0.785 1109 S HN 0.254 nan 8.310 nan 0.000 0.495 1110 F N 3.392 123.160 119.950 -0.303 0.000 2.335 1110 F HA 0.081 4.603 4.527 -0.009 0.000 0.296 1110 F C 2.124 177.888 175.800 -0.060 0.000 1.091 1110 F CA 0.530 58.390 58.000 -0.233 0.000 1.399 1110 F CB -0.304 38.452 39.000 -0.406 0.000 1.067 1110 F HN 0.100 nan 8.300 nan 0.000 0.520 1111 R N 0.014 120.337 120.500 -0.295 0.000 2.066 1111 R HA -0.115 4.219 4.340 -0.009 0.000 0.232 1111 R C 1.570 177.648 176.300 -0.370 0.000 1.131 1111 R CA 1.897 57.702 56.100 -0.492 0.000 0.955 1111 R CB -1.220 28.575 30.300 -0.842 0.000 0.851 1111 R HN 0.095 nan 8.270 nan 0.000 0.432 1112 D N 0.592 120.844 120.400 -0.247 0.000 2.117 1112 D HA -0.177 4.458 4.640 -0.009 0.000 0.197 1112 D C 1.640 177.894 176.300 -0.077 0.000 0.987 1112 D CA 1.195 55.115 54.000 -0.133 0.000 0.829 1112 D CB -0.385 40.373 40.800 -0.070 0.000 0.961 1112 D HN 0.266 nan 8.370 nan 0.000 0.460 1113 F N 1.501 121.350 119.950 -0.168 0.000 2.171 1113 F HA -0.171 4.351 4.527 -0.009 0.000 0.300 1113 F C 2.196 177.900 175.800 -0.161 0.000 1.090 1113 F CA 1.465 59.393 58.000 -0.120 0.000 1.293 1113 F CB -0.245 38.721 39.000 -0.056 0.000 1.013 1113 F HN -0.092 nan 8.300 nan 0.000 0.486 1114 Q N -0.458 119.009 119.800 -0.554 0.000 2.016 1114 Q HA -0.182 4.153 4.340 -0.009 0.000 0.200 1114 Q C 2.496 178.258 176.000 -0.397 0.000 0.978 1114 Q CA 1.974 57.401 55.803 -0.627 0.000 0.833 1114 Q CB -0.681 27.709 28.738 -0.580 0.000 0.895 1114 Q HN 0.485 nan 8.270 nan 0.000 0.427 1115 C N 0.715 119.854 119.300 -0.268 0.000 2.401 1115 C HA -0.166 4.288 4.460 -0.009 0.000 0.276 1115 C C 3.107 178.012 174.990 -0.141 0.000 1.233 1115 C CA 1.347 60.281 59.018 -0.140 0.000 1.753 1115 C CB -1.208 26.503 27.740 -0.049 0.000 2.029 1115 C HN 0.669 nan 8.230 nan 0.000 0.478 1116 S N -0.061 115.540 115.700 -0.166 0.000 2.440 1116 S HA -0.207 4.257 4.470 -0.009 0.000 0.238 1116 S C 1.703 176.205 174.600 -0.164 0.000 1.010 1116 S CA 1.317 59.438 58.200 -0.130 0.000 0.972 1116 S CB -0.395 62.748 63.200 -0.094 0.000 0.774 1116 S HN 0.694 nan 8.310 nan 0.000 0.501 1117 Q N 1.180 120.822 119.800 -0.264 0.000 2.134 1117 Q HA 0.200 4.535 4.340 -0.009 0.000 0.195 1117 Q C 2.427 178.335 176.000 -0.152 0.000 0.958 1117 Q CA 1.191 56.846 55.803 -0.246 0.000 0.840 1117 Q CB -0.430 28.066 28.738 -0.403 0.000 0.918 1117 Q HN 0.854 nan 8.270 nan 0.000 0.467 1118 I N -1.196 119.289 120.570 -0.141 0.000 2.761 1118 I HA -0.156 4.009 4.170 -0.009 0.000 0.266 1118 I C 1.884 177.962 176.117 -0.065 0.000 1.239 1118 I CA 0.869 62.120 61.300 -0.082 0.000 1.451 1118 I CB -0.131 37.843 38.000 -0.043 0.000 1.096 1118 I HN -0.078 nan 8.210 nan 0.000 0.465 1119 V N 2.411 122.284 119.914 -0.068 0.000 3.174 1119 V HA -0.070 4.045 4.120 -0.009 0.000 0.254 1119 V C 2.217 178.284 176.094 -0.046 0.000 1.120 1119 V CA 1.648 63.915 62.300 -0.055 0.000 1.114 1119 V CB -0.461 31.332 31.823 -0.050 0.000 0.756 1119 V HN 0.729 nan 8.190 nan 0.000 0.467 1120 K N -1.369 119.002 120.400 -0.049 0.000 2.358 1120 K HA 0.230 4.544 4.320 -0.009 0.000 0.200 1120 K C 0.415 176.997 176.600 -0.031 0.000 1.030 1120 K CA -0.132 56.133 56.287 -0.035 0.000 1.097 1120 K CB -0.066 32.415 32.500 -0.032 0.000 0.862 1120 K HN 0.447 nan 8.250 nan 0.000 0.534 1121 C N 2.010 121.288 119.300 -0.038 0.000 2.365 1121 C HA 0.282 4.737 4.460 -0.009 0.000 0.374 1121 C C 0.312 175.289 174.990 -0.022 0.000 1.318 1121 C CA -0.847 58.153 59.018 -0.030 0.000 2.239 1121 C CB 0.784 28.502 27.740 -0.037 0.000 2.144 1121 C HN 0.418 nan 8.230 nan 0.000 0.581 1122 E N 1.226 121.418 120.200 -0.014 0.000 2.299 1122 E HA 0.093 4.438 4.350 -0.009 0.000 0.272 1122 E C 0.797 177.388 176.600 -0.015 0.000 1.043 1122 E CA -0.145 56.248 56.400 -0.011 0.000 0.895 1122 E CB 0.514 30.212 29.700 -0.004 0.000 1.011 1122 E HN 0.587 nan 8.360 nan 0.000 0.432 1123 L N 1.827 123.039 121.223 -0.020 0.000 2.351 1123 L HA -0.071 4.264 4.340 -0.009 0.000 0.220 1123 L C 1.001 177.859 176.870 -0.020 0.000 1.127 1123 L CA 1.612 56.435 54.840 -0.027 0.000 0.786 1123 L CB -0.419 41.619 42.059 -0.036 0.000 0.914 1123 L HN 0.437 nan 8.230 nan 0.000 0.443 1127 E N 0.950 121.167 120.200 0.029 0.000 2.153 1127 E HA -0.175 4.170 4.350 -0.009 0.000 0.194 1127 E C 1.746 178.423 176.600 0.127 0.000 0.988 1127 E CA 1.565 58.004 56.400 0.066 0.000 0.811 1127 E CB -0.072 29.641 29.700 0.023 0.000 0.746 1127 E HN 0.645 nan 8.360 nan 0.000 0.466 1128 K N 0.306 120.751 120.400 0.074 0.000 1.973 1128 K HA -0.123 4.192 4.320 -0.009 0.000 0.210 1128 K C 2.270 178.906 176.600 0.061 0.000 1.045 1128 K CA 1.464 57.788 56.287 0.063 0.000 0.937 1128 K CB -0.278 32.248 32.500 0.042 0.000 0.721 1128 K HN 0.163 nan 8.250 nan 0.000 0.438 1129 I N 0.667 121.263 120.570 0.044 0.000 2.091 1129 I HA -0.396 3.769 4.170 -0.009 0.000 0.240 1129 I C 2.563 178.692 176.117 0.021 0.000 1.046 1129 I CA 1.889 63.195 61.300 0.010 0.000 1.306 1129 I CB -0.651 37.332 38.000 -0.029 0.000 1.018 1129 I HN 0.231 nan 8.210 nan 0.000 0.404 1130 Y N 2.156 122.427 120.300 -0.048 0.000 2.139 1130 Y HA -0.366 4.179 4.550 -0.009 0.000 0.282 1130 Y C 2.172 178.062 175.900 -0.016 0.000 1.179 1130 Y CA 2.346 60.423 58.100 -0.037 0.000 1.161 1130 Y CB -0.856 37.583 38.460 -0.035 0.000 0.970 1130 Y HN 0.241 nan 8.280 nan 0.000 0.511 1131 N N 0.014 118.639 118.700 -0.125 0.000 2.069 1131 N HA -0.207 4.528 4.740 -0.009 0.000 0.191 1131 N C 1.327 176.728 175.510 -0.181 0.000 1.031 1131 N CA 1.324 54.251 53.050 -0.206 0.000 0.852 1131 N CB -0.200 38.280 38.487 -0.012 0.000 1.018 1131 N HN 0.441 nan 8.380 nan 0.000 0.423 1132 D N 0.364 120.710 120.400 -0.090 0.000 2.144 1132 D HA -0.097 4.537 4.640 -0.009 0.000 0.199 1132 D C 2.090 178.354 176.300 -0.059 0.000 0.984 1132 D CA 0.706 54.679 54.000 -0.044 0.000 0.834 1132 D CB -0.402 40.404 40.800 0.009 0.000 0.955 1132 D HN 0.083 nan 8.370 nan 0.000 0.465 1133 V N 1.075 120.923 119.914 -0.110 0.000 2.261 1133 V HA -0.220 3.895 4.120 -0.009 0.000 0.246 1133 V C 2.758 178.823 176.094 -0.048 0.000 1.047 1133 V CA 1.196 63.453 62.300 -0.072 0.000 1.015 1133 V CB -0.610 31.146 31.823 -0.111 0.000 0.642 1133 V HN 0.047 nan 8.190 nan 0.000 0.446 1134 V N 0.448 120.234 119.914 -0.215 0.000 2.343 1134 V HA -0.253 3.861 4.120 -0.009 0.000 0.247 1134 V C 2.740 178.771 176.094 -0.104 0.000 1.051 1134 V CA 1.954 64.141 62.300 -0.187 0.000 1.036 1134 V CB -1.338 30.250 31.823 -0.392 0.000 0.654 1134 V HN 0.552 nan 8.190 nan 0.000 0.451 1135 A N 0.054 122.805 122.820 -0.115 0.000 1.908 1135 A HA -0.152 4.162 4.320 -0.009 0.000 0.218 1135 A C 2.380 179.920 177.584 -0.074 0.000 1.181 1135 A CA 2.405 54.397 52.037 -0.075 0.000 0.627 1135 A CB -0.699 18.265 19.000 -0.060 0.000 0.818 1135 A HN 0.593 nan 8.150 nan 0.000 0.445 1136 A N -1.743 121.031 122.820 -0.077 0.000 1.903 1136 A HA 0.041 4.355 4.320 -0.009 0.000 0.213 1136 A C 1.186 178.540 177.584 -0.384 0.000 1.185 1136 A CA 0.775 52.694 52.037 -0.198 0.000 0.628 1136 A CB -0.292 18.621 19.000 -0.144 0.000 0.830 1136 A HN 0.628 nan 8.150 nan 0.000 0.446 1137 H N -1.119 117.922 119.070 -0.048 0.000 2.340 1137 H HA 0.214 4.764 4.556 -0.009 0.000 0.233 1137 H C -2.138 173.193 175.328 0.006 0.000 1.435 1137 H CA -1.620 54.411 56.048 -0.028 0.000 1.389 1137 H CB 0.651 30.367 29.762 -0.077 0.000 1.491 1137 H HN 0.263 nan 8.280 nan 0.000 0.518 1138 P HA -0.229 nan 4.420 nan 0.000 0.214 1138 P C 1.892 179.227 177.300 0.057 0.000 1.163 1138 P CA 1.352 64.471 63.100 0.030 0.000 0.889 1138 P CB 0.514 32.216 31.700 0.003 0.000 0.790 1139 K N -0.769 119.674 120.400 0.071 0.000 2.360 1139 K HA -0.171 4.144 4.320 -0.009 0.000 0.201 1139 K C 0.643 177.293 176.600 0.083 0.000 1.046 1139 K CA 0.767 57.091 56.287 0.062 0.000 0.945 1139 K CB -1.529 31.004 32.500 0.056 0.000 0.750 1139 K HN 0.140 nan 8.250 nan 0.000 0.464 1140 H N 1.027 120.111 119.070 0.024 0.000 3.432 1140 H HA 0.066 4.617 4.556 -0.009 0.000 0.252 1140 H C 0.682 176.006 175.328 -0.006 0.000 1.397 1140 H CA 0.225 56.274 56.048 0.002 0.000 1.549 1140 H CB -0.382 29.375 29.762 -0.008 0.000 1.699 1140 H HN 0.159 nan 8.280 nan 0.000 0.523 1141 L N 2.089 123.205 121.223 -0.180 0.000 2.156 1141 L HA -0.140 4.194 4.340 -0.009 0.000 0.208 1141 L C 2.389 179.143 176.870 -0.193 0.000 1.095 1141 L CA 0.455 55.215 54.840 -0.134 0.000 0.770 1141 L CB -0.247 41.748 42.059 -0.106 0.000 0.914 1141 L HN 0.566 nan 8.230 nan 0.000 0.439 1142 Q N 0.292 119.856 119.800 -0.393 0.000 2.268 1142 Q HA -0.248 4.087 4.340 -0.009 0.000 0.210 1142 Q C 2.354 178.258 176.000 -0.160 0.000 0.988 1142 Q CA 1.763 57.375 55.803 -0.317 0.000 0.883 1142 Q CB -0.250 28.229 28.738 -0.433 0.000 0.911 1142 Q HN 0.582 nan 8.270 nan 0.000 0.430 1143 A N 0.610 123.377 122.820 -0.089 0.000 1.972 1143 A HA -0.216 4.098 4.320 -0.009 0.000 0.219 1143 A C 1.830 179.527 177.584 0.187 0.000 1.169 1143 A CA 1.621 53.731 52.037 0.122 0.000 0.635 1143 A CB -0.608 18.514 19.000 0.202 0.000 0.810 1143 A HN 0.485 nan 8.150 nan 0.000 0.446 1144 N N -0.070 118.716 118.700 0.143 0.000 2.058 1144 N HA -0.109 4.626 4.740 -0.009 0.000 0.191 1144 N C 1.503 176.974 175.510 -0.065 0.000 1.037 1144 N CA 1.374 54.463 53.050 0.065 0.000 0.848 1144 N CB -0.196 38.315 38.487 0.041 0.000 1.021 1144 N HN 0.246 nan 8.380 nan 0.000 0.422 1145 L N 1.003 122.185 121.223 -0.068 0.000 2.079 1145 L HA -0.132 4.203 4.340 -0.009 0.000 0.210 1145 L C 2.037 178.856 176.870 -0.084 0.000 1.081 1145 L CA 1.419 56.206 54.840 -0.088 0.000 0.752 1145 L CB -1.291 40.714 42.059 -0.091 0.000 0.896 1145 L HN 0.333 nan 8.230 nan 0.000 0.433 1146 L N -1.271 119.913 121.223 -0.064 0.000 2.056 1146 L HA -0.230 4.105 4.340 -0.009 0.000 0.207 1146 L C 2.602 179.425 176.870 -0.080 0.000 1.078 1146 L CA 0.823 55.629 54.840 -0.057 0.000 0.749 1146 L CB -0.410 41.631 42.059 -0.031 0.000 0.901 1146 L HN 0.238 nan 8.230 nan 0.000 0.433 1147 L N -0.054 121.100 121.223 -0.115 0.000 2.042 1147 L HA -0.268 4.066 4.340 -0.009 0.000 0.210 1147 L C 2.539 179.307 176.870 -0.171 0.000 1.076 1147 L CA 1.524 56.249 54.840 -0.192 0.000 0.749 1147 L CB -0.127 41.664 42.059 -0.448 0.000 0.893 1147 L HN 0.223 nan 8.230 nan 0.000 0.432 1148 I N -0.290 120.182 120.570 -0.163 0.000 2.091 1148 I HA -0.416 3.749 4.170 -0.009 0.000 0.239 1148 I C 2.605 178.662 176.117 -0.099 0.000 1.061 1148 I CA 1.652 62.872 61.300 -0.133 0.000 1.317 1148 I CB -0.368 37.557 38.000 -0.125 0.000 1.031 1148 I HN 0.364 nan 8.210 nan 0.000 0.401 1149 Q N 0.142 119.892 119.800 -0.084 0.000 2.173 1149 Q HA -0.287 4.047 4.340 -0.009 0.000 0.208 1149 Q C 1.982 177.948 176.000 -0.057 0.000 0.989 1149 Q CA 2.145 57.910 55.803 -0.062 0.000 0.872 1149 Q CB -0.532 28.174 28.738 -0.054 0.000 0.909 1149 Q HN 0.599 nan 8.270 nan 0.000 0.420 1150 N N 0.462 119.122 118.700 -0.066 0.000 2.109 1150 N HA -0.125 4.609 4.740 -0.009 0.000 0.188 1150 N C 1.869 177.345 175.510 -0.057 0.000 1.034 1150 N CA 0.724 53.739 53.050 -0.058 0.000 0.846 1150 N CB 0.031 38.479 38.487 -0.065 0.000 1.010 1150 N HN 0.160 nan 8.380 nan 0.000 0.425 1151 I N 1.437 121.961 120.570 -0.076 0.000 2.248 1151 I HA -0.257 3.908 4.170 -0.009 0.000 0.248 1151 I C 1.929 178.015 176.117 -0.052 0.000 1.107 1151 I CA 1.328 62.586 61.300 -0.070 0.000 1.373 1151 I CB -0.421 37.522 38.000 -0.094 0.000 1.055 1151 I HN 0.415 nan 8.210 nan 0.000 0.418 1152 E N -0.172 119.996 120.200 -0.053 0.000 2.476 1152 E HA -0.045 4.299 4.350 -0.009 0.000 0.191 1152 E C 1.704 178.291 176.600 -0.021 0.000 1.064 1152 E CA 0.514 56.891 56.400 -0.039 0.000 0.866 1152 E CB 0.225 29.895 29.700 -0.049 0.000 0.952 1152 E HN 0.241 nan 8.360 nan 0.000 0.492 1153 S N -0.080 115.606 115.700 -0.023 0.000 2.524 1153 S HA 0.111 4.576 4.470 -0.009 0.000 0.222 1153 S C 1.030 175.625 174.600 -0.009 0.000 1.040 1153 S CA 0.025 58.217 58.200 -0.013 0.000 0.915 1153 S CB 0.141 63.331 63.200 -0.017 0.000 0.831 1153 S HN 0.208 nan 8.310 nan 0.000 0.492 1154 N N 0.694 119.385 118.700 -0.014 0.000 2.322 1154 N HA 0.246 4.980 4.740 -0.009 0.000 0.181 1154 N C 1.495 177.001 175.510 -0.006 0.000 1.088 1154 N CA 0.380 53.424 53.050 -0.010 0.000 0.885 1154 N CB 0.179 38.657 38.487 -0.016 0.000 1.013 1154 N HN 0.321 nan 8.380 nan 0.000 0.472 1155 Q N -0.285 119.512 119.800 -0.005 0.000 2.532 1155 Q HA 0.294 4.629 4.340 -0.009 0.000 0.247 1155 Q C -0.171 175.839 176.000 0.017 0.000 0.872 1155 Q CA 0.434 56.237 55.803 0.001 0.000 0.963 1155 Q CB 0.735 29.468 28.738 -0.009 0.000 1.159 1155 Q HN 0.269 nan 8.270 nan 0.000 0.598 1156 L N -0.725 120.511 121.223 0.022 0.000 2.386 1156 L HA 0.574 4.908 4.340 -0.009 0.000 0.271 1156 L C -0.722 176.183 176.870 0.058 0.000 0.993 1156 L CA -1.076 53.797 54.840 0.054 0.000 0.819 1156 L CB 1.586 43.684 42.059 0.065 0.000 1.294 1156 L HN -0.241 nan 8.230 nan 0.000 0.414 1157 K N 0.946 121.395 120.400 0.083 0.000 2.295 1157 K HA 0.397 4.711 4.320 -0.009 0.000 0.270 1157 K C 0.169 176.826 176.600 0.095 0.000 1.011 1157 K CA -0.003 56.330 56.287 0.075 0.000 0.953 1157 K CB 0.567 33.111 32.500 0.072 0.000 0.956 1157 K HN 0.800 nan 8.250 nan 0.000 0.477 1158 S N 2.965 118.703 115.700 0.063 0.000 2.494 1158 S HA 0.071 4.536 4.470 -0.009 0.000 0.312 1158 S C -0.448 174.190 174.600 0.064 0.000 1.121 1158 S CA -0.867 57.368 58.200 0.058 0.000 1.068 1158 S CB -0.222 62.997 63.200 0.031 0.000 1.141 1158 S HN 0.564 nan 8.310 nan 0.000 0.527 1159 Q N 2.442 122.310 119.800 0.113 0.000 2.397 1159 Q HA 0.663 4.998 4.340 -0.009 0.000 0.275 1159 Q C -1.283 174.763 176.000 0.076 0.000 1.090 1159 Q CA -1.268 54.595 55.803 0.100 0.000 0.809 1159 Q CB 0.945 29.781 28.738 0.163 0.000 1.362 1159 Q HN 0.452 nan 8.270 nan 0.000 0.431 1160 L N 1.693 122.884 121.223 -0.053 0.000 2.466 1160 L HA 0.308 4.643 4.340 -0.009 0.000 0.257 1160 L C -1.632 174.994 176.870 -0.406 0.000 1.189 1160 L CA -1.416 53.285 54.840 -0.231 0.000 0.813 1160 L CB -0.403 41.515 42.059 -0.234 0.000 1.118 1160 L HN 0.519 nan 8.230 nan 0.000 0.471 1161 P HA -0.264 nan 4.420 nan 0.000 0.209 1161 P C 1.654 178.552 177.300 -0.671 0.000 1.080 1161 P CA 1.397 63.597 63.100 -1.500 0.000 0.971 1161 P CB 0.007 30.883 31.700 -1.374 0.000 0.768 1162 L N -1.531 119.444 121.223 -0.412 0.000 2.042 1162 L HA -0.175 4.160 4.340 -0.009 0.000 0.210 1162 L C 2.471 179.309 176.870 -0.054 0.000 1.076 1162 L CA 2.205 56.965 54.840 -0.133 0.000 0.749 1162 L CB -1.965 40.106 42.059 0.020 0.000 0.893 1162 L HN 0.047 nan 8.230 nan 0.000 0.432 1163 T N -1.017 113.504 114.554 -0.055 0.000 2.803 1163 T HA -0.240 4.105 4.350 -0.009 0.000 0.269 1163 T C 1.693 176.417 174.700 0.040 0.000 1.052 1163 T CA 1.501 63.597 62.100 -0.007 0.000 1.136 1163 T CB -0.449 68.410 68.868 -0.014 0.000 0.864 1163 T HN 0.263 nan 8.240 nan 0.000 0.467 1164 F N 1.331 121.237 119.950 -0.073 0.000 2.113 1164 F HA -0.090 4.432 4.527 -0.009 0.000 0.297 1164 F C 2.235 178.047 175.800 0.020 0.000 1.103 1164 F CA 0.863 58.873 58.000 0.015 0.000 1.248 1164 F CB -0.394 38.694 39.000 0.146 0.000 0.999 1164 F HN -0.114 nan 8.300 nan 0.000 0.475 1165 V N 1.184 121.146 119.914 0.080 0.000 2.237 1165 V HA -0.358 3.757 4.120 -0.009 0.000 0.245 1165 V C 2.099 178.166 176.094 -0.046 0.000 1.046 1165 V CA 2.298 64.609 62.300 0.017 0.000 1.007 1165 V CB -0.893 30.982 31.823 0.086 0.000 0.638 1165 V HN 0.360 nan 8.190 nan 0.000 0.445 1166 N N 0.856 119.546 118.700 -0.017 0.000 2.192 1166 N HA -0.150 4.584 4.740 -0.009 0.000 0.188 1166 N C 1.435 176.910 175.510 -0.058 0.000 1.013 1166 N CA 1.622 54.660 53.050 -0.019 0.000 0.863 1166 N CB -0.509 37.977 38.487 -0.003 0.000 0.990 1166 N HN 0.538 nan 8.380 nan 0.000 0.430 1167 A N -0.049 122.709 122.820 -0.103 0.000 2.327 1167 A HA 0.072 4.387 4.320 -0.009 0.000 0.228 1167 A C 0.904 178.377 177.584 -0.186 0.000 1.275 1167 A CA 0.151 52.112 52.037 -0.127 0.000 0.875 1167 A CB 0.123 19.050 19.000 -0.120 0.000 0.925 1167 A HN 0.072 nan 8.150 nan 0.000 0.493 1168 Q N 0.245 119.933 119.800 -0.186 0.000 2.182 1168 Q HA 0.263 4.597 4.340 -0.009 0.000 0.270 1168 Q C -0.925 175.020 176.000 -0.092 0.000 0.861 1168 Q CA 0.318 56.014 55.803 -0.180 0.000 1.098 1168 Q CB 0.413 29.012 28.738 -0.232 0.000 1.188 1168 Q HN 0.569 nan 8.270 nan 0.000 0.464 1169 K N -0.602 119.757 120.400 -0.068 0.000 2.527 1169 K HA 0.470 4.785 4.320 -0.009 0.000 0.260 1169 K C -0.044 176.536 176.600 -0.033 0.000 0.937 1169 K CA -0.330 55.933 56.287 -0.039 0.000 0.826 1169 K CB 1.934 34.419 32.500 -0.025 0.000 1.359 1169 K HN -0.015 nan 8.250 nan 0.000 0.434 1170 T N 0.229 114.769 114.554 -0.024 0.000 14.059 1170 T HA -0.345 4.000 4.350 -0.009 0.000 0.419 1170 T C -0.285 174.402 174.700 -0.021 0.000 1.441 1170 T CA 1.514 63.602 62.100 -0.019 0.000 2.333 1170 T CB -1.774 67.085 68.868 -0.015 0.000 2.762 1170 T HN 1.544 nan 8.240 nan 0.000 0.312 1171 S N 0.341 116.029 115.700 -0.019 0.000 3.386 1171 S HA -0.079 4.385 4.470 -0.009 0.000 0.403 1171 S C -1.851 172.739 174.600 -0.016 0.000 0.893 1171 S CA 0.586 58.775 58.200 -0.018 0.000 1.336 1171 S CB -1.493 61.692 63.200 -0.024 0.000 0.925 1171 S HN 0.787 nan 8.310 nan 0.000 0.589 1172 P HA 0.217 nan 4.420 nan 0.000 0.255 1172 P C -1.278 176.017 177.300 -0.009 0.000 1.248 1172 P CA -0.222 62.872 63.100 -0.011 0.000 0.807 1172 P CB -0.519 31.176 31.700 -0.009 0.000 1.150 1173 P HA -0.210 nan 4.420 nan 0.000 0.216 1173 P C 0.952 178.248 177.300 -0.007 0.000 1.157 1173 P CA 1.469 64.565 63.100 -0.007 0.000 0.880 1173 P CB -0.194 31.502 31.700 -0.007 0.000 0.791 1174 E N 0.147 120.342 120.200 -0.008 0.000 4.471 1174 E HA 0.357 4.701 4.350 -0.009 0.000 0.438 1174 E C 0.166 176.762 176.600 -0.007 0.000 1.497 1174 E CA -0.715 55.681 56.400 -0.007 0.000 2.657 1174 E CB -0.184 29.511 29.700 -0.008 0.000 1.488 1174 E HN -0.035 nan 8.360 nan 0.000 0.743 1175 A N -0.282 122.533 122.820 -0.007 0.000 2.316 1175 A HA 0.445 4.760 4.320 -0.009 0.000 0.284 1175 A C 0.964 178.544 177.584 -0.008 0.000 1.115 1175 A CA 0.004 52.037 52.037 -0.007 0.000 0.812 1175 A CB 0.801 19.798 19.000 -0.005 0.000 1.064 1175 A HN 0.650 nan 8.150 nan 0.000 0.489 1176 G N -0.354 108.442 108.800 -0.007 0.000 2.534 1176 G HA2 -0.032 3.923 3.960 -0.009 0.000 0.217 1176 G HA3 -0.032 3.923 3.960 -0.009 0.000 0.217 1176 G C 0.948 175.844 174.900 -0.007 0.000 1.128 1176 G CA 0.700 45.795 45.100 -0.007 0.000 0.784 1176 G HN 0.717 nan 8.290 nan 0.000 0.542 1177 E N 0.436 120.632 120.200 -0.006 0.000 2.099 1177 E HA -0.032 4.313 4.350 -0.009 0.000 0.191 1177 E C 2.607 179.204 176.600 -0.006 0.000 0.962 1177 E CA 0.648 57.044 56.400 -0.005 0.000 0.826 1177 E CB -0.476 29.222 29.700 -0.004 0.000 0.788 1177 E HN 0.319 nan 8.360 nan 0.000 0.461 1178 S N 0.882 116.579 115.700 -0.006 0.000 2.465 1178 S HA -0.131 4.333 4.470 -0.009 0.000 0.241 1178 S C 1.861 176.456 174.600 -0.008 0.000 1.000 1178 S CA 1.052 59.248 58.200 -0.006 0.000 0.964 1178 S CB -0.102 63.095 63.200 -0.006 0.000 0.763 1178 S HN 0.271 nan 8.310 nan 0.000 0.512 1179 A N -0.045 122.769 122.820 -0.010 0.000 2.209 1179 A HA 0.082 4.397 4.320 -0.009 0.000 0.212 1179 A C 1.596 179.173 177.584 -0.013 0.000 1.158 1179 A CA 1.248 53.276 52.037 -0.014 0.000 0.742 1179 A CB -0.299 18.691 19.000 -0.016 0.000 0.790 1179 A HN 0.537 nan 8.150 nan 0.000 0.472 1180 D N -0.778 119.616 120.400 -0.009 0.000 2.431 1180 D HA 0.059 4.693 4.640 -0.009 0.000 0.235 1180 D C 1.820 178.117 176.300 -0.005 0.000 0.980 1180 D CA 0.727 54.723 54.000 -0.007 0.000 0.912 1180 D CB -0.033 40.764 40.800 -0.005 0.000 1.056 1180 D HN 0.258 nan 8.370 nan 0.000 0.494 1181 K N 0.491 120.888 120.400 -0.004 0.000 2.283 1181 K HA -0.049 4.265 4.320 -0.009 0.000 0.202 1181 K C 1.737 178.335 176.600 -0.003 0.000 1.048 1181 K CA 0.757 57.042 56.287 -0.003 0.000 0.948 1181 K CB 0.085 32.584 32.500 -0.003 0.000 0.742 1181 K HN 0.285 nan 8.250 nan 0.000 0.458 1182 Q N 0.142 119.940 119.800 -0.005 0.000 2.302 1182 Q HA -0.008 4.327 4.340 -0.009 0.000 0.202 1182 Q C 1.344 177.342 176.000 -0.003 0.000 0.936 1182 Q CA 0.765 56.566 55.803 -0.004 0.000 0.886 1182 Q CB 0.308 29.041 28.738 -0.008 0.000 0.986 1182 Q HN 0.184 nan 8.270 nan 0.000 0.487 1183 K N 0.218 120.615 120.400 -0.006 0.000 2.361 1183 K HA 0.042 4.356 4.320 -0.009 0.000 0.194 1183 K C 1.312 177.915 176.600 0.005 0.000 1.032 1183 K CA 0.227 56.511 56.287 -0.004 0.000 1.048 1183 K CB 0.504 32.994 32.500 -0.017 0.000 0.842 1183 K HN 0.123 nan 8.250 nan 0.000 0.526 1184 E N 0.752 120.954 120.200 0.003 0.000 2.385 1184 E HA -0.088 4.257 4.350 -0.009 0.000 0.194 1184 E C 0.653 177.255 176.600 0.004 0.000 1.013 1184 E CA 0.532 56.935 56.400 0.004 0.000 0.866 1184 E CB 0.288 29.989 29.700 0.001 0.000 0.832 1184 E HN 0.218 nan 8.360 nan 0.000 0.500 1185 D N 0.977 121.379 120.400 0.004 0.000 2.183 1185 D HA -0.109 4.526 4.640 -0.009 0.000 0.203 1185 D C 1.796 178.100 176.300 0.007 0.000 0.969 1185 D CA 0.858 54.859 54.000 0.002 0.000 0.842 1185 D CB 0.022 40.823 40.800 0.002 0.000 0.957 1185 D HN 0.189 nan 8.370 nan 0.000 0.484 1186 Q N 0.262 120.073 119.800 0.018 0.000 2.079 1186 Q HA -0.118 4.217 4.340 -0.009 0.000 0.200 1186 Q C 2.079 178.095 176.000 0.026 0.000 0.974 1186 Q CA 0.961 56.786 55.803 0.036 0.000 0.840 1186 Q CB 0.026 28.805 28.738 0.069 0.000 0.898 1186 Q HN 0.173 nan 8.270 nan 0.000 0.430 1187 K N 1.302 121.715 120.400 0.022 0.000 2.002 1187 K HA -0.237 4.078 4.320 -0.009 0.000 0.209 1187 K C 2.077 178.672 176.600 -0.008 0.000 1.048 1187 K CA 1.511 57.804 56.287 0.010 0.000 0.930 1187 K CB 0.016 32.522 32.500 0.011 0.000 0.714 1187 K HN -0.160 nan 8.250 nan 0.000 0.438 1188 K N 0.426 120.821 120.400 -0.008 0.000 2.074 1188 K HA -0.134 4.181 4.320 -0.009 0.000 0.209 1188 K C 1.782 178.366 176.600 -0.027 0.000 1.048 1188 K CA 1.602 57.880 56.287 -0.016 0.000 0.926 1188 K CB -0.378 32.114 32.500 -0.013 0.000 0.713 1188 K HN 0.088 nan 8.250 nan 0.000 0.444 1189 V N 0.334 120.233 119.914 -0.025 0.000 2.270 1189 V HA -0.220 3.895 4.120 -0.009 0.000 0.245 1189 V C 2.240 178.301 176.094 -0.056 0.000 1.043 1189 V CA 2.119 64.396 62.300 -0.039 0.000 1.014 1189 V CB -0.374 31.432 31.823 -0.028 0.000 0.645 1189 V HN 0.302 nan 8.190 nan 0.000 0.447 1190 R N -0.162 120.306 120.500 -0.054 0.000 2.120 1190 R HA -0.100 4.235 4.340 -0.009 0.000 0.234 1190 R C 2.549 178.801 176.300 -0.081 0.000 1.123 1190 R CA 1.452 57.502 56.100 -0.083 0.000 0.975 1190 R CB -0.459 29.784 30.300 -0.094 0.000 0.866 1190 R HN 0.428 nan 8.270 nan 0.000 0.446 1191 S N 0.633 116.297 115.700 -0.059 0.000 2.343 1191 S HA -0.151 4.313 4.470 -0.009 0.000 0.219 1191 S C 2.126 176.690 174.600 -0.060 0.000 1.033 1191 S CA 1.307 59.475 58.200 -0.053 0.000 1.014 1191 S CB -0.346 62.832 63.200 -0.036 0.000 0.915 1191 S HN 0.500 nan 8.310 nan 0.000 0.435 1192 A N 0.945 123.729 122.820 -0.059 0.000 1.986 1192 A HA -0.085 4.230 4.320 -0.009 0.000 0.220 1192 A C 2.135 179.663 177.584 -0.094 0.000 1.171 1192 A CA 1.367 53.362 52.037 -0.070 0.000 0.640 1192 A CB -0.655 18.303 19.000 -0.070 0.000 0.811 1192 A HN 0.483 nan 8.150 nan 0.000 0.451 1193 L N -0.955 120.210 121.223 -0.097 0.000 2.131 1193 L HA -0.090 4.245 4.340 -0.009 0.000 0.206 1193 L C 2.512 179.312 176.870 -0.115 0.000 1.087 1193 L CA 1.775 56.546 54.840 -0.115 0.000 0.767 1193 L CB -0.228 41.763 42.059 -0.115 0.000 0.917 1193 L HN 0.625 nan 8.230 nan 0.000 0.441 1194 E N -0.026 120.111 120.200 -0.105 0.000 2.106 1194 E HA -0.295 4.049 4.350 -0.009 0.000 0.192 1194 E C 2.295 178.844 176.600 -0.085 0.000 0.984 1194 E CA 0.932 57.271 56.400 -0.103 0.000 0.806 1194 E CB 0.010 29.654 29.700 -0.093 0.000 0.750 1194 E HN 0.401 nan 8.360 nan 0.000 0.458 1195 R N 0.310 120.767 120.500 -0.072 0.000 2.090 1195 R HA -0.056 4.279 4.340 -0.009 0.000 0.228 1195 R C 2.241 178.508 176.300 -0.055 0.000 1.110 1195 R CA 0.915 56.983 56.100 -0.054 0.000 0.973 1195 R CB -0.046 30.230 30.300 -0.041 0.000 0.869 1195 R HN 0.221 nan 8.270 nan 0.000 0.440 1196 I N 0.804 121.325 120.570 -0.081 0.000 2.454 1196 I HA -0.196 3.969 4.170 -0.009 0.000 0.254 1196 I C 2.106 178.177 176.117 -0.076 0.000 1.156 1196 I CA 1.020 62.264 61.300 -0.092 0.000 1.433 1196 I CB -0.580 37.321 38.000 -0.166 0.000 1.082 1196 I HN 0.102 nan 8.210 nan 0.000 0.432 1197 V N 0.877 120.738 119.914 -0.089 0.000 2.407 1197 V HA -0.191 3.924 4.120 -0.009 0.000 0.245 1197 V C 2.399 178.448 176.094 -0.076 0.000 1.041 1197 V CA 1.343 63.586 62.300 -0.094 0.000 1.040 1197 V CB -0.557 31.194 31.823 -0.120 0.000 0.671 1197 V HN 0.352 nan 8.190 nan 0.000 0.455 1198 K N 0.146 120.507 120.400 -0.064 0.000 2.152 1198 K HA -0.127 4.188 4.320 -0.009 0.000 0.206 1198 K C 2.016 178.596 176.600 -0.034 0.000 1.048 1198 K CA 1.303 57.561 56.287 -0.048 0.000 0.933 1198 K CB -0.311 32.166 32.500 -0.038 0.000 0.721 1198 K HN 0.379 nan 8.250 nan 0.000 0.447 1199 L N 0.072 121.282 121.223 -0.023 0.000 2.131 1199 L HA -0.122 4.213 4.340 -0.009 0.000 0.210 1199 L C 2.122 178.984 176.870 -0.013 0.000 1.092 1199 L CA 0.893 55.731 54.840 -0.003 0.000 0.759 1199 L CB -0.379 41.698 42.059 0.030 0.000 0.903 1199 L HN 0.158 nan 8.230 nan 0.000 0.435 1200 A N -1.827 120.974 122.820 -0.032 0.000 2.379 1200 A HA 0.011 4.326 4.320 -0.009 0.000 0.236 1200 A C 1.367 178.912 177.584 -0.065 0.000 1.272 1200 A CA 0.228 52.235 52.037 -0.050 0.000 0.886 1200 A CB -0.108 18.853 19.000 -0.065 0.000 0.962 1200 A HN 0.208 nan 8.150 nan 0.000 0.504 1201 D N -0.375 119.991 120.400 -0.056 0.000 2.463 1201 D HA 0.059 4.694 4.640 -0.009 0.000 0.237 1201 D C 1.730 178.006 176.300 -0.039 0.000 1.013 1201 D CA 0.771 54.736 54.000 -0.058 0.000 0.910 1201 D CB 0.286 41.050 40.800 -0.060 0.000 1.080 1201 D HN 0.396 nan 8.370 nan 0.000 0.498 1202 K N 0.651 121.033 120.400 -0.029 0.000 1.991 1202 K HA 0.024 4.339 4.320 -0.009 0.000 0.208 1202 K C 1.419 178.008 176.600 -0.018 0.000 1.038 1202 K CA 0.782 57.058 56.287 -0.019 0.000 0.943 1202 K CB -0.180 32.311 32.500 -0.015 0.000 0.736 1202 K HN -0.047 nan 8.250 nan 0.000 0.440 1203 V N 1.026 120.930 119.914 -0.017 0.000 3.070 1203 V HA 0.115 4.230 4.120 -0.009 0.000 0.359 1203 V C 0.683 176.764 176.094 -0.021 0.000 1.438 1203 V CA 0.667 62.958 62.300 -0.015 0.000 1.571 1203 V CB -0.907 30.910 31.823 -0.010 0.000 1.246 1203 V HN 0.323 nan 8.190 nan 0.000 0.463 1204 I N 0.485 121.040 120.570 -0.025 0.000 3.186 1204 I HA 0.198 4.363 4.170 -0.009 0.000 0.317 1204 I C 0.644 176.746 176.117 -0.024 0.000 1.476 1204 I CA -0.267 61.014 61.300 -0.033 0.000 0.868 1204 I CB 0.424 38.392 38.000 -0.054 0.000 1.732 1204 I HN 0.578 nan 8.210 nan 0.000 0.659 1205 Q N 2.511 122.303 119.800 -0.014 0.000 3.042 1205 Q HA -0.185 4.149 4.340 -0.009 0.000 0.358 1205 Q C 1.645 177.653 176.000 0.013 0.000 1.064 1205 Q CA 0.887 56.689 55.803 -0.003 0.000 1.188 1205 Q CB 0.601 29.336 28.738 -0.005 0.000 0.967 1205 Q HN 0.488 nan 8.270 nan 0.000 0.414 1206 E N 2.900 123.122 120.200 0.036 0.000 2.150 1206 E HA -0.217 4.128 4.350 -0.009 0.000 0.193 1206 E C 1.370 178.031 176.600 0.101 0.000 0.985 1206 E CA 1.801 58.263 56.400 0.103 0.000 0.814 1206 E CB -0.135 29.669 29.700 0.173 0.000 0.752 1206 E HN 0.776 nan 8.360 nan 0.000 0.466 1207 T N 0.579 115.160 114.554 0.045 0.000 2.624 1207 T HA -0.219 4.126 4.350 -0.009 0.000 0.268 1207 T C 1.612 176.303 174.700 -0.014 0.000 1.041 1207 T CA 2.185 64.290 62.100 0.008 0.000 1.159 1207 T CB -0.434 68.427 68.868 -0.011 0.000 0.863 1207 T HN 0.158 nan 8.240 nan 0.000 0.434 1208 D N -0.342 120.049 120.400 -0.015 0.000 2.194 1208 D HA 0.032 4.667 4.640 -0.009 0.000 0.204 1208 D C 2.304 178.597 176.300 -0.012 0.000 0.964 1208 D CA 0.969 54.948 54.000 -0.035 0.000 0.846 1208 D CB -0.496 40.284 40.800 -0.034 0.000 0.962 1208 D HN 0.430 nan 8.370 nan 0.000 0.490 1209 S N -0.209 115.510 115.700 0.030 0.000 2.465 1209 S HA -0.177 4.287 4.470 -0.009 0.000 0.241 1209 S C 1.172 175.846 174.600 0.123 0.000 1.000 1209 S CA 0.728 58.969 58.200 0.070 0.000 0.964 1209 S CB -0.185 63.067 63.200 0.085 0.000 0.763 1209 S HN 0.237 nan 8.310 nan 0.000 0.512 1210 E N -0.283 119.970 120.200 0.088 0.000 2.411 1210 E HA 0.483 4.827 4.350 -0.009 0.000 0.228 1210 E C 0.287 176.886 176.600 -0.000 0.000 1.169 1210 E CA -0.009 56.425 56.400 0.056 0.000 1.421 1210 E CB 0.032 29.712 29.700 -0.033 0.000 1.333 1210 E HN 0.502 nan 8.360 nan 0.000 0.434 1211 A N 0.752 123.563 122.820 -0.015 0.000 2.551 1211 A HA 0.216 4.530 4.320 -0.009 0.000 0.252 1211 A C 0.935 178.532 177.584 0.022 0.000 1.199 1211 A CA -0.314 51.665 52.037 -0.096 0.000 0.972 1211 A CB 0.297 19.175 19.000 -0.202 0.000 1.153 1211 A HN 0.454 nan 8.150 nan 0.000 0.559 1212 L N -1.430 119.818 121.223 0.041 0.000 2.694 1212 L HA 0.286 4.621 4.340 -0.009 0.000 0.228 1212 L C 1.356 178.260 176.870 0.057 0.000 1.048 1212 L CA 0.262 55.084 54.840 -0.029 0.000 0.887 1212 L CB 0.052 42.061 42.059 -0.084 0.000 1.265 1212 L HN 0.146 nan 8.230 nan 0.000 0.492 1213 L N 0.034 121.349 121.223 0.153 0.000 1.961 1213 L HA -0.062 4.272 4.340 -0.009 0.000 0.209 1213 L C 2.473 179.484 176.870 0.236 0.000 1.075 1213 L CA 2.030 57.011 54.840 0.233 0.000 0.749 1213 L CB -1.656 40.524 42.059 0.202 0.000 0.890 1213 L HN 0.240 nan 8.230 nan 0.000 0.433 1214 S N -2.094 113.700 115.700 0.157 0.000 2.425 1214 S HA -0.056 4.408 4.470 -0.009 0.000 0.225 1214 S C 1.391 176.035 174.600 0.074 0.000 1.024 1214 S CA 0.297 58.550 58.200 0.089 0.000 0.951 1214 S CB -0.232 62.979 63.200 0.019 0.000 0.796 1214 S HN 0.308 nan 8.310 nan 0.000 0.498 1215 Y N 0.956 121.280 120.300 0.040 0.000 2.581 1215 Y HA 0.199 4.744 4.550 -0.009 0.000 0.346 1215 Y C 1.221 177.149 175.900 0.046 0.000 1.147 1215 Y CA -0.453 57.663 58.100 0.027 0.000 1.353 1215 Y CB -0.613 37.841 38.460 -0.010 0.000 1.187 1215 Y HN 0.272 nan 8.280 nan 0.000 0.505 1216 Y N -0.197 120.146 120.300 0.072 0.000 2.113 1216 Y HA -0.073 4.472 4.550 -0.009 0.000 0.269 1216 Y C 2.394 178.313 175.900 0.031 0.000 1.098 1216 Y CA 1.882 60.012 58.100 0.051 0.000 1.083 1216 Y CB -0.584 37.893 38.460 0.028 0.000 0.997 1216 Y HN 0.321 nan 8.280 nan 0.000 0.476 1217 G N 0.385 109.357 108.800 0.286 0.000 4.230 1217 G HA2 -0.400 3.555 3.960 -0.009 0.000 0.340 1217 G HA3 -0.400 3.555 3.960 -0.009 0.000 0.340 1217 G C 0.026 175.037 174.900 0.184 0.000 1.315 1217 G CA 0.540 45.730 45.100 0.150 0.000 1.033 1217 G HN 0.430 nan 8.290 nan 0.000 0.741 1218 L N 2.189 123.505 121.223 0.155 0.000 2.742 1218 L HA 0.165 4.500 4.340 -0.009 0.000 0.275 1218 L C 1.127 178.136 176.870 0.233 0.000 1.141 1218 L CA 0.115 55.035 54.840 0.132 0.000 0.987 1218 L CB 0.085 42.186 42.059 0.071 0.000 1.319 1218 L HN 0.461 nan 8.230 nan 0.000 0.478 1219 K N 5.173 125.692 120.400 0.198 0.000 2.472 1219 K HA -0.075 4.239 4.320 -0.009 0.000 0.280 1219 K C 0.584 177.328 176.600 0.240 0.000 1.028 1219 K CA 0.325 56.745 56.287 0.222 0.000 1.045 1219 K CB -0.011 32.538 32.500 0.081 0.000 0.902 1219 K HN 0.682 nan 8.250 nan 0.000 0.478 1220 N N 3.692 122.627 118.700 0.391 0.000 2.725 1220 N HA -0.210 4.524 4.740 -0.009 0.000 0.249 1220 N C -1.164 174.410 175.510 0.107 0.000 1.103 1220 N CA 0.839 54.028 53.050 0.233 0.000 0.707 1220 N CB -1.001 37.564 38.487 0.130 0.000 1.043 1220 N HN 1.003 nan 8.380 nan 0.000 0.553 1221 D N -0.736 119.699 120.400 0.058 0.000 2.980 1221 D HA -0.278 4.357 4.640 -0.009 0.000 0.218 1221 D C 0.606 176.914 176.300 0.014 0.000 1.225 1221 D CA 1.650 55.637 54.000 -0.022 0.000 0.804 1221 D CB -1.915 38.825 40.800 -0.099 0.000 0.906 1221 D HN 0.754 nan 8.370 nan 0.000 0.396 1222 T N -4.424 110.151 114.554 0.036 0.000 5.060 1222 T HA -0.376 3.968 4.350 -0.009 0.000 0.309 1222 T C 1.273 175.991 174.700 0.030 0.000 1.248 1222 T CA 3.016 65.135 62.100 0.030 0.000 2.322 1222 T CB -2.567 66.311 68.868 0.018 0.000 1.982 1222 T HN 2.368 nan 8.240 nan 0.000 0.955 1223 R N -2.075 118.449 120.500 0.040 0.000 3.416 1223 R HA -0.009 4.326 4.340 -0.009 0.000 0.263 1223 R C 1.894 178.209 176.300 0.024 0.000 1.053 1223 R CA 2.259 58.381 56.100 0.037 0.000 0.705 1223 R CB -2.848 27.473 30.300 0.035 0.000 1.124 1223 R HN 2.434 nan 8.270 nan 0.000 0.444 1224 A N 0.024 122.855 122.820 0.017 0.000 2.125 1224 A HA 0.188 4.503 4.320 -0.009 0.000 0.219 1224 A C 1.588 179.179 177.584 0.012 0.000 1.156 1224 A CA 1.335 53.378 52.037 0.011 0.000 0.671 1224 A CB 0.015 19.017 19.000 0.003 0.000 0.794 1224 A HN 1.566 nan 8.150 nan 0.000 0.459 1225 D N -3.357 117.053 120.400 0.017 0.000 2.955 1225 D HA -0.235 4.400 4.640 -0.009 0.000 0.226 1225 D C 0.753 177.061 176.300 0.013 0.000 1.178 1225 D CA 1.250 55.261 54.000 0.018 0.000 0.808 1225 D CB -1.183 39.627 40.800 0.018 0.000 1.099 1225 D HN 0.619 nan 8.370 nan 0.000 0.421 1226 A N -1.094 121.731 122.820 0.009 0.000 2.226 1226 A HA 0.657 4.972 4.320 -0.009 0.000 0.207 1226 A C 1.729 179.315 177.584 0.003 0.000 1.293 1226 A CA 0.924 52.965 52.037 0.006 0.000 0.968 1226 A CB 0.527 19.529 19.000 0.003 0.000 1.044 1226 A HN 0.541 nan 8.150 nan 0.000 0.493 1227 A N -1.061 121.759 122.820 -0.000 0.000 2.585 1227 A HA 0.515 4.830 4.320 -0.009 0.000 0.266 1227 A C 1.480 179.063 177.584 -0.002 0.000 1.178 1227 A CA 0.981 53.013 52.037 -0.008 0.000 0.966 1227 A CB -0.438 18.548 19.000 -0.024 0.000 1.170 1227 A HN 0.456 nan 8.150 nan 0.000 0.558 1228 K N 0.371 120.780 120.400 0.014 0.000 2.643 1228 K HA 0.252 4.567 4.320 -0.009 0.000 0.193 1228 K C 0.381 177.008 176.600 0.046 0.000 1.027 1228 K CA 0.641 56.950 56.287 0.037 0.000 1.033 1228 K CB -0.727 31.798 32.500 0.042 0.000 0.827 1228 K HN 0.412 nan 8.250 nan 0.000 0.500 1229 I N 1.851 122.440 120.570 0.031 0.000 2.291 1229 I HA 0.163 4.327 4.170 -0.009 0.000 0.292 1229 I C 0.921 177.063 176.117 0.041 0.000 1.064 1229 I CA -0.180 61.140 61.300 0.034 0.000 1.269 1229 I CB 1.134 39.148 38.000 0.023 0.000 1.418 1229 I HN 0.262 nan 8.210 nan 0.000 0.485 1230 K N 2.782 123.220 120.400 0.062 0.000 2.288 1230 K HA -0.073 4.242 4.320 -0.009 0.000 0.201 1230 K C 1.589 178.217 176.600 0.047 0.000 1.048 1230 K CA 0.870 57.201 56.287 0.074 0.000 0.956 1230 K CB 0.293 32.856 32.500 0.104 0.000 0.746 1230 K HN 0.568 nan 8.250 nan 0.000 0.461 1231 T N 1.283 115.858 114.554 0.036 0.000 2.685 1231 T HA -0.198 4.146 4.350 -0.009 0.000 0.268 1231 T C 1.033 175.743 174.700 0.016 0.000 1.034 1231 T CA 1.151 63.265 62.100 0.024 0.000 1.149 1231 T CB -0.330 68.551 68.868 0.021 0.000 0.860 1231 T HN 0.392 nan 8.240 nan 0.000 0.449 1235 K N 1.184 121.578 120.400 -0.011 0.000 2.044 1235 K HA 0.073 4.388 4.320 -0.009 0.000 0.204 1235 K C 1.717 178.283 176.600 -0.057 0.000 1.049 1235 K CA 1.001 57.269 56.287 -0.032 0.000 0.945 1235 K CB 0.091 32.577 32.500 -0.023 0.000 0.724 1235 K HN 0.223 nan 8.250 nan 0.000 0.440 1236 Q N 0.498 120.269 119.800 -0.049 0.000 2.226 1236 Q HA -0.188 4.147 4.340 -0.009 0.000 0.204 1236 Q C 1.953 177.886 176.000 -0.111 0.000 0.975 1236 Q CA 1.734 57.496 55.803 -0.068 0.000 0.866 1236 Q CB -0.019 28.693 28.738 -0.043 0.000 0.915 1236 Q HN 0.379 nan 8.270 nan 0.000 0.440 1237 K N -0.187 120.146 120.400 -0.112 0.000 2.099 1237 K HA 0.008 4.322 4.320 -0.009 0.000 0.203 1237 K C 1.536 178.005 176.600 -0.219 0.000 1.047 1237 K CA 0.924 57.082 56.287 -0.214 0.000 0.963 1237 K CB -0.032 32.385 32.500 -0.139 0.000 0.759 1237 K HN -0.080 nan 8.250 nan 0.000 0.451 1238 N N 0.670 119.295 118.700 -0.125 0.000 2.348 1238 N HA -0.094 4.640 4.740 -0.009 0.000 0.185 1238 N C 1.253 176.690 175.510 -0.121 0.000 1.019 1238 N CA 1.660 54.647 53.050 -0.105 0.000 0.880 1238 N CB -0.366 38.084 38.487 -0.061 0.000 0.965 1238 N HN 0.362 nan 8.380 nan 0.000 0.437 1239 T N 0.586 115.061 114.554 -0.132 0.000 2.937 1239 T HA 0.023 4.367 4.350 -0.009 0.000 0.260 1239 T C 1.837 176.440 174.700 -0.163 0.000 1.051 1239 T CA 0.091 62.110 62.100 -0.135 0.000 1.141 1239 T CB -0.125 68.666 68.868 -0.128 0.000 0.879 1239 T HN 0.051 nan 8.240 nan 0.000 0.459 1240 L N 2.589 123.687 121.223 -0.209 0.000 1.976 1240 L HA -0.030 4.305 4.340 -0.009 0.000 0.209 1240 L C 2.195 178.903 176.870 -0.271 0.000 1.071 1240 L CA 1.663 56.348 54.840 -0.258 0.000 0.746 1240 L CB -1.047 40.789 42.059 -0.373 0.000 0.890 1240 L HN 0.384 nan 8.230 nan 0.000 0.432 1241 I N -1.468 118.915 120.570 -0.313 0.000 2.185 1241 I HA -0.298 3.867 4.170 -0.009 0.000 0.246 1241 I C 2.346 178.361 176.117 -0.170 0.000 1.088 1241 I CA 2.206 63.364 61.300 -0.238 0.000 1.347 1241 I CB -1.300 36.589 38.000 -0.185 0.000 1.041 1241 I HN 0.498 nan 8.210 nan 0.000 0.415 1242 E N 1.109 121.219 120.200 -0.150 0.000 2.106 1242 E HA -0.177 4.168 4.350 -0.009 0.000 0.192 1242 E C 2.233 178.745 176.600 -0.147 0.000 0.984 1242 E CA 1.126 57.451 56.400 -0.125 0.000 0.806 1242 E CB -0.156 29.481 29.700 -0.105 0.000 0.750 1242 E HN 0.653 nan 8.360 nan 0.000 0.458 1243 A N 1.209 123.934 122.820 -0.158 0.000 1.845 1243 A HA -0.164 4.151 4.320 -0.009 0.000 0.215 1243 A C 2.204 179.669 177.584 -0.197 0.000 1.195 1243 A CA 1.279 53.220 52.037 -0.159 0.000 0.616 1243 A CB -0.860 18.054 19.000 -0.142 0.000 0.832 1243 A HN 0.299 nan 8.150 nan 0.000 0.443 1244 L N -0.494 120.601 121.223 -0.214 0.000 2.013 1244 L HA -0.228 4.106 4.340 -0.009 0.000 0.212 1244 L C 2.954 179.554 176.870 -0.450 0.000 1.073 1244 L CA 1.715 56.389 54.840 -0.276 0.000 0.753 1244 L CB -0.655 41.276 42.059 -0.214 0.000 0.890 1244 L HN 0.544 nan 8.230 nan 0.000 0.432 1245 S N -0.198 115.288 115.700 -0.356 0.000 2.359 1245 S HA -0.209 4.255 4.470 -0.009 0.000 0.222 1245 S C 2.111 176.504 174.600 -0.345 0.000 1.038 1245 S CA 1.460 59.446 58.200 -0.357 0.000 1.051 1245 S CB -0.053 63.076 63.200 -0.119 0.000 0.944 1245 S HN 0.244 nan 8.310 nan 0.000 0.433 1246 K N 1.304 121.566 120.400 -0.229 0.000 2.147 1246 K HA -0.048 4.267 4.320 -0.009 0.000 0.205 1246 K C 2.179 178.638 176.600 -0.234 0.000 1.049 1246 K CA 1.124 57.297 56.287 -0.189 0.000 0.936 1246 K CB -0.472 31.940 32.500 -0.147 0.000 0.722 1246 K HN 0.535 nan 8.250 nan 0.000 0.446 1247 K N 0.319 120.554 120.400 -0.275 0.000 2.001 1247 K HA -0.106 4.208 4.320 -0.009 0.000 0.208 1247 K C 2.149 178.579 176.600 -0.283 0.000 1.048 1247 K CA 1.611 57.748 56.287 -0.250 0.000 0.932 1247 K CB -0.439 31.929 32.500 -0.220 0.000 0.715 1247 K HN 0.124 nan 8.250 nan 0.000 0.437 1248 G N 2.067 110.593 108.800 -0.456 0.000 2.514 1248 G HA2 -0.316 3.638 3.960 -0.009 0.000 0.217 1248 G HA3 -0.316 3.638 3.960 -0.009 0.000 0.217 1248 G C 1.504 176.349 174.900 -0.091 0.000 1.198 1248 G CA 1.088 46.001 45.100 -0.311 0.000 0.780 1248 G HN 0.494 nan 8.290 nan 0.000 0.565 1249 I N 0.931 121.431 120.570 -0.117 0.000 2.657 1249 I HA -0.084 4.080 4.170 -0.009 0.000 0.261 1249 I C 2.625 178.372 176.117 -0.618 0.000 1.212 1249 I CA 1.345 62.414 61.300 -0.385 0.000 1.453 1249 I CB 0.019 37.951 38.000 -0.114 0.000 1.092 1249 I HN 0.223 nan 8.210 nan 0.000 0.452 1250 A N -0.272 122.317 122.820 -0.384 0.000 1.911 1250 A HA -0.026 4.289 4.320 -0.009 0.000 0.212 1250 A C 2.177 179.577 177.584 -0.307 0.000 1.189 1250 A CA 0.977 52.809 52.037 -0.341 0.000 0.639 1250 A CB -0.703 18.159 19.000 -0.229 0.000 0.839 1250 A HN 0.293 nan 8.150 nan 0.000 0.449 1251 V N -0.291 119.483 119.914 -0.232 0.000 3.510 1251 V HA 0.128 4.243 4.120 -0.009 0.000 0.270 1251 V C 2.167 178.162 176.094 -0.164 0.000 1.201 1251 V CA 1.407 63.615 62.300 -0.153 0.000 1.166 1251 V CB -0.134 31.640 31.823 -0.082 0.000 0.825 1251 V HN 0.551 nan 8.190 nan 0.000 0.484 1252 A N -0.725 121.904 122.820 -0.318 0.000 1.956 1252 A HA 0.073 4.388 4.320 -0.009 0.000 0.212 1252 A C 2.186 179.449 177.584 -0.535 0.000 1.188 1252 A CA 0.690 52.513 52.037 -0.357 0.000 0.675 1252 A CB -0.176 18.560 19.000 -0.441 0.000 0.845 1252 A HN 0.470 nan 8.150 nan 0.000 0.455 1253 K N -0.413 119.498 120.400 -0.815 0.000 2.057 1253 K HA -0.054 4.261 4.320 -0.009 0.000 0.206 1253 K C 1.671 178.187 176.600 -0.140 0.000 1.050 1253 K CA 1.008 56.908 56.287 -0.645 0.000 0.935 1253 K CB -0.305 31.691 32.500 -0.841 0.000 0.715 1253 K HN 0.265 nan 8.250 nan 0.000 0.439 1254 L N 1.144 122.280 121.223 -0.146 0.000 2.012 1254 L HA -0.167 4.168 4.340 -0.009 0.000 0.210 1254 L C 2.410 179.284 176.870 0.007 0.000 1.073 1254 L CA 1.766 56.582 54.840 -0.040 0.000 0.748 1254 L CB -1.132 40.891 42.059 -0.060 0.000 0.891 1254 L HN 0.146 nan 8.230 nan 0.000 0.431 1255 A N -1.208 121.608 122.820 -0.006 0.000 1.940 1255 A HA -0.181 4.134 4.320 -0.009 0.000 0.219 1255 A C 2.388 180.035 177.584 0.104 0.000 1.176 1255 A CA 2.025 54.089 52.037 0.045 0.000 0.631 1255 A CB -0.912 18.120 19.000 0.053 0.000 0.814 1255 A HN 0.249 nan 8.150 nan 0.000 0.446 1256 V N -0.048 119.956 119.914 0.150 0.000 2.427 1256 V HA -0.216 3.899 4.120 -0.009 0.000 0.248 1256 V C 2.513 178.716 176.094 0.181 0.000 1.051 1256 V CA 1.747 64.189 62.300 0.238 0.000 1.048 1256 V CB -0.673 31.388 31.823 0.395 0.000 0.666 1256 V HN 0.567 nan 8.190 nan 0.000 0.456 1257 L N -0.124 121.195 121.223 0.160 0.000 2.093 1257 L HA -0.150 4.185 4.340 -0.009 0.000 0.208 1257 L C 2.050 178.960 176.870 0.067 0.000 1.085 1257 L CA 1.455 56.357 54.840 0.104 0.000 0.755 1257 L CB -0.566 41.549 42.059 0.094 0.000 0.904 1257 L HN 0.370 nan 8.230 nan 0.000 0.435 1258 D N -1.088 119.350 120.400 0.063 0.000 2.348 1258 D HA -0.065 4.569 4.640 -0.009 0.000 0.211 1258 D C 0.163 176.495 176.300 0.053 0.000 0.998 1258 D CA 0.399 54.426 54.000 0.046 0.000 0.873 1258 D CB -0.127 40.693 40.800 0.034 0.000 0.925 1258 D HN 0.145 nan 8.370 nan 0.000 0.524 1259 D N 0.249 120.694 120.400 0.076 0.000 3.357 1259 D HA -0.219 4.416 4.640 -0.009 0.000 0.238 1259 D C 0.068 176.406 176.300 0.063 0.000 1.126 1259 D CA 0.597 54.646 54.000 0.081 0.000 0.984 1259 D CB -1.326 39.513 40.800 0.065 0.000 0.925 1259 D HN 0.369 nan 8.370 nan 0.000 0.414 1260 C N 1.453 120.794 119.300 0.069 0.000 4.071 1260 C HA 0.232 4.687 4.460 -0.009 0.000 0.368 1260 C C 2.239 177.256 174.990 0.045 0.000 2.996 1260 C CA -0.063 58.982 59.018 0.045 0.000 1.584 1260 C CB -1.837 25.923 27.740 0.033 0.000 2.697 1260 C HN 0.583 nan 8.230 nan 0.000 0.318 1261 I N 0.777 121.391 120.570 0.072 0.000 2.462 1261 I HA -0.170 3.995 4.170 -0.009 0.000 0.259 1261 I C 2.119 178.239 176.117 0.005 0.000 1.156 1261 I CA 2.305 63.646 61.300 0.068 0.000 1.417 1261 I CB -0.416 37.657 38.000 0.123 0.000 1.088 1261 I HN 0.548 nan 8.210 nan 0.000 0.442 1262 K N 1.481 121.878 120.400 -0.006 0.000 1.991 1262 K HA -0.152 4.162 4.320 -0.009 0.000 0.207 1262 K C 1.210 177.795 176.600 -0.024 0.000 1.045 1262 K CA 1.611 57.878 56.287 -0.033 0.000 0.937 1262 K CB -0.226 32.259 32.500 -0.025 0.000 0.720 1262 K HN 0.637 nan 8.250 nan 0.000 0.438 1263 D N -0.163 120.233 120.400 -0.006 0.000 2.400 1263 D HA -0.005 4.630 4.640 -0.009 0.000 0.243 1263 D C 0.303 176.606 176.300 0.006 0.000 1.184 1263 D CA 0.191 54.190 54.000 -0.001 0.000 0.853 1263 D CB 0.820 41.623 40.800 0.004 0.000 0.944 1263 D HN -0.029 nan 8.370 nan 0.000 0.501 1264 S N -0.577 115.127 115.700 0.007 0.000 2.744 1264 S HA 0.131 4.595 4.470 -0.009 0.000 0.265 1264 S C 1.465 176.078 174.600 0.021 0.000 1.065 1264 S CA -0.508 57.702 58.200 0.017 0.000 1.191 1264 S CB 0.522 63.736 63.200 0.023 0.000 1.150 1264 S HN 0.171 nan 8.310 nan 0.000 0.646 1265 L N 1.907 123.126 121.223 -0.007 0.000 2.189 1265 L HA -0.183 4.152 4.340 -0.009 0.000 0.214 1265 L C 2.513 179.392 176.870 0.016 0.000 1.097 1265 L CA 1.498 56.318 54.840 -0.034 0.000 0.764 1265 L CB -0.466 41.509 42.059 -0.139 0.000 0.900 1265 L HN 0.437 nan 8.230 nan 0.000 0.436 1266 A N -0.288 122.547 122.820 0.025 0.000 1.873 1266 A HA -0.319 3.996 4.320 -0.009 0.000 0.218 1266 A C 2.187 179.827 177.584 0.094 0.000 1.193 1266 A CA 2.130 54.201 52.037 0.056 0.000 0.629 1266 A CB -0.636 18.388 19.000 0.041 0.000 0.826 1266 A HN 0.558 nan 8.150 nan 0.000 0.447 1267 E N -0.314 119.936 120.200 0.084 0.000 2.031 1267 E HA -0.178 4.167 4.350 -0.009 0.000 0.193 1267 E C 1.932 178.634 176.600 0.170 0.000 0.994 1267 E CA 1.340 57.801 56.400 0.102 0.000 0.800 1267 E CB -0.271 29.469 29.700 0.068 0.000 0.752 1267 E HN 0.636 nan 8.360 nan 0.000 0.447 1268 I N 1.340 122.025 120.570 0.192 0.000 2.300 1268 I HA -0.369 3.796 4.170 -0.009 0.000 0.252 1268 I C 2.036 178.410 176.117 0.429 0.000 1.119 1268 I CA 1.438 62.931 61.300 0.322 0.000 1.384 1268 I CB -0.517 37.629 38.000 0.244 0.000 1.062 1268 I HN 0.254 nan 8.210 nan 0.000 0.426 1269 N N 0.568 119.471 118.700 0.337 0.000 2.092 1269 N HA -0.203 4.531 4.740 -0.009 0.000 0.189 1269 N C 1.791 177.501 175.510 0.332 0.000 1.040 1269 N CA 1.270 54.562 53.050 0.403 0.000 0.845 1269 N CB -0.187 38.498 38.487 0.330 0.000 1.017 1269 N HN 0.490 nan 8.380 nan 0.000 0.426 1270 E N 1.155 121.491 120.200 0.227 0.000 2.267 1270 E HA -0.204 4.141 4.350 -0.009 0.000 0.197 1270 E C 1.834 178.539 176.600 0.175 0.000 0.998 1270 E CA 0.908 57.407 56.400 0.165 0.000 0.830 1270 E CB -0.111 29.657 29.700 0.113 0.000 0.751 1270 E HN 0.246 nan 8.360 nan 0.000 0.491 1271 L N 0.009 121.375 121.223 0.238 0.000 2.127 1271 L HA -0.042 4.292 4.340 -0.009 0.000 0.203 1271 L C 2.362 179.439 176.870 0.345 0.000 1.080 1271 L CA 1.422 56.398 54.840 0.227 0.000 0.768 1271 L CB -0.653 41.536 42.059 0.218 0.000 0.924 1271 L HN 0.190 nan 8.230 nan 0.000 0.444 1272 Y N -0.397 120.143 120.300 0.399 0.000 2.293 1272 Y HA -0.172 4.372 4.550 -0.009 0.000 0.291 1272 Y C 2.104 178.082 175.900 0.130 0.000 1.137 1272 Y CA 1.946 60.263 58.100 0.362 0.000 1.202 1272 Y CB -0.337 38.112 38.460 -0.018 0.000 0.990 1272 Y HN 0.154 nan 8.280 nan 0.000 0.537 1273 T N -0.395 114.241 114.554 0.135 0.000 3.085 1273 T HA -0.092 4.252 4.350 -0.009 0.000 0.263 1273 T C 1.507 176.191 174.700 -0.027 0.000 1.127 1273 T CA 1.226 63.330 62.100 0.007 0.000 1.103 1273 T CB -0.060 68.861 68.868 0.088 0.000 0.921 1273 T HN 0.481 nan 8.240 nan 0.000 0.510 1274 E N 0.404 120.625 120.200 0.037 0.000 2.276 1274 E HA 0.125 4.470 4.350 -0.009 0.000 0.193 1274 E C 1.904 178.592 176.600 0.147 0.000 0.983 1274 E CA 0.138 56.579 56.400 0.068 0.000 0.861 1274 E CB 0.042 29.799 29.700 0.094 0.000 0.817 1274 E HN 0.419 nan 8.360 nan 0.000 0.485 1275 I N 0.769 121.392 120.570 0.088 0.000 2.233 1275 I HA -0.197 3.968 4.170 -0.009 0.000 0.243 1275 I C 2.412 178.595 176.117 0.109 0.000 1.093 1275 I CA 0.465 61.843 61.300 0.130 0.000 1.380 1275 I CB -0.164 37.865 38.000 0.048 0.000 1.067 1275 I HN 0.247 nan 8.210 nan 0.000 0.413 1276 I N 1.553 122.049 120.570 -0.124 0.000 2.399 1276 I HA -0.297 3.868 4.170 -0.009 0.000 0.254 1276 I C 2.223 178.282 176.117 -0.097 0.000 1.146 1276 I CA 1.701 62.910 61.300 -0.152 0.000 1.412 1276 I CB -0.515 37.316 38.000 -0.282 0.000 1.076 1276 I HN 0.088 nan 8.210 nan 0.000 0.432 1277 K N -0.370 119.943 120.400 -0.145 0.000 2.286 1277 K HA -0.154 4.161 4.320 -0.009 0.000 0.203 1277 K C 0.742 177.042 176.600 -0.500 0.000 1.045 1277 K CA 1.141 57.222 56.287 -0.343 0.000 0.935 1277 K CB -0.214 32.000 32.500 -0.476 0.000 0.737 1277 K HN 0.304 nan 8.250 nan 0.000 0.460 1278 F N -0.174 119.751 119.950 -0.043 0.000 2.861 1278 F HA 0.167 4.688 4.527 -0.009 0.000 0.222 1278 F C 0.830 176.616 175.800 -0.024 0.000 1.320 1278 F CA -1.173 56.813 58.000 -0.023 0.000 0.960 1278 F CB -0.348 38.637 39.000 -0.024 0.000 2.058 1278 F HN -0.454 nan 8.300 nan 0.000 0.528 1279 V N 2.533 122.583 119.914 0.226 0.000 2.599 1279 V HA -0.003 4.111 4.120 -0.009 0.000 0.300 1279 V C -0.206 175.930 176.094 0.070 0.000 1.034 1279 V CA -0.440 61.924 62.300 0.107 0.000 1.115 1279 V CB -0.459 31.410 31.823 0.078 0.000 0.934 1279 V HN 0.574 nan 8.190 nan 0.000 0.485 1280 D N 4.822 125.253 120.400 0.050 0.000 2.364 1280 D HA 0.052 4.687 4.640 -0.009 0.000 0.236 1280 D C 1.123 177.447 176.300 0.039 0.000 1.221 1280 D CA 0.238 54.261 54.000 0.039 0.000 0.891 1280 D CB 1.053 41.888 40.800 0.059 0.000 1.190 1280 D HN 0.500 nan 8.370 nan 0.000 0.449 1281 A N 1.486 124.331 122.820 0.041 0.000 2.070 1281 A HA -0.208 4.107 4.320 -0.009 0.000 0.220 1281 A C 1.622 179.221 177.584 0.025 0.000 1.159 1281 A CA 0.942 53.001 52.037 0.036 0.000 0.656 1281 A CB -0.616 18.445 19.000 0.101 0.000 0.800 1281 A HN 0.681 nan 8.150 nan 0.000 0.453 1282 N N 0.348 119.100 118.700 0.088 0.000 2.461 1282 N HA -0.045 4.689 4.740 -0.009 0.000 0.188 1282 N C -0.131 175.409 175.510 0.050 0.000 1.134 1282 N CA 0.173 53.278 53.050 0.093 0.000 0.878 1282 N CB 0.146 38.719 38.487 0.143 0.000 0.972 1282 N HN 0.514 nan 8.380 nan 0.000 0.456 1283 D N 0.607 121.030 120.400 0.038 0.000 2.341 1283 D HA 0.105 4.739 4.640 -0.009 0.000 0.245 1283 D C 0.736 177.048 176.300 0.020 0.000 1.106 1283 D CA -0.057 53.961 54.000 0.030 0.000 0.905 1283 D CB 1.410 42.228 40.800 0.030 0.000 1.202 1283 D HN -0.084 nan 8.370 nan 0.000 0.426 1284 S N 2.803 118.515 115.700 0.020 0.000 2.400 1284 S HA -0.293 4.172 4.470 -0.009 0.000 0.234 1284 S C 2.148 176.757 174.600 0.015 0.000 1.049 1284 S CA 2.143 60.354 58.200 0.019 0.000 1.039 1284 S CB -0.394 62.818 63.200 0.019 0.000 0.856 1284 S HN 0.740 nan 8.310 nan 0.000 0.465 1285 K N 0.696 121.102 120.400 0.010 0.000 2.063 1285 K HA 0.170 4.485 4.320 -0.009 0.000 0.208 1285 K C 1.924 178.532 176.600 0.013 0.000 1.048 1285 K CA 1.808 58.095 56.287 0.000 0.000 0.928 1285 K CB -0.927 31.567 32.500 -0.010 0.000 0.713 1285 K HN 0.570 nan 8.250 nan 0.000 0.442 1286 A N -1.129 121.711 122.820 0.032 0.000 2.551 1286 A HA 0.391 4.706 4.320 -0.009 0.000 0.252 1286 A C 1.740 179.358 177.584 0.056 0.000 1.199 1286 A CA 0.187 52.274 52.037 0.083 0.000 0.972 1286 A CB 0.365 19.427 19.000 0.102 0.000 1.153 1286 A HN 0.279 nan 8.150 nan 0.000 0.559 1287 I N 1.486 122.052 120.570 -0.008 0.000 2.229 1287 I HA -0.293 3.872 4.170 -0.009 0.000 0.250 1287 I C 1.976 177.992 176.117 -0.170 0.000 1.096 1287 I CA 2.525 63.764 61.300 -0.102 0.000 1.358 1287 I CB -0.428 37.548 38.000 -0.040 0.000 1.047 1287 I HN 0.738 nan 8.210 nan 0.000 0.422 1288 Q N -1.685 118.099 119.800 -0.027 0.000 2.188 1288 Q HA -0.015 4.320 4.340 -0.009 0.000 0.212 1288 Q C 1.515 177.635 176.000 0.199 0.000 0.846 1288 Q CA -0.111 55.696 55.803 0.006 0.000 0.989 1288 Q CB -0.421 28.332 28.738 0.026 0.000 1.114 1288 Q HN 0.366 nan 8.270 nan 0.000 0.488 1289 F N 1.272 121.259 119.950 0.061 0.000 2.473 1289 F HA 0.393 4.914 4.527 -0.009 0.000 0.294 1289 F C 1.947 177.850 175.800 0.172 0.000 1.103 1289 F CA 0.493 58.591 58.000 0.163 0.000 1.442 1289 F CB -0.124 38.942 39.000 0.110 0.000 1.097 1289 F HN 0.140 nan 8.300 nan 0.000 0.547 1290 A N 1.219 123.917 122.820 -0.203 0.000 1.877 1290 A HA -0.135 4.180 4.320 -0.009 0.000 0.216 1290 A C 2.294 179.692 177.584 -0.310 0.000 1.186 1290 A CA 1.808 53.613 52.037 -0.387 0.000 0.620 1290 A CB -1.279 17.316 19.000 -0.675 0.000 0.822 1290 A HN 0.464 nan 8.150 nan 0.000 0.443 1291 L N -2.518 118.524 121.223 -0.301 0.000 2.129 1291 L HA -0.271 4.064 4.340 -0.009 0.000 0.212 1291 L C 2.556 179.313 176.870 -0.187 0.000 1.087 1291 L CA 1.543 56.279 54.840 -0.172 0.000 0.757 1291 L CB -0.396 41.522 42.059 -0.235 0.000 0.896 1291 L HN 0.649 nan 8.230 nan 0.000 0.434 1292 W N -1.217 120.019 121.300 -0.106 0.000 2.441 1292 W HA -0.150 4.505 4.660 -0.009 0.000 0.302 1292 W C 2.735 179.211 176.519 -0.072 0.000 1.191 1292 W CA 1.307 58.618 57.345 -0.056 0.000 1.327 1292 W CB -0.505 28.944 29.460 -0.019 0.000 1.128 1292 W HN 0.180 nan 8.180 nan 0.000 0.522 1293 H N 0.189 119.154 119.070 -0.175 0.000 2.289 1293 H HA -0.242 4.308 4.556 -0.009 0.000 0.296 1293 H C 2.161 177.345 175.328 -0.241 0.000 1.091 1293 H CA 2.915 58.751 56.048 -0.354 0.000 1.274 1293 H CB -0.412 28.779 29.762 -0.952 0.000 1.364 1293 H HN 0.016 nan 8.280 nan 0.000 0.490 1294 A N -0.108 122.649 122.820 -0.105 0.000 1.908 1294 A HA -0.259 4.055 4.320 -0.009 0.000 0.218 1294 A C 2.392 179.903 177.584 -0.123 0.000 1.181 1294 A CA 1.797 53.782 52.037 -0.087 0.000 0.627 1294 A CB -1.494 17.577 19.000 0.118 0.000 0.818 1294 A HN 0.763 nan 8.150 nan 0.000 0.445 1295 Y N 0.534 120.711 120.300 -0.206 0.000 2.145 1295 Y HA -0.078 4.466 4.550 -0.009 0.000 0.286 1295 Y C 2.533 178.333 175.900 -0.168 0.000 1.145 1295 Y CA 1.496 59.438 58.100 -0.263 0.000 1.148 1295 Y CB -0.487 37.827 38.460 -0.244 0.000 0.981 1295 Y HN 0.285 nan 8.280 nan 0.000 0.507 1296 A N -0.913 121.865 122.820 -0.071 0.000 2.067 1296 A HA -0.161 4.153 4.320 -0.009 0.000 0.219 1296 A C 1.792 179.201 177.584 -0.292 0.000 1.158 1296 A CA 1.554 53.498 52.037 -0.154 0.000 0.661 1296 A CB -0.917 18.088 19.000 0.008 0.000 0.801 1296 A HN 0.733 nan 8.150 nan 0.000 0.452 1297 H N -1.470 117.356 119.070 -0.407 0.000 2.553 1297 H HA 0.194 4.744 4.556 -0.009 0.000 0.265 1297 H C 1.552 176.868 175.328 -0.019 0.000 0.964 1297 H CA 0.561 56.397 56.048 -0.354 0.000 1.156 1297 H CB 0.295 29.532 29.762 -0.875 0.000 1.411 1297 H HN 0.614 nan 8.280 nan 0.000 0.558 1298 G N 1.699 110.463 108.800 -0.061 0.000 2.176 1298 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.252 1298 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.252 1298 G C -0.513 174.504 174.900 0.195 0.000 1.024 1298 G CA 0.034 45.123 45.100 -0.018 0.000 0.755 1298 G HN 0.459 nan 8.290 nan 0.000 0.507 1299 H N -0.329 118.669 119.070 -0.120 0.000 2.680 1299 H HA 0.425 4.976 4.556 -0.009 0.000 0.224 1299 H C 1.174 176.502 175.328 0.000 0.000 1.866 1299 H CA -1.009 55.045 56.048 0.011 0.000 1.302 1299 H CB -0.468 29.315 29.762 0.034 0.000 1.709 1299 H HN 0.468 nan 8.280 nan 0.000 0.537 1300 Y N -0.225 120.158 120.300 0.139 0.000 2.483 1300 Y HA -0.121 4.423 4.550 -0.009 0.000 0.291 1300 Y C 2.436 178.424 175.900 0.146 0.000 1.143 1300 Y CA 1.098 59.271 58.100 0.122 0.000 1.289 1300 Y CB -0.022 38.482 38.460 0.073 0.000 0.983 1300 Y HN 0.575 nan 8.280 nan 0.000 0.556 1301 G N -0.063 108.907 108.800 0.284 0.000 2.394 1301 G HA2 -0.108 3.847 3.960 -0.009 0.000 0.214 1301 G HA3 -0.108 3.847 3.960 -0.009 0.000 0.214 1301 G C 1.072 176.116 174.900 0.240 0.000 1.176 1301 G CA -0.036 45.229 45.100 0.275 0.000 0.786 1301 G HN 0.188 nan 8.290 nan 0.000 0.533 1305 K N 0.732 120.908 120.400 -0.374 0.000 2.152 1305 K HA -0.059 4.256 4.320 -0.009 0.000 0.206 1305 K C 1.507 177.795 176.600 -0.519 0.000 1.048 1305 K CA 2.482 58.363 56.287 -0.676 0.000 0.933 1305 K CB -0.634 31.129 32.500 -1.229 0.000 0.721 1305 K HN 0.674 nan 8.250 nan 0.000 0.447 1306 Y N -1.635 118.505 120.300 -0.266 0.000 2.153 1306 Y HA -0.091 4.454 4.550 -0.009 0.000 0.289 1306 Y C 2.041 177.851 175.900 -0.149 0.000 1.119 1306 Y CA 0.636 58.633 58.100 -0.172 0.000 1.116 1306 Y CB -0.195 38.201 38.460 -0.107 0.000 1.004 1306 Y HN -0.148 nan 8.280 nan 0.000 0.501 1307 V N 1.207 121.139 119.914 0.031 0.000 3.330 1307 V HA -0.146 3.968 4.120 -0.009 0.000 0.273 1307 V C 1.717 177.773 176.094 -0.064 0.000 1.179 1307 V CA 1.417 63.731 62.300 0.023 0.000 1.174 1307 V CB -0.836 31.004 31.823 0.029 0.000 0.794 1307 V HN 0.411 nan 8.190 nan 0.000 0.527 1308 V N -3.020 116.759 119.914 -0.225 0.000 2.599 1308 V HA 0.047 4.162 4.120 -0.009 0.000 0.245 1308 V C 2.509 178.515 176.094 -0.146 0.000 1.046 1308 V CA 0.953 63.090 62.300 -0.272 0.000 1.065 1308 V CB -0.820 30.714 31.823 -0.482 0.000 0.703 1308 V HN 0.308 nan 8.190 nan 0.000 0.464 1309 K N 0.677 121.019 120.400 -0.096 0.000 2.020 1309 K HA -0.134 4.180 4.320 -0.009 0.000 0.212 1309 K C 2.134 178.727 176.600 -0.013 0.000 1.050 1309 K CA 1.860 58.127 56.287 -0.033 0.000 0.929 1309 K CB -0.872 31.642 32.500 0.023 0.000 0.714 1309 K HN 0.417 nan 8.250 nan 0.000 0.443 1310 L N 0.966 122.208 121.223 0.031 0.000 2.079 1310 L HA -0.087 4.248 4.340 -0.009 0.000 0.210 1310 L C 2.352 179.147 176.870 -0.126 0.000 1.081 1310 L CA 1.218 56.103 54.840 0.076 0.000 0.752 1310 L CB -0.599 41.649 42.059 0.314 0.000 0.896 1310 L HN 0.159 nan 8.230 nan 0.000 0.433 1311 I N -0.953 119.516 120.570 -0.169 0.000 3.001 1311 I HA -0.215 3.950 4.170 -0.009 0.000 0.268 1311 I C 2.030 178.063 176.117 -0.139 0.000 1.267 1311 I CA 0.724 61.864 61.300 -0.266 0.000 1.472 1311 I CB 0.105 38.002 38.000 -0.171 0.000 1.089 1311 I HN 0.410 nan 8.210 nan 0.000 0.468 1312 E N 0.070 120.214 120.200 -0.094 0.000 2.190 1312 E HA -0.131 4.214 4.350 -0.009 0.000 0.191 1312 E C 1.730 178.308 176.600 -0.036 0.000 0.978 1312 E CA 0.730 57.100 56.400 -0.049 0.000 0.839 1312 E CB 0.218 29.897 29.700 -0.035 0.000 0.787 1312 E HN 0.550 nan 8.360 nan 0.000 0.473 1313 E N 0.442 120.617 120.200 -0.042 0.000 2.099 1313 E HA -0.004 4.341 4.350 -0.009 0.000 0.191 1313 E C 1.779 178.359 176.600 -0.034 0.000 0.962 1313 E CA 0.535 56.923 56.400 -0.021 0.000 0.826 1313 E CB 0.310 30.011 29.700 0.002 0.000 0.788 1313 E HN 0.036 nan 8.360 nan 0.000 0.461 1314 K N 0.093 120.450 120.400 -0.071 0.000 2.157 1314 K HA 0.193 4.508 4.320 -0.009 0.000 0.207 1314 K C 0.062 176.608 176.600 -0.091 0.000 1.030 1314 K CA -0.120 56.135 56.287 -0.054 0.000 0.965 1314 K CB 0.476 32.993 32.500 0.028 0.000 0.877 1314 K HN -0.149 nan 8.250 nan 0.000 0.460 1315 R N 1.900 122.248 120.500 -0.255 0.000 2.448 1315 R HA -0.094 4.241 4.340 -0.009 0.000 0.336 1315 R C -1.358 175.041 176.300 0.165 0.000 1.038 1315 R CA 0.322 56.378 56.100 -0.073 0.000 0.804 1315 R CB -1.765 28.542 30.300 0.012 0.000 2.350 1315 R HN 0.339 nan 8.270 nan 0.000 0.484 1316 T N 0.547 115.322 114.554 0.368 0.000 2.924 1316 T HA 0.293 4.638 4.350 -0.009 0.000 0.291 1316 T C 1.312 176.241 174.700 0.382 0.000 1.045 1316 T CA -0.782 61.600 62.100 0.470 0.000 1.015 1316 T CB 2.093 71.211 68.868 0.418 0.000 1.103 1316 T HN 0.573 nan 8.240 nan 0.000 0.496 1317 R N 1.041 121.460 120.500 -0.135 0.000 2.117 1317 R HA -0.183 4.152 4.340 -0.009 0.000 0.243 1317 R C 0.857 177.081 176.300 -0.127 0.000 1.143 1317 R CA 2.325 58.002 56.100 -0.704 0.000 0.968 1317 R CB -0.419 29.375 30.300 -0.843 0.000 0.863 1317 R HN 0.554 nan 8.270 nan 0.000 0.444 1318 D N -0.264 120.126 120.400 -0.017 0.000 2.182 1318 D HA -0.153 4.482 4.640 -0.009 0.000 0.201 1318 D C 1.594 177.895 176.300 0.001 0.000 0.986 1318 D CA 1.572 55.556 54.000 -0.025 0.000 0.847 1318 D CB -0.290 40.469 40.800 -0.070 0.000 0.942 1318 D HN 0.536 nan 8.370 nan 0.000 0.467 1319 H N -1.243 117.903 119.070 0.127 0.000 2.389 1319 H HA -0.004 4.547 4.556 -0.009 0.000 0.299 1319 H C 1.599 176.997 175.328 0.117 0.000 1.081 1319 H CA 0.978 57.102 56.048 0.127 0.000 1.345 1319 H CB -0.163 29.704 29.762 0.175 0.000 1.393 1319 H HN 0.123 nan 8.280 nan 0.000 0.520 1320 F N -0.114 119.915 119.950 0.132 0.000 2.187 1320 F HA -0.133 4.389 4.527 -0.009 0.000 0.295 1320 F C 2.494 178.322 175.800 0.047 0.000 1.091 1320 F CA 1.005 59.067 58.000 0.102 0.000 1.308 1320 F CB -0.734 38.314 39.000 0.081 0.000 1.030 1320 F HN 0.081 nan 8.300 nan 0.000 0.487 1321 V N -2.169 117.846 119.914 0.167 0.000 2.594 1321 V HA -0.183 3.932 4.120 -0.009 0.000 0.253 1321 V C 2.043 178.171 176.094 0.056 0.000 1.069 1321 V CA 2.014 64.359 62.300 0.075 0.000 1.082 1321 V CB -0.535 31.296 31.823 0.013 0.000 0.680 1321 V HN 0.302 nan 8.190 nan 0.000 0.469 1322 E N 0.067 120.295 120.200 0.047 0.000 2.122 1322 E HA -0.035 4.309 4.350 -0.009 0.000 0.190 1322 E C 1.981 178.615 176.600 0.057 0.000 0.977 1322 E CA 0.945 57.358 56.400 0.021 0.000 0.820 1322 E CB 0.005 29.686 29.700 -0.031 0.000 0.770 1322 E HN 0.569 nan 8.360 nan 0.000 0.462 1323 L N 0.670 121.936 121.223 0.071 0.000 2.275 1323 L HA 0.004 4.339 4.340 -0.009 0.000 0.215 1323 L C 2.015 178.952 176.870 0.111 0.000 1.119 1323 L CA 1.437 56.340 54.840 0.104 0.000 0.790 1323 L CB -0.611 41.473 42.059 0.041 0.000 0.919 1323 L HN 0.007 nan 8.230 nan 0.000 0.443 1324 A N -0.877 121.998 122.820 0.091 0.000 1.874 1324 A HA 0.052 4.367 4.320 -0.009 0.000 0.214 1324 A C 2.433 180.045 177.584 0.046 0.000 1.189 1324 A CA 1.204 53.280 52.037 0.064 0.000 0.615 1324 A CB -0.966 18.078 19.000 0.074 0.000 0.830 1324 A HN 0.419 nan 8.150 nan 0.000 0.443 1325 A N 0.133 122.986 122.820 0.055 0.000 1.978 1325 A HA -0.121 4.193 4.320 -0.009 0.000 0.220 1325 A C 2.069 179.706 177.584 0.089 0.000 1.170 1325 A CA 1.562 53.634 52.037 0.057 0.000 0.636 1325 A CB -0.705 18.328 19.000 0.056 0.000 0.810 1325 A HN 0.515 nan 8.150 nan 0.000 0.448 1326 I N -0.041 120.604 120.570 0.125 0.000 2.208 1326 I HA -0.288 3.876 4.170 -0.009 0.000 0.245 1326 I C 2.309 178.485 176.117 0.099 0.000 1.097 1326 I CA 1.258 62.680 61.300 0.203 0.000 1.363 1326 I CB -0.469 37.667 38.000 0.228 0.000 1.051 1326 I HN 0.370 nan 8.210 nan 0.000 0.413 1327 N N 1.069 119.791 118.700 0.038 0.000 2.106 1327 N HA -0.118 4.616 4.740 -0.009 0.000 0.188 1327 N C 1.968 177.414 175.510 -0.107 0.000 1.029 1327 N CA 1.680 54.709 53.050 -0.035 0.000 0.848 1327 N CB -0.581 37.857 38.487 -0.082 0.000 1.007 1327 N HN 0.421 nan 8.380 nan 0.000 0.423 1328 G N 1.004 109.761 108.800 -0.071 0.000 2.513 1328 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.219 1328 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.219 1328 G C 1.597 176.411 174.900 -0.143 0.000 1.160 1328 G CA 1.353 46.403 45.100 -0.083 0.000 0.767 1328 G HN 0.451 nan 8.290 nan 0.000 0.571 1329 A N -0.030 122.694 122.820 -0.161 0.000 2.067 1329 A HA 0.228 4.543 4.320 -0.009 0.000 0.219 1329 A C 2.333 179.606 177.584 -0.519 0.000 1.158 1329 A CA 0.973 52.825 52.037 -0.310 0.000 0.661 1329 A CB -0.221 18.592 19.000 -0.311 0.000 0.801 1329 A HN 0.384 nan 8.150 nan 0.000 0.452 1330 L N -2.181 118.760 121.223 -0.470 0.000 2.418 1330 L HA 0.166 4.501 4.340 -0.009 0.000 0.218 1330 L C 1.996 178.498 176.870 -0.614 0.000 1.125 1330 L CA 0.738 55.252 54.840 -0.543 0.000 0.835 1330 L CB -0.007 41.783 42.059 -0.450 0.000 0.953 1330 L HN 0.586 nan 8.230 nan 0.000 0.454 1331 G N -1.348 107.187 108.800 -0.442 0.000 2.313 1331 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.215 1331 G HA3 -0.236 3.719 3.960 -0.009 0.000 0.215 1331 G C 0.238 175.022 174.900 -0.193 0.000 1.023 1331 G CA -0.267 44.652 45.100 -0.302 0.000 0.626 1331 G HN 0.374 nan 8.290 nan 0.000 0.503 1332 H N 2.142 121.189 119.070 -0.039 0.000 3.342 1332 H HA 0.266 4.817 4.556 -0.009 0.000 0.237 1332 H C 1.085 176.319 175.328 -0.158 0.000 1.044 1332 H CA 0.813 56.823 56.048 -0.062 0.000 1.436 1332 H CB 0.273 29.900 29.762 -0.225 0.000 1.569 1332 H HN 0.564 nan 8.280 nan 0.000 0.507 1333 E N 1.647 121.889 120.200 0.071 0.000 2.472 1333 E HA -0.057 4.288 4.350 -0.009 0.000 0.196 1333 E C 1.349 177.970 176.600 0.035 0.000 1.033 1333 E CA 0.067 56.477 56.400 0.016 0.000 0.886 1333 E CB 0.252 29.974 29.700 0.037 0.000 0.944 1333 E HN 0.832 nan 8.360 nan 0.000 0.492 1334 H N -0.427 118.666 119.070 0.038 0.000 2.428 1334 H HA 0.054 4.605 4.556 -0.009 0.000 0.296 1334 H C 2.000 177.342 175.328 0.024 0.000 1.062 1334 H CA 0.816 56.889 56.048 0.043 0.000 1.350 1334 H CB -0.207 29.582 29.762 0.045 0.000 1.403 1334 H HN 0.036 nan 8.280 nan 0.000 0.533 1335 I N 0.579 120.720 120.570 -0.715 0.000 2.233 1335 I HA -0.165 4.000 4.170 -0.009 0.000 0.243 1335 I C 2.824 178.754 176.117 -0.312 0.000 1.093 1335 I CA 1.226 62.181 61.300 -0.575 0.000 1.380 1335 I CB -0.321 37.223 38.000 -0.760 0.000 1.067 1335 I HN 0.229 nan 8.210 nan 0.000 0.413 1336 R N 0.547 120.919 120.500 -0.213 0.000 2.148 1336 R HA -0.125 4.210 4.340 -0.009 0.000 0.227 1336 R C 2.145 178.425 176.300 -0.032 0.000 1.103 1336 R CA 1.562 57.605 56.100 -0.096 0.000 0.983 1336 R CB -0.112 30.152 30.300 -0.060 0.000 0.874 1336 R HN 0.258 nan 8.270 nan 0.000 0.451 1337 T N -0.079 114.463 114.554 -0.020 0.000 2.867 1337 T HA -0.056 4.288 4.350 -0.009 0.000 0.268 1337 T C 1.657 176.372 174.700 0.025 0.000 1.057 1337 T CA 1.136 63.250 62.100 0.022 0.000 1.136 1337 T CB 0.090 68.989 68.868 0.052 0.000 0.874 1337 T HN 0.030 nan 8.240 nan 0.000 0.466 1338 V N 1.334 121.252 119.914 0.007 0.000 2.407 1338 V HA -0.026 4.089 4.120 -0.009 0.000 0.245 1338 V C 2.350 178.476 176.094 0.053 0.000 1.041 1338 V CA 1.111 63.414 62.300 0.005 0.000 1.040 1338 V CB -0.476 31.345 31.823 -0.004 0.000 0.671 1338 V HN 0.488 nan 8.190 nan 0.000 0.455 1339 I N 0.894 121.505 120.570 0.069 0.000 2.335 1339 I HA -0.224 3.940 4.170 -0.009 0.000 0.251 1339 I C 2.076 178.299 176.117 0.176 0.000 1.129 1339 I CA 1.305 62.710 61.300 0.176 0.000 1.402 1339 I CB -0.557 37.532 38.000 0.149 0.000 1.069 1339 I HN 0.383 nan 8.210 nan 0.000 0.424 1340 N N 1.076 119.835 118.700 0.098 0.000 2.520 1340 N HA -0.025 4.710 4.740 -0.009 0.000 0.185 1340 N C 0.858 176.408 175.510 0.065 0.000 1.068 1340 N CA 0.623 53.719 53.050 0.077 0.000 0.911 1340 N CB -0.012 38.504 38.487 0.049 0.000 0.961 1340 N HN 0.420 nan 8.380 nan 0.000 0.446 1345 T N -1.315 113.238 114.554 -0.002 0.000 3.033 1345 T HA 0.319 4.664 4.350 -0.009 0.000 0.248 1345 T C 1.679 176.322 174.700 -0.095 0.000 1.040 1345 T CA 0.774 62.844 62.100 -0.049 0.000 1.133 1345 T CB -0.081 68.747 68.868 -0.067 0.000 0.895 1345 T HN 0.127 nan 8.240 nan 0.000 0.465 1346 A N 0.362 123.103 122.820 -0.132 0.000 2.167 1346 A HA 0.421 4.736 4.320 -0.009 0.000 0.214 1346 A C 0.539 177.673 177.584 -0.750 0.000 1.151 1346 A CA 0.141 51.924 52.037 -0.425 0.000 0.735 1346 A CB -0.676 17.983 19.000 -0.568 0.000 0.802 1346 A HN 0.598 nan 8.150 nan 0.000 0.467 1347 F N -0.071 119.766 119.950 -0.188 0.000 2.564 1347 F HA 0.315 4.837 4.527 -0.009 0.000 0.329 1347 F C -2.523 173.191 175.800 -0.142 0.000 1.458 1347 F CA -2.169 55.729 58.000 -0.171 0.000 1.117 1347 F CB 0.502 39.399 39.000 -0.171 0.000 1.383 1347 F HN -0.038 nan 8.300 nan 0.000 0.571 1348 P HA 0.049 nan 4.420 nan 0.000 0.271 1348 P C 1.051 178.304 177.300 -0.078 0.000 1.233 1348 P CA 0.162 63.219 63.100 -0.072 0.000 0.789 1348 P CB 1.198 32.822 31.700 -0.127 0.000 0.951 1349 S N 0.002 115.669 115.700 -0.055 0.000 2.357 1349 S HA -0.009 4.455 4.470 -0.009 0.000 0.221 1349 S C 0.837 175.396 174.600 -0.069 0.000 1.031 1349 S CA 1.227 59.402 58.200 -0.042 0.000 0.982 1349 S CB -0.416 62.777 63.200 -0.012 0.000 0.853 1349 S HN 0.681 nan 8.310 nan 0.000 0.458 1350 S N -0.770 114.884 115.700 -0.077 0.000 2.671 1350 S HA 0.679 5.143 4.470 -0.009 0.000 0.299 1350 S C -0.596 173.913 174.600 -0.153 0.000 1.116 1350 S CA -0.906 57.265 58.200 -0.049 0.000 0.912 1350 S CB 0.600 63.820 63.200 0.034 0.000 1.130 1350 S HN 0.227 nan 8.310 nan 0.000 0.501 1351 F N 1.562 121.375 119.950 -0.229 0.000 2.518 1351 F HA 0.349 4.871 4.527 -0.009 0.000 0.359 1351 F C 1.442 177.105 175.800 -0.228 0.000 1.118 1351 F CA -0.439 57.304 58.000 -0.429 0.000 1.287 1351 F CB 0.595 39.197 39.000 -0.663 0.000 1.132 1351 F HN 0.638 nan 8.300 nan 0.000 0.587 1352 R N 3.342 123.857 120.500 0.025 0.000 2.640 1352 R HA 0.161 4.496 4.340 -0.009 0.000 0.270 1352 R C -0.258 176.064 176.300 0.037 0.000 1.024 1352 R CA -0.413 55.728 56.100 0.068 0.000 1.085 1352 R CB 0.312 30.683 30.300 0.119 0.000 0.963 1352 R HN 0.691 nan 8.270 nan 0.000 0.426 1353 L N 3.147 124.380 121.223 0.016 0.000 2.468 1353 L HA 0.143 4.478 4.340 -0.009 0.000 0.253 1353 L C 0.416 177.262 176.870 -0.040 0.000 1.237 1353 L CA 0.115 54.978 54.840 0.038 0.000 0.823 1353 L CB 0.162 42.252 42.059 0.051 0.000 1.124 1353 L HN 0.577 nan 8.230 nan 0.000 0.504 1354 F N 0.000 119.977 119.950 0.046 0.000 2.286 1354 F HA 0.000 4.522 4.527 -0.009 0.000 0.279 1354 F CA 0.000 58.015 58.000 0.025 0.000 1.383 1354 F CB 0.000 39.013 39.000 0.021 0.000 1.145 1354 F HN 0.000 nan 8.300 nan 0.000 0.574