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 2iux_1_A DATA FIRST_RESID 40 DATA SEQUENCE DEAEASKFVE EYDRTSQVVW NEYAEANWNY NTNITTETSK ILLQKNMQIA DATA SEQUENCE NHTLKYGTQA RKFDVNQLQN TTIKRIIKKV QDLERAALPA QELEEYNKIL DATA SEQUENCE LDMETTYSVA TVcHPNGScL QLEPDLTNVM ATSRKYEDLL WAWEGWRDKA DATA SEQUENCE GRAILQFYPK YVELINQAAR LNGYVDAGDS WRSMYETPSL EQDLERLFQE DATA SEQUENCE LQPLYLNLHA YVRRALHRHY GAQHINLEGP IPAHLLGNMW AQTWSNIYDL DATA SEQUENCE VVPFPSAPSM DTTEAMLKQG WTPRRMFKEA DDFFTSLGLL PVPPEFWQKS DATA SEQUENCE MLEKPTDGRE VVcHASAWDF YNGKDFRIKQ cTTVNLEDLV VAHHEMGHIQ DATA SEQUENCE YFMQYKDLPV ALREGANPGF HEAIGDVLAL SVSTPKHLHS LNLLSSXGGS DATA SEQUENCE DEHDINFLMK MALDKIAFIP FSYLVDQWRW RVFDGSITKE NYNQEWWSLR DATA SEQUENCE LKYQGLCPPV PRTQGDFDPG AKFHIPSSVP YIRYFVSFII QFQFHEALcQ DATA SEQUENCE AAGHTGPLHK cDIYQSKEAG QRLATAMKLG FSRPWPEAMQ LITGQPQMSA DATA SEQUENCE SAMLSYFKPL LDWLRTENEL HGEKLGWP 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 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.392 176.300 0.153 0.000 2.045 40 D CA 0.000 54.066 54.000 0.110 0.000 0.868 40 D CB 0.000 40.852 40.800 0.086 0.000 0.688 41 E N 1.897 122.153 120.200 0.094 0.000 2.068 41 E HA -0.171 4.178 4.350 -0.002 0.000 0.207 41 E C 1.905 178.552 176.600 0.079 0.000 1.032 41 E CA 2.381 58.824 56.400 0.071 0.000 0.839 41 E CB -0.421 29.304 29.700 0.041 0.000 0.758 41 E HN 0.322 nan 8.360 nan 0.000 0.457 42 A N 0.293 123.157 122.820 0.074 0.000 1.917 42 A HA -0.269 4.050 4.320 -0.002 0.000 0.219 42 A C 2.179 179.829 177.584 0.110 0.000 1.182 42 A CA 2.005 54.086 52.037 0.073 0.000 0.633 42 A CB -0.621 18.413 19.000 0.057 0.000 0.819 42 A HN 0.383 nan 8.150 nan 0.000 0.448 43 E N -0.923 119.372 120.200 0.158 0.000 2.285 43 E HA 0.094 4.443 4.350 -0.002 0.000 0.194 43 E C 2.072 178.882 176.600 0.351 0.000 0.997 43 E CA 0.512 57.057 56.400 0.242 0.000 0.845 43 E CB -0.103 29.731 29.700 0.223 0.000 0.782 43 E HN 0.613 nan 8.360 nan 0.000 0.491 44 A N 0.287 123.249 122.820 0.238 0.000 1.840 44 A HA -0.124 4.195 4.320 -0.002 0.000 0.214 44 A C 2.267 179.864 177.584 0.020 0.000 1.198 44 A CA 1.375 53.367 52.037 -0.075 0.000 0.608 44 A CB -0.813 18.090 19.000 -0.160 0.000 0.839 44 A HN 0.232 nan 8.150 nan 0.000 0.443 45 S N -0.481 115.242 115.700 0.038 0.000 2.381 45 S HA -0.285 4.184 4.470 -0.002 0.000 0.230 45 S C 2.132 176.769 174.600 0.061 0.000 1.052 45 S CA 2.311 60.532 58.200 0.035 0.000 1.068 45 S CB -0.332 62.889 63.200 0.035 0.000 0.918 45 S HN 0.596 nan 8.310 nan 0.000 0.448 46 K N -0.786 119.679 120.400 0.107 0.000 2.057 46 K HA -0.102 4.217 4.320 -0.002 0.000 0.206 46 K C 1.930 178.632 176.600 0.169 0.000 1.050 46 K CA 1.471 57.832 56.287 0.122 0.000 0.935 46 K CB -0.368 32.215 32.500 0.138 0.000 0.715 46 K HN 0.426 nan 8.250 nan 0.000 0.439 47 F N 1.155 121.155 119.950 0.083 0.000 2.095 47 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 47 F C 1.694 177.557 175.800 0.104 0.000 1.104 47 F CA 1.342 59.415 58.000 0.123 0.000 1.232 47 F CB -0.476 38.568 39.000 0.073 0.000 0.987 47 F HN -0.203 nan 8.300 nan 0.000 0.475 48 V N 0.727 120.587 119.914 -0.090 0.000 2.343 48 V HA -0.301 3.818 4.120 -0.002 0.000 0.247 48 V C 2.268 178.287 176.094 -0.125 0.000 1.051 48 V CA 2.330 64.522 62.300 -0.179 0.000 1.036 48 V CB -0.796 30.985 31.823 -0.070 0.000 0.654 48 V HN 0.383 nan 8.190 nan 0.000 0.451 49 E N 0.001 120.163 120.200 -0.064 0.000 2.031 49 E HA -0.231 4.118 4.350 -0.002 0.000 0.193 49 E C 2.256 178.801 176.600 -0.090 0.000 0.994 49 E CA 1.522 57.888 56.400 -0.058 0.000 0.800 49 E CB -0.192 29.499 29.700 -0.015 0.000 0.752 49 E HN 0.694 nan 8.360 nan 0.000 0.447 50 E N 0.218 120.385 120.200 -0.054 0.000 2.077 50 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 50 E C 1.981 178.458 176.600 -0.206 0.000 0.989 50 E CA 1.112 57.493 56.400 -0.031 0.000 0.800 50 E CB -0.259 29.526 29.700 0.142 0.000 0.746 50 E HN 0.312 nan 8.360 nan 0.000 0.452 51 Y N 1.939 121.937 120.300 -0.503 0.000 2.224 51 Y HA -0.235 4.313 4.550 -0.002 0.000 0.289 51 Y C 1.728 177.260 175.900 -0.613 0.000 1.146 51 Y CA 1.931 59.521 58.100 -0.850 0.000 1.182 51 Y CB -0.096 37.781 38.460 -0.972 0.000 0.983 51 Y HN -0.040 nan 8.280 nan 0.000 0.524 52 D N -0.667 119.467 120.400 -0.442 0.000 2.149 52 D HA -0.144 4.495 4.640 -0.002 0.000 0.201 52 D C 2.182 178.215 176.300 -0.446 0.000 0.972 52 D CA 1.512 55.248 54.000 -0.440 0.000 0.835 52 D CB -0.016 40.663 40.800 -0.202 0.000 0.966 52 D HN 0.562 nan 8.370 nan 0.000 0.476 53 R N -0.565 119.732 120.500 -0.338 0.000 2.161 53 R HA 0.019 4.358 4.340 -0.002 0.000 0.213 53 R C 1.935 178.044 176.300 -0.318 0.000 1.055 53 R CA 1.508 57.450 56.100 -0.264 0.000 0.996 53 R CB -0.721 29.486 30.300 -0.154 0.000 0.901 53 R HN 0.163 nan 8.270 nan 0.000 0.456 54 T N -1.804 112.507 114.554 -0.405 0.000 2.937 54 T HA 0.096 4.445 4.350 -0.002 0.000 0.260 54 T C 2.031 176.296 174.700 -0.724 0.000 1.051 54 T CA 0.969 62.828 62.100 -0.402 0.000 1.141 54 T CB -0.104 68.620 68.868 -0.240 0.000 0.879 54 T HN 0.142 nan 8.240 nan 0.000 0.459 55 S N 1.842 116.946 115.700 -0.993 0.000 2.368 55 S HA -0.135 4.334 4.470 -0.002 0.000 0.225 55 S C 2.259 176.183 174.600 -1.126 0.000 1.030 55 S CA 1.226 58.558 58.200 -1.446 0.000 0.999 55 S CB -0.482 61.583 63.200 -1.892 0.000 0.844 55 S HN 0.588 nan 8.310 nan 0.000 0.459 56 Q N 0.276 119.635 119.800 -0.734 0.000 2.112 56 Q HA -0.133 4.206 4.340 -0.002 0.000 0.206 56 Q C 2.266 178.138 176.000 -0.214 0.000 0.987 56 Q CA 1.563 57.145 55.803 -0.368 0.000 0.858 56 Q CB -0.381 28.222 28.738 -0.224 0.000 0.905 56 Q HN 0.381 nan 8.270 nan 0.000 0.420 57 V N -0.200 119.561 119.914 -0.256 0.000 2.255 57 V HA -0.216 3.903 4.120 -0.002 0.000 0.243 57 V C 2.238 178.264 176.094 -0.114 0.000 1.038 57 V CA 1.459 63.672 62.300 -0.145 0.000 1.008 57 V CB -0.495 31.242 31.823 -0.143 0.000 0.645 57 V HN 0.178 nan 8.190 nan 0.000 0.449 58 V N -1.262 118.508 119.914 -0.241 0.000 2.332 58 V HA -0.277 3.842 4.120 -0.002 0.000 0.248 58 V C 2.228 178.382 176.094 0.100 0.000 1.055 58 V CA 2.097 64.315 62.300 -0.137 0.000 1.038 58 V CB -0.812 30.785 31.823 -0.376 0.000 0.651 58 V HN 0.632 nan 8.190 nan 0.000 0.450 59 W N 0.476 121.623 121.300 -0.255 0.000 2.388 59 W HA -0.075 4.584 4.660 -0.002 0.000 0.294 59 W C 2.535 179.078 176.519 0.040 0.000 1.212 59 W CA 1.098 58.326 57.345 -0.194 0.000 1.271 59 W CB -1.231 27.861 29.460 -0.613 0.000 1.126 59 W HN 0.359 nan 8.180 nan 0.000 0.535 60 N N 1.053 119.919 118.700 0.278 0.000 2.244 60 N HA -0.172 4.567 4.740 -0.002 0.000 0.183 60 N C 1.316 176.963 175.510 0.228 0.000 1.016 60 N CA 1.476 54.690 53.050 0.274 0.000 0.866 60 N CB -0.117 38.487 38.487 0.194 0.000 0.980 60 N HN 0.281 nan 8.380 nan 0.000 0.430 61 E N -0.865 119.443 120.200 0.180 0.000 2.107 61 E HA -0.158 4.191 4.350 -0.002 0.000 0.191 61 E C 1.605 178.313 176.600 0.181 0.000 0.982 61 E CA 0.650 57.144 56.400 0.156 0.000 0.809 61 E CB -0.188 29.582 29.700 0.117 0.000 0.756 61 E HN 0.381 nan 8.360 nan 0.000 0.459 62 Y N 1.345 121.704 120.300 0.098 0.000 2.145 62 Y HA -0.222 4.327 4.550 -0.002 0.000 0.286 62 Y C 2.096 178.065 175.900 0.115 0.000 1.145 62 Y CA 1.375 59.523 58.100 0.079 0.000 1.148 62 Y CB -0.546 37.924 38.460 0.017 0.000 0.981 62 Y HN 0.003 nan 8.280 nan 0.000 0.507 63 A N 0.659 123.505 122.820 0.043 0.000 1.859 63 A HA -0.301 4.018 4.320 -0.002 0.000 0.217 63 A C 2.244 179.862 177.584 0.057 0.000 1.198 63 A CA 3.269 55.269 52.037 -0.061 0.000 0.629 63 A CB -1.699 17.135 19.000 -0.277 0.000 0.830 63 A HN 0.600 nan 8.150 nan 0.000 0.446 64 E N -0.581 119.745 120.200 0.209 0.000 2.049 64 E HA -0.119 4.230 4.350 -0.002 0.000 0.198 64 E C 2.401 179.122 176.600 0.202 0.000 1.007 64 E CA 2.779 59.364 56.400 0.309 0.000 0.809 64 E CB -1.372 28.462 29.700 0.223 0.000 0.749 64 E HN 1.208 nan 8.360 nan 0.000 0.450 65 A N 1.128 123.996 122.820 0.080 0.000 1.883 65 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 65 A C 2.281 179.885 177.584 0.032 0.000 1.186 65 A CA 2.264 54.327 52.037 0.043 0.000 0.624 65 A CB -0.649 18.352 19.000 0.001 0.000 0.822 65 A HN 0.531 nan 8.150 nan 0.000 0.444 66 N N -0.936 117.701 118.700 -0.105 0.000 2.149 66 N HA -0.193 4.546 4.740 -0.002 0.000 0.188 66 N C 1.589 177.246 175.510 0.244 0.000 1.019 66 N CA 1.779 54.829 53.050 -0.000 0.000 0.857 66 N CB -0.402 37.937 38.487 -0.247 0.000 0.997 66 N HN 0.737 nan 8.380 nan 0.000 0.426 67 W N 1.177 122.452 121.300 -0.041 0.000 2.379 67 W HA -0.081 4.578 4.660 -0.002 0.000 0.307 67 W C 1.165 177.567 176.519 -0.196 0.000 1.200 67 W CA 0.988 58.094 57.345 -0.397 0.000 1.297 67 W CB -0.629 28.641 29.460 -0.316 0.000 1.140 67 W HN 0.070 nan 8.180 nan 0.000 0.507 68 N N 0.386 119.147 118.700 0.103 0.000 2.104 68 N HA -0.262 4.477 4.740 -0.002 0.000 0.190 68 N C 1.517 176.981 175.510 -0.076 0.000 1.024 68 N CA 2.062 55.124 53.050 0.019 0.000 0.853 68 N CB -1.386 37.168 38.487 0.112 0.000 1.008 68 N HN 0.373 nan 8.380 nan 0.000 0.424 69 Y N 1.849 122.091 120.300 -0.096 0.000 2.133 69 Y HA -0.019 4.530 4.550 -0.002 0.000 0.287 69 Y C 1.981 177.812 175.900 -0.115 0.000 1.134 69 Y CA 1.471 59.526 58.100 -0.075 0.000 1.133 69 Y CB -0.640 37.804 38.460 -0.027 0.000 0.987 69 Y HN 0.046 nan 8.280 nan 0.000 0.502 70 N N -0.488 118.027 118.700 -0.308 0.000 2.205 70 N HA -0.158 4.581 4.740 -0.002 0.000 0.186 70 N C 1.346 176.562 175.510 -0.489 0.000 1.015 70 N CA 2.063 54.897 53.050 -0.360 0.000 0.862 70 N CB -0.291 38.155 38.487 -0.068 0.000 0.986 70 N HN 0.584 nan 8.380 nan 0.000 0.429 71 T N -2.933 111.245 114.554 -0.627 0.000 3.122 71 T HA 0.144 4.493 4.350 -0.002 0.000 0.250 71 T C 0.245 174.730 174.700 -0.358 0.000 1.067 71 T CA -0.284 61.468 62.100 -0.579 0.000 0.966 71 T CB 0.167 68.513 68.868 -0.871 0.000 1.002 71 T HN -0.053 nan 8.240 nan 0.000 0.542 72 N N 0.931 119.429 118.700 -0.337 0.000 3.354 72 N HA 0.160 4.898 4.740 -0.002 0.000 0.196 72 N C -1.511 173.861 175.510 -0.230 0.000 1.486 72 N CA -0.383 52.535 53.050 -0.220 0.000 0.768 72 N CB 0.102 38.503 38.487 -0.144 0.000 1.625 72 N HN 0.340 nan 8.380 nan 0.000 0.636 73 I N 2.666 123.081 120.570 -0.258 0.000 2.329 73 I HA 0.169 4.338 4.170 -0.002 0.000 0.295 73 I C 0.769 176.851 176.117 -0.059 0.000 1.109 73 I CA 0.203 61.346 61.300 -0.262 0.000 1.297 73 I CB 0.159 38.005 38.000 -0.258 0.000 1.433 73 I HN 0.482 nan 8.210 nan 0.000 0.509 74 T N 0.018 114.588 114.554 0.027 0.000 2.804 74 T HA 0.299 4.648 4.350 -0.002 0.000 0.290 74 T C 0.736 175.498 174.700 0.103 0.000 1.099 74 T CA -0.559 61.573 62.100 0.054 0.000 1.011 74 T CB 1.827 70.715 68.868 0.033 0.000 1.291 74 T HN 0.314 nan 8.240 nan 0.000 0.523 75 T N 0.078 114.677 114.554 0.075 0.000 2.809 75 T HA 0.017 4.366 4.350 -0.002 0.000 0.260 75 T C 1.678 176.419 174.700 0.070 0.000 1.039 75 T CA 1.454 63.598 62.100 0.073 0.000 1.141 75 T CB -0.421 68.479 68.868 0.053 0.000 0.869 75 T HN 0.768 nan 8.240 nan 0.000 0.437 76 E N 0.907 121.143 120.200 0.060 0.000 2.038 76 E HA -0.203 4.146 4.350 -0.002 0.000 0.195 76 E C 2.320 178.962 176.600 0.070 0.000 1.000 76 E CA 1.880 58.312 56.400 0.055 0.000 0.803 76 E CB -0.128 29.598 29.700 0.044 0.000 0.750 76 E HN 0.628 nan 8.360 nan 0.000 0.448 77 T N -1.767 112.843 114.554 0.093 0.000 2.929 77 T HA -0.042 4.307 4.350 -0.002 0.000 0.271 77 T C 2.065 176.861 174.700 0.161 0.000 1.085 77 T CA 1.305 63.483 62.100 0.129 0.000 1.125 77 T CB -0.086 68.867 68.868 0.142 0.000 0.874 77 T HN -0.040 nan 8.240 nan 0.000 0.494 78 S N 1.280 117.071 115.700 0.151 0.000 2.357 78 S HA 0.030 4.499 4.470 -0.002 0.000 0.221 78 S C 2.094 176.686 174.600 -0.014 0.000 1.031 78 S CA 0.668 58.885 58.200 0.029 0.000 0.982 78 S CB -0.174 63.056 63.200 0.051 0.000 0.853 78 S HN 0.541 nan 8.310 nan 0.000 0.458 79 K N 1.081 121.495 120.400 0.025 0.000 2.001 79 K HA -0.093 4.226 4.320 -0.002 0.000 0.214 79 K C 2.026 178.642 176.600 0.026 0.000 1.050 79 K CA 1.512 57.812 56.287 0.022 0.000 0.934 79 K CB -0.631 31.889 32.500 0.032 0.000 0.718 79 K HN 0.312 nan 8.250 nan 0.000 0.443 80 I N 1.201 121.794 120.570 0.039 0.000 2.185 80 I HA -0.320 3.849 4.170 -0.002 0.000 0.246 80 I C 2.477 178.621 176.117 0.044 0.000 1.088 80 I CA 0.838 62.166 61.300 0.047 0.000 1.347 80 I CB -0.342 37.691 38.000 0.055 0.000 1.041 80 I HN 0.157 nan 8.210 nan 0.000 0.415 81 L N 0.863 122.097 121.223 0.019 0.000 1.994 81 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 81 L C 2.339 179.229 176.870 0.032 0.000 1.071 81 L CA 1.839 56.676 54.840 -0.006 0.000 0.745 81 L CB -0.653 41.336 42.059 -0.116 0.000 0.892 81 L HN 0.123 nan 8.230 nan 0.000 0.431 82 L N -0.549 120.669 121.223 -0.008 0.000 2.043 82 L HA -0.269 4.070 4.340 -0.002 0.000 0.212 82 L C 2.742 179.643 176.870 0.051 0.000 1.075 82 L CA 1.758 56.604 54.840 0.011 0.000 0.752 82 L CB -0.868 41.184 42.059 -0.011 0.000 0.891 82 L HN 0.541 nan 8.230 nan 0.000 0.432 83 Q N 0.677 120.508 119.800 0.053 0.000 2.002 83 Q HA -0.235 4.104 4.340 -0.002 0.000 0.204 83 Q C 2.030 178.086 176.000 0.093 0.000 0.988 83 Q CA 1.565 57.406 55.803 0.064 0.000 0.843 83 Q CB 0.016 28.788 28.738 0.058 0.000 0.908 83 Q HN 0.331 nan 8.270 nan 0.000 0.420 84 K N 0.800 121.275 120.400 0.124 0.000 2.442 84 K HA -0.059 4.260 4.320 -0.002 0.000 0.198 84 K C 1.567 178.316 176.600 0.248 0.000 1.044 84 K CA 0.416 56.820 56.287 0.194 0.000 0.948 84 K CB -0.206 32.427 32.500 0.223 0.000 0.762 84 K HN 0.313 nan 8.250 nan 0.000 0.472 85 N N 0.700 119.513 118.700 0.188 0.000 2.135 85 N HA -0.006 4.733 4.740 -0.002 0.000 0.186 85 N C 1.816 177.350 175.510 0.040 0.000 1.027 85 N CA 0.971 54.078 53.050 0.096 0.000 0.849 85 N CB -0.067 38.468 38.487 0.082 0.000 1.002 85 N HN 0.187 nan 8.380 nan 0.000 0.425 86 M N 1.030 120.667 119.600 0.062 0.000 2.202 86 M HA -0.188 4.291 4.480 -0.002 0.000 0.262 86 M C 2.279 178.620 176.300 0.069 0.000 1.063 86 M CA 1.295 56.629 55.300 0.058 0.000 1.097 86 M CB -0.223 32.410 32.600 0.057 0.000 1.382 86 M HN 0.194 nan 8.290 nan 0.000 0.413 87 Q N 1.068 120.917 119.800 0.082 0.000 1.993 87 Q HA -0.210 4.129 4.340 -0.002 0.000 0.202 87 Q C 2.073 178.139 176.000 0.109 0.000 0.984 87 Q CA 1.735 57.596 55.803 0.096 0.000 0.837 87 Q CB -0.208 28.593 28.738 0.104 0.000 0.902 87 Q HN 0.590 nan 8.270 nan 0.000 0.423 88 I N 0.397 121.013 120.570 0.077 0.000 2.264 88 I HA -0.257 3.912 4.170 -0.002 0.000 0.248 88 I C 2.107 178.284 176.117 0.099 0.000 1.111 88 I CA 1.369 62.710 61.300 0.068 0.000 1.382 88 I CB -0.208 37.703 38.000 -0.149 0.000 1.060 88 I HN 0.363 nan 8.210 nan 0.000 0.418 89 A N 0.477 123.323 122.820 0.044 0.000 1.972 89 A HA -0.232 4.087 4.320 -0.002 0.000 0.219 89 A C 1.956 179.602 177.584 0.102 0.000 1.169 89 A CA 2.003 54.075 52.037 0.058 0.000 0.635 89 A CB -0.749 18.274 19.000 0.038 0.000 0.810 89 A HN 0.514 nan 8.150 nan 0.000 0.446 90 N N -1.039 117.732 118.700 0.118 0.000 2.171 90 N HA -0.121 4.618 4.740 -0.002 0.000 0.184 90 N C 1.603 177.222 175.510 0.183 0.000 1.021 90 N CA 1.592 54.718 53.050 0.127 0.000 0.854 90 N CB -0.531 38.025 38.487 0.115 0.000 0.994 90 N HN 0.782 nan 8.380 nan 0.000 0.426 91 H N 0.013 119.168 119.070 0.142 0.000 2.353 91 H HA 0.008 4.563 4.556 -0.002 0.000 0.300 91 H C 1.517 177.024 175.328 0.299 0.000 1.090 91 H CA 2.150 58.325 56.048 0.213 0.000 1.327 91 H CB -0.335 29.507 29.762 0.133 0.000 1.383 91 H HN 0.067 nan 8.280 nan 0.000 0.508 92 T N 0.760 115.442 114.554 0.213 0.000 2.788 92 T HA -0.131 4.217 4.350 -0.002 0.000 0.268 92 T C 1.970 176.760 174.700 0.149 0.000 1.044 92 T CA 1.255 63.470 62.100 0.191 0.000 1.139 92 T CB -0.352 68.627 68.868 0.184 0.000 0.867 92 T HN 0.203 nan 8.240 nan 0.000 0.454 93 L N 1.115 122.407 121.223 0.114 0.000 2.109 93 L HA 0.157 4.496 4.340 -0.002 0.000 0.207 93 L C 2.316 179.222 176.870 0.060 0.000 1.086 93 L CA 1.668 56.554 54.840 0.078 0.000 0.760 93 L CB -0.456 41.637 42.059 0.058 0.000 0.910 93 L HN 0.083 nan 8.230 nan 0.000 0.437 94 K N -1.575 118.859 120.400 0.056 0.000 2.025 94 K HA -0.212 4.107 4.320 -0.002 0.000 0.207 94 K C 2.004 178.549 176.600 -0.092 0.000 1.049 94 K CA 1.966 58.227 56.287 -0.043 0.000 0.933 94 K CB -0.347 32.109 32.500 -0.072 0.000 0.714 94 K HN 0.333 nan 8.250 nan 0.000 0.438 95 Y N -0.074 120.262 120.300 0.060 0.000 2.420 95 Y HA 0.123 4.672 4.550 -0.002 0.000 0.292 95 Y C 2.341 178.386 175.900 0.242 0.000 1.119 95 Y CA 0.903 59.154 58.100 0.253 0.000 1.229 95 Y CB -0.407 38.207 38.460 0.257 0.000 1.026 95 Y HN 0.233 nan 8.280 nan 0.000 0.554 96 G N -0.540 108.411 108.800 0.252 0.000 2.421 96 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.216 96 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.216 96 G C 1.730 176.681 174.900 0.084 0.000 1.171 96 G CA 1.672 46.866 45.100 0.156 0.000 0.775 96 G HN 0.299 nan 8.290 nan 0.000 0.543 97 T N 0.415 114.998 114.554 0.048 0.000 2.708 97 T HA -0.139 4.210 4.350 -0.002 0.000 0.266 97 T C 2.328 177.001 174.700 -0.045 0.000 1.037 97 T CA 1.632 63.728 62.100 -0.006 0.000 1.146 97 T CB -0.232 68.623 68.868 -0.021 0.000 0.865 97 T HN 0.332 nan 8.240 nan 0.000 0.435 98 Q N 0.654 120.425 119.800 -0.050 0.000 2.014 98 Q HA -0.141 4.198 4.340 -0.002 0.000 0.207 98 Q C 2.609 178.471 176.000 -0.231 0.000 0.993 98 Q CA 1.903 57.615 55.803 -0.152 0.000 0.850 98 Q CB -0.492 28.196 28.738 -0.083 0.000 0.916 98 Q HN 0.550 nan 8.270 nan 0.000 0.417 99 A N 0.805 123.489 122.820 -0.227 0.000 1.903 99 A HA -0.279 4.040 4.320 -0.002 0.000 0.219 99 A C 1.928 179.526 177.584 0.024 0.000 1.191 99 A CA 1.960 53.896 52.037 -0.168 0.000 0.638 99 A CB -0.711 18.302 19.000 0.022 0.000 0.823 99 A HN 0.368 nan 8.150 nan 0.000 0.451 100 R N -0.655 119.839 120.500 -0.011 0.000 2.355 100 R HA -0.085 4.254 4.340 -0.002 0.000 0.219 100 R C 1.394 177.668 176.300 -0.043 0.000 1.107 100 R CA 1.315 57.405 56.100 -0.015 0.000 1.021 100 R CB -0.194 30.091 30.300 -0.025 0.000 0.852 100 R HN 0.499 nan 8.270 nan 0.000 0.475 101 K N -0.532 119.810 120.400 -0.098 0.000 2.444 101 K HA 0.076 4.394 4.320 -0.002 0.000 0.193 101 K C -0.363 176.068 176.600 -0.281 0.000 1.024 101 K CA 0.197 56.355 56.287 -0.214 0.000 1.077 101 K CB 0.355 32.661 32.500 -0.324 0.000 0.833 101 K HN -0.056 nan 8.250 nan 0.000 0.517 102 F N 1.037 120.888 119.950 -0.164 0.000 2.404 102 F HA 0.117 4.643 4.527 -0.002 0.000 0.339 102 F C 0.593 176.337 175.800 -0.093 0.000 1.105 102 F CA -1.179 56.741 58.000 -0.134 0.000 1.087 102 F CB 0.875 39.780 39.000 -0.157 0.000 1.143 102 F HN -0.135 nan 8.300 nan 0.000 0.491 103 D N 3.336 123.807 120.400 0.117 0.000 2.422 103 D HA 0.113 4.752 4.640 -0.002 0.000 0.227 103 D C 1.027 177.368 176.300 0.068 0.000 1.190 103 D CA 0.176 54.209 54.000 0.054 0.000 0.905 103 D CB 1.120 41.932 40.800 0.020 0.000 1.034 103 D HN 0.317 nan 8.370 nan 0.000 0.507 104 V N 4.352 124.294 119.914 0.046 0.000 2.287 104 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 104 V C 2.029 178.126 176.094 0.005 0.000 1.053 104 V CA 1.264 63.575 62.300 0.018 0.000 1.027 104 V CB -0.394 31.429 31.823 -0.001 0.000 0.646 104 V HN 0.615 nan 8.190 nan 0.000 0.447 105 N N 0.573 119.274 118.700 0.002 0.000 2.609 105 N HA -0.122 4.617 4.740 -0.002 0.000 0.190 105 N C 1.474 176.984 175.510 0.000 0.000 1.157 105 N CA 0.685 53.733 53.050 -0.004 0.000 0.918 105 N CB -0.059 38.424 38.487 -0.007 0.000 0.978 105 N HN 0.744 nan 8.380 nan 0.000 0.448 106 Q N 0.345 120.150 119.800 0.009 0.000 2.182 106 Q HA 0.181 4.520 4.340 -0.002 0.000 0.270 106 Q C -1.077 174.934 176.000 0.019 0.000 0.861 106 Q CA -0.315 55.495 55.803 0.011 0.000 1.098 106 Q CB 0.229 28.974 28.738 0.012 0.000 1.188 106 Q HN -0.053 nan 8.270 nan 0.000 0.464 107 L N 1.450 122.681 121.223 0.013 0.000 2.329 107 L HA 0.308 4.647 4.340 -0.002 0.000 0.279 107 L C 0.850 177.719 176.870 -0.002 0.000 1.014 107 L CA -0.198 54.648 54.840 0.011 0.000 0.814 107 L CB 2.003 44.062 42.059 -0.001 0.000 1.257 107 L HN 0.156 nan 8.230 nan 0.000 0.424 108 Q N 0.598 120.398 119.800 0.000 0.000 2.331 108 Q HA 0.090 4.429 4.340 -0.002 0.000 0.203 108 Q C 0.239 176.233 176.000 -0.011 0.000 0.944 108 Q CA 0.338 56.139 55.803 -0.004 0.000 0.892 108 Q CB 0.093 28.831 28.738 -0.000 0.000 0.983 108 Q HN 0.524 nan 8.270 nan 0.000 0.482 109 N N 0.623 119.315 118.700 -0.013 0.000 2.455 109 N HA 0.051 4.790 4.740 -0.002 0.000 0.280 109 N C 0.387 175.880 175.510 -0.029 0.000 1.055 109 N CA 0.281 53.319 53.050 -0.019 0.000 0.961 109 N CB 1.454 39.930 38.487 -0.018 0.000 1.121 109 N HN -0.192 nan 8.380 nan 0.000 0.476 110 T N 1.831 116.365 114.554 -0.032 0.000 2.851 110 T HA -0.047 4.302 4.350 -0.002 0.000 0.262 110 T C 1.399 176.068 174.700 -0.052 0.000 1.043 110 T CA 1.345 63.419 62.100 -0.043 0.000 1.140 110 T CB -0.022 68.818 68.868 -0.046 0.000 0.872 110 T HN 0.571 nan 8.240 nan 0.000 0.446 111 T N 1.973 116.499 114.554 -0.045 0.000 2.777 111 T HA -0.010 4.339 4.350 -0.002 0.000 0.266 111 T C 1.852 176.524 174.700 -0.046 0.000 1.040 111 T CA 0.787 62.859 62.100 -0.046 0.000 1.141 111 T CB -0.270 68.578 68.868 -0.033 0.000 0.868 111 T HN 0.120 nan 8.240 nan 0.000 0.444 112 I N 1.108 121.651 120.570 -0.044 0.000 2.252 112 I HA -0.031 4.138 4.170 -0.002 0.000 0.245 112 I C 2.332 178.407 176.117 -0.071 0.000 1.102 112 I CA 1.230 62.496 61.300 -0.056 0.000 1.385 112 I CB -0.391 37.576 38.000 -0.054 0.000 1.064 112 I HN 0.119 nan 8.210 nan 0.000 0.414 113 K N 0.255 120.619 120.400 -0.061 0.000 2.103 113 K HA -0.226 4.093 4.320 -0.002 0.000 0.207 113 K C 2.406 178.975 176.600 -0.053 0.000 1.048 113 K CA 1.448 57.700 56.287 -0.059 0.000 0.930 113 K CB -0.051 32.422 32.500 -0.044 0.000 0.716 113 K HN 0.125 nan 8.250 nan 0.000 0.444 114 R N 0.394 120.861 120.500 -0.055 0.000 2.073 114 R HA -0.005 4.334 4.340 -0.002 0.000 0.229 114 R C 2.225 178.513 176.300 -0.020 0.000 1.120 114 R CA 1.269 57.338 56.100 -0.050 0.000 0.967 114 R CB -0.132 30.111 30.300 -0.095 0.000 0.862 114 R HN 0.212 nan 8.270 nan 0.000 0.436 115 I N 0.391 120.942 120.570 -0.032 0.000 2.179 115 I HA -0.298 3.871 4.170 -0.002 0.000 0.242 115 I C 2.200 178.276 176.117 -0.068 0.000 1.088 115 I CA 1.337 62.617 61.300 -0.033 0.000 1.357 115 I CB -0.220 37.749 38.000 -0.051 0.000 1.051 115 I HN 0.192 nan 8.210 nan 0.000 0.409 116 I N 0.461 120.985 120.570 -0.076 0.000 2.226 116 I HA -0.304 3.864 4.170 -0.002 0.000 0.245 116 I C 2.644 178.737 176.117 -0.040 0.000 1.100 116 I CA 1.401 62.658 61.300 -0.072 0.000 1.374 116 I CB -0.375 37.519 38.000 -0.177 0.000 1.057 116 I HN 0.191 nan 8.210 nan 0.000 0.413 117 K N 0.941 121.327 120.400 -0.024 0.000 2.063 117 K HA -0.258 4.061 4.320 -0.002 0.000 0.208 117 K C 2.199 178.822 176.600 0.038 0.000 1.048 117 K CA 1.556 57.847 56.287 0.007 0.000 0.928 117 K CB -0.075 32.433 32.500 0.013 0.000 0.713 117 K HN 0.167 nan 8.250 nan 0.000 0.442 118 K N 0.595 121.029 120.400 0.057 0.000 2.057 118 K HA -0.108 4.211 4.320 -0.002 0.000 0.207 118 K C 1.802 178.440 176.600 0.063 0.000 1.049 118 K CA 1.119 57.466 56.287 0.100 0.000 0.931 118 K CB 0.072 32.661 32.500 0.149 0.000 0.714 118 K HN -0.074 nan 8.250 nan 0.000 0.440 119 V N 1.742 121.644 119.914 -0.021 0.000 2.594 119 V HA -0.232 3.887 4.120 -0.002 0.000 0.253 119 V C 1.951 178.067 176.094 0.036 0.000 1.069 119 V CA 1.669 63.928 62.300 -0.069 0.000 1.082 119 V CB -0.531 31.119 31.823 -0.288 0.000 0.680 119 V HN 0.421 nan 8.190 nan 0.000 0.469 120 Q N -0.522 119.301 119.800 0.038 0.000 2.488 120 Q HA -0.072 4.267 4.340 -0.002 0.000 0.211 120 Q C 0.626 176.660 176.000 0.058 0.000 0.967 120 Q CA 0.414 56.242 55.803 0.042 0.000 0.926 120 Q CB -0.009 28.741 28.738 0.020 0.000 0.992 120 Q HN 0.506 nan 8.270 nan 0.000 0.506 121 D N 0.477 120.929 120.400 0.086 0.000 2.428 121 D HA 0.099 4.738 4.640 -0.002 0.000 0.221 121 D C 0.508 176.872 176.300 0.106 0.000 1.123 121 D CA -0.128 53.942 54.000 0.116 0.000 0.869 121 D CB 0.778 41.679 40.800 0.168 0.000 1.032 121 D HN 0.115 nan 8.370 nan 0.000 0.506 122 L N 2.816 124.090 121.223 0.086 0.000 2.552 122 L HA 0.050 4.389 4.340 -0.002 0.000 0.227 122 L C 1.288 178.192 176.870 0.057 0.000 1.146 122 L CA -0.010 54.877 54.840 0.078 0.000 0.858 122 L CB -0.515 41.579 42.059 0.057 0.000 0.969 122 L HN 0.464 nan 8.230 nan 0.000 0.451 123 E N 0.231 120.464 120.200 0.055 0.000 3.374 123 E HA -0.415 3.933 4.350 -0.002 0.000 0.319 123 E C 1.425 178.018 176.600 -0.011 0.000 1.492 123 E CA 1.587 58.003 56.400 0.027 0.000 1.899 123 E CB -0.802 28.918 29.700 0.032 0.000 1.894 123 E HN 0.489 nan 8.360 nan 0.000 0.484 124 R N 1.461 121.959 120.500 -0.002 0.000 2.139 124 R HA -0.097 4.242 4.340 -0.002 0.000 0.243 124 R C 2.160 178.455 176.300 -0.009 0.000 1.145 124 R CA 2.063 58.149 56.100 -0.023 0.000 0.976 124 R CB -0.448 29.948 30.300 0.162 0.000 0.866 124 R HN 0.431 nan 8.270 nan 0.000 0.449 125 A N 0.949 123.779 122.820 0.017 0.000 2.225 125 A HA 0.062 4.381 4.320 -0.002 0.000 0.215 125 A C 2.309 179.901 177.584 0.014 0.000 1.164 125 A CA 1.251 53.303 52.037 0.026 0.000 0.710 125 A CB -0.486 18.542 19.000 0.046 0.000 0.780 125 A HN 0.612 nan 8.150 nan 0.000 0.473 126 A N -0.487 122.329 122.820 -0.007 0.000 2.067 126 A HA 0.294 4.613 4.320 -0.002 0.000 0.217 126 A C 1.057 178.622 177.584 -0.032 0.000 1.156 126 A CA 0.085 52.113 52.037 -0.015 0.000 0.683 126 A CB -0.337 18.650 19.000 -0.022 0.000 0.808 126 A HN 0.468 nan 8.150 nan 0.000 0.455 127 L N 0.330 121.523 121.223 -0.049 0.000 2.467 127 L HA 0.177 4.516 4.340 -0.002 0.000 0.270 127 L C -2.220 174.638 176.870 -0.020 0.000 1.205 127 L CA -1.727 53.081 54.840 -0.054 0.000 0.828 127 L CB 0.007 42.020 42.059 -0.077 0.000 1.101 127 L HN 0.052 nan 8.230 nan 0.000 0.479 128 P HA 0.063 nan 4.420 nan 0.000 0.275 128 P C 0.134 177.439 177.300 0.008 0.000 1.228 128 P CA -0.087 63.010 63.100 -0.005 0.000 0.786 128 P CB 1.034 32.728 31.700 -0.009 0.000 0.927 129 A N 2.869 125.697 122.820 0.015 0.000 1.893 129 A HA -0.362 3.957 4.320 -0.002 0.000 0.222 129 A C 2.187 179.788 177.584 0.029 0.000 1.309 129 A CA 2.543 54.595 52.037 0.024 0.000 0.681 129 A CB -1.783 17.230 19.000 0.023 0.000 0.842 129 A HN 0.699 nan 8.150 nan 0.000 0.468 130 Q N -1.013 118.802 119.800 0.024 0.000 2.045 130 Q HA -0.292 4.047 4.340 -0.002 0.000 0.206 130 Q C 1.981 178.004 176.000 0.038 0.000 0.991 130 Q CA 2.322 58.142 55.803 0.029 0.000 0.851 130 Q CB -0.198 28.552 28.738 0.021 0.000 0.911 130 Q HN 0.745 nan 8.270 nan 0.000 0.418 131 E N 0.036 120.253 120.200 0.028 0.000 2.204 131 E HA -0.156 4.193 4.350 -0.002 0.000 0.194 131 E C 1.671 178.311 176.600 0.067 0.000 0.989 131 E CA 0.754 57.173 56.400 0.033 0.000 0.824 131 E CB -0.060 29.635 29.700 -0.007 0.000 0.756 131 E HN 0.299 nan 8.360 nan 0.000 0.477 132 L N 1.198 122.458 121.223 0.061 0.000 2.109 132 L HA -0.110 4.229 4.340 -0.002 0.000 0.207 132 L C 2.080 179.027 176.870 0.128 0.000 1.086 132 L CA 1.842 56.743 54.840 0.102 0.000 0.760 132 L CB -0.421 41.677 42.059 0.066 0.000 0.910 132 L HN 0.197 nan 8.230 nan 0.000 0.437 133 E N -0.847 119.404 120.200 0.085 0.000 2.152 133 E HA -0.273 4.076 4.350 -0.002 0.000 0.192 133 E C 1.934 178.579 176.600 0.074 0.000 0.983 133 E CA 1.208 57.649 56.400 0.068 0.000 0.818 133 E CB -0.521 29.209 29.700 0.049 0.000 0.758 133 E HN 0.722 nan 8.360 nan 0.000 0.467 134 E N -0.065 120.191 120.200 0.093 0.000 2.072 134 E HA -0.231 4.118 4.350 -0.002 0.000 0.191 134 E C 1.927 178.609 176.600 0.138 0.000 0.985 134 E CA 0.968 57.429 56.400 0.101 0.000 0.801 134 E CB -0.259 29.501 29.700 0.100 0.000 0.750 134 E HN 0.405 nan 8.360 nan 0.000 0.452 135 Y N 1.816 122.133 120.300 0.029 0.000 2.145 135 Y HA -0.180 4.369 4.550 -0.002 0.000 0.286 135 Y C 1.955 177.873 175.900 0.030 0.000 1.145 135 Y CA 1.908 60.030 58.100 0.038 0.000 1.148 135 Y CB -0.359 38.113 38.460 0.021 0.000 0.981 135 Y HN 0.080 nan 8.280 nan 0.000 0.507 136 N N 0.520 119.205 118.700 -0.025 0.000 2.223 136 N HA -0.175 4.564 4.740 -0.002 0.000 0.185 136 N C 1.857 177.277 175.510 -0.149 0.000 1.016 136 N CA 1.193 54.159 53.050 -0.140 0.000 0.863 136 N CB -0.286 38.185 38.487 -0.026 0.000 0.983 136 N HN 0.420 nan 8.380 nan 0.000 0.429 137 K N 0.858 121.211 120.400 -0.079 0.000 2.103 137 K HA 0.063 4.382 4.320 -0.002 0.000 0.204 137 K C 2.004 178.522 176.600 -0.137 0.000 1.052 137 K CA 0.452 56.692 56.287 -0.079 0.000 0.945 137 K CB 0.015 32.510 32.500 -0.009 0.000 0.722 137 K HN 0.119 nan 8.250 nan 0.000 0.443 138 I N 1.265 121.764 120.570 -0.119 0.000 2.286 138 I HA -0.294 3.875 4.170 -0.002 0.000 0.248 138 I C 2.144 178.060 176.117 -0.336 0.000 1.115 138 I CA 0.971 62.166 61.300 -0.176 0.000 1.392 138 I CB -0.147 37.865 38.000 0.021 0.000 1.065 138 I HN 0.160 nan 8.210 nan 0.000 0.418 139 L N -0.202 120.818 121.223 -0.338 0.000 2.056 139 L HA -0.216 4.123 4.340 -0.002 0.000 0.207 139 L C 2.579 179.275 176.870 -0.289 0.000 1.078 139 L CA 0.986 55.620 54.840 -0.345 0.000 0.749 139 L CB -0.509 41.321 42.059 -0.382 0.000 0.901 139 L HN 0.259 nan 8.230 nan 0.000 0.433 140 L N -0.002 121.059 121.223 -0.270 0.000 2.017 140 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 140 L C 2.094 178.841 176.870 -0.205 0.000 1.073 140 L CA 1.882 56.574 54.840 -0.248 0.000 0.745 140 L CB -0.576 41.320 42.059 -0.271 0.000 0.894 140 L HN 0.201 nan 8.230 nan 0.000 0.432 141 D N -0.923 119.291 120.400 -0.309 0.000 2.144 141 D HA -0.190 4.449 4.640 -0.002 0.000 0.199 141 D C 2.258 178.236 176.300 -0.537 0.000 0.984 141 D CA 1.532 55.288 54.000 -0.407 0.000 0.834 141 D CB -0.099 40.339 40.800 -0.603 0.000 0.955 141 D HN 0.406 nan 8.370 nan 0.000 0.465 142 M N 0.121 119.343 119.600 -0.629 0.000 2.099 142 M HA -0.146 4.333 4.480 -0.002 0.000 0.262 142 M C 2.212 178.439 176.300 -0.122 0.000 1.067 142 M CA 1.182 56.241 55.300 -0.401 0.000 1.124 142 M CB -0.315 32.081 32.600 -0.340 0.000 1.353 142 M HN -0.112 nan 8.290 nan 0.000 0.410 143 E N 0.004 120.143 120.200 -0.102 0.000 2.204 143 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 143 E C 1.765 178.475 176.600 0.184 0.000 0.989 143 E CA 1.515 57.939 56.400 0.040 0.000 0.824 143 E CB -0.078 29.645 29.700 0.038 0.000 0.756 143 E HN 0.245 nan 8.360 nan 0.000 0.477 144 T N -0.991 113.653 114.554 0.149 0.000 2.851 144 T HA -0.058 4.291 4.350 -0.002 0.000 0.262 144 T C 1.640 176.429 174.700 0.149 0.000 1.043 144 T CA 1.586 63.799 62.100 0.189 0.000 1.140 144 T CB -0.360 68.620 68.868 0.187 0.000 0.872 144 T HN 0.251 nan 8.240 nan 0.000 0.446 145 T N 0.681 115.306 114.554 0.118 0.000 2.652 145 T HA -0.116 4.233 4.350 -0.002 0.000 0.267 145 T C 1.538 176.324 174.700 0.142 0.000 1.039 145 T CA 1.471 63.648 62.100 0.128 0.000 1.153 145 T CB -0.527 68.441 68.868 0.166 0.000 0.863 145 T HN 0.495 nan 8.240 nan 0.000 0.428 146 Y N 1.829 122.170 120.300 0.068 0.000 2.181 146 Y HA -0.155 4.394 4.550 -0.002 0.000 0.288 146 Y C 2.541 178.586 175.900 0.242 0.000 1.146 146 Y CA 1.425 59.600 58.100 0.124 0.000 1.164 146 Y CB -0.238 38.311 38.460 0.147 0.000 0.982 146 Y HN 0.111 nan 8.280 nan 0.000 0.515 147 S N -0.754 115.160 115.700 0.356 0.000 2.515 147 S HA -0.071 4.398 4.470 -0.002 0.000 0.231 147 S C 1.597 176.277 174.600 0.133 0.000 0.987 147 S CA 1.025 59.381 58.200 0.259 0.000 0.936 147 S CB -0.207 63.136 63.200 0.238 0.000 0.766 147 S HN 0.519 nan 8.310 nan 0.000 0.528 148 V N -2.019 117.960 119.914 0.108 0.000 3.477 148 V HA 0.600 4.718 4.120 -0.002 0.000 0.297 148 V C 0.607 176.743 176.094 0.071 0.000 1.433 148 V CA -0.277 62.068 62.300 0.074 0.000 1.052 148 V CB -0.697 31.163 31.823 0.061 0.000 0.895 148 V HN 0.268 nan 8.190 nan 0.000 0.438 149 A N 2.188 125.050 122.820 0.070 0.000 2.511 149 A HA 0.546 4.865 4.320 -0.002 0.000 0.242 149 A C 0.694 178.370 177.584 0.153 0.000 1.069 149 A CA 1.007 53.070 52.037 0.043 0.000 0.763 149 A CB -0.363 18.543 19.000 -0.157 0.000 1.001 149 A HN 0.973 nan 8.150 nan 0.000 0.498 150 T N -1.001 113.607 114.554 0.091 0.000 2.916 150 T HA 0.645 4.994 4.350 -0.002 0.000 0.292 150 T C -0.760 173.979 174.700 0.066 0.000 1.055 150 T CA -0.760 61.404 62.100 0.105 0.000 1.009 150 T CB 1.539 70.452 68.868 0.075 0.000 1.118 150 T HN 0.657 nan 8.240 nan 0.000 0.497 151 V N 1.343 121.298 119.914 0.068 0.000 2.376 151 V HA 0.418 4.537 4.120 -0.002 0.000 0.287 151 V C 0.022 176.186 176.094 0.118 0.000 1.015 151 V CA -0.855 61.429 62.300 -0.027 0.000 0.834 151 V CB 0.743 32.440 31.823 -0.209 0.000 1.001 151 V HN 1.204 nan 8.190 nan 0.000 0.428 152 c N 4.353 123.036 118.600 0.139 0.000 2.351 152 c HA 0.646 5.214 4.570 -0.002 0.000 0.359 152 c C 0.295 174.618 174.090 0.390 0.000 1.193 152 c CA -0.513 55.958 56.329 0.237 0.000 2.270 152 c CB 0.734 43.333 42.510 0.148 0.000 2.369 152 c HN 0.844 nan 8.230 nan 0.000 0.553 153 H N 0.418 119.657 119.070 0.283 0.000 2.693 153 H HA 0.419 4.974 4.556 -0.002 0.000 0.348 153 H C -2.245 173.138 175.328 0.092 0.000 1.222 153 H CA -1.634 54.530 56.048 0.194 0.000 1.270 153 H CB 1.213 30.922 29.762 -0.088 0.000 1.798 153 H HN 0.360 nan 8.280 nan 0.000 0.592 154 P HA 0.165 nan 4.420 nan 0.000 0.225 154 P C -0.183 177.024 177.300 -0.154 0.000 1.813 154 P CA 0.028 63.177 63.100 0.082 0.000 1.013 154 P CB -0.330 31.412 31.700 0.070 0.000 1.961 155 N N 0.418 119.042 118.700 -0.126 0.000 2.475 155 N HA 0.095 4.834 4.740 -0.002 0.000 0.272 155 N C 0.892 176.377 175.510 -0.043 0.000 1.482 155 N CA 0.134 53.092 53.050 -0.153 0.000 0.863 155 N CB 0.024 38.335 38.487 -0.293 0.000 1.400 155 N HN 0.241 nan 8.380 nan 0.000 0.489 156 G N 0.159 108.968 108.800 0.015 0.000 2.267 156 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.257 156 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.257 156 G C -0.201 174.736 174.900 0.061 0.000 0.998 156 G CA 0.568 45.688 45.100 0.033 0.000 0.620 156 G HN 0.472 nan 8.290 nan 0.000 0.529 157 S N 0.166 115.915 115.700 0.082 0.000 2.442 157 S HA 0.557 5.026 4.470 -0.002 0.000 0.297 157 S C 0.164 174.860 174.600 0.160 0.000 1.131 157 S CA -0.305 57.953 58.200 0.096 0.000 1.092 157 S CB 1.641 64.882 63.200 0.069 0.000 0.998 157 S HN 0.552 nan 8.310 nan 0.000 0.478 158 c N 4.697 123.375 118.600 0.131 0.000 2.295 158 c HA 0.579 5.147 4.570 -0.002 0.000 0.331 158 c C -0.027 174.143 174.090 0.134 0.000 1.280 158 c CA -0.898 55.519 56.329 0.147 0.000 1.746 158 c CB -0.729 41.842 42.510 0.102 0.000 2.328 158 c HN 0.651 nan 8.230 nan 0.000 0.521 159 L N 3.266 124.592 121.223 0.170 0.000 2.360 159 L HA 0.512 4.851 4.340 -0.002 0.000 0.271 159 L C 0.329 177.239 176.870 0.068 0.000 1.057 159 L CA 0.251 55.165 54.840 0.124 0.000 0.803 159 L CB 0.499 42.665 42.059 0.179 0.000 1.207 159 L HN 0.647 nan 8.230 nan 0.000 0.445 160 Q N 0.160 119.969 119.800 0.015 0.000 2.297 160 Q HA 0.293 4.632 4.340 -0.002 0.000 0.269 160 Q C 0.563 176.463 176.000 -0.166 0.000 1.051 160 Q CA -0.956 54.827 55.803 -0.034 0.000 0.869 160 Q CB 1.956 30.685 28.738 -0.016 0.000 1.346 160 Q HN 0.445 nan 8.270 nan 0.000 0.457 161 L N 0.989 122.012 121.223 -0.334 0.000 1.971 161 L HA -0.144 4.194 4.340 -0.002 0.000 0.215 161 L C -0.004 176.687 176.870 -0.299 0.000 1.072 161 L CA 2.034 56.521 54.840 -0.588 0.000 0.758 161 L CB -0.168 41.415 42.059 -0.793 0.000 0.889 161 L HN 0.617 nan 8.230 nan 0.000 0.433 162 E N 0.532 120.632 120.200 -0.167 0.000 2.187 162 E HA 0.299 4.648 4.350 -0.002 0.000 0.268 162 E C -2.017 174.557 176.600 -0.043 0.000 0.896 162 E CA -1.648 54.704 56.400 -0.080 0.000 0.766 162 E CB 1.492 31.171 29.700 -0.034 0.000 1.142 162 E HN 0.221 nan 8.360 nan 0.000 0.408 163 P HA 0.039 nan 4.420 nan 0.000 0.259 163 P C 0.110 177.389 177.300 -0.035 0.000 1.233 163 P CA 0.102 63.189 63.100 -0.022 0.000 0.827 163 P CB 0.679 32.383 31.700 0.006 0.000 1.154 164 D N 1.514 121.895 120.400 -0.031 0.000 2.242 164 D HA -0.180 4.459 4.640 -0.002 0.000 0.193 164 D C 2.138 178.421 176.300 -0.029 0.000 1.005 164 D CA 1.313 55.306 54.000 -0.013 0.000 0.856 164 D CB -0.813 39.994 40.800 0.011 0.000 1.001 164 D HN 0.176 nan 8.370 nan 0.000 0.452 165 L N 0.653 121.822 121.223 -0.089 0.000 2.187 165 L HA -0.152 4.187 4.340 -0.002 0.000 0.213 165 L C 2.649 179.417 176.870 -0.170 0.000 1.100 165 L CA 1.023 55.781 54.840 -0.136 0.000 0.765 165 L CB -0.487 41.390 42.059 -0.303 0.000 0.904 165 L HN 0.065 nan 8.230 nan 0.000 0.437 166 T N -1.008 113.443 114.554 -0.172 0.000 2.812 166 T HA -0.157 4.192 4.350 -0.002 0.000 0.264 166 T C 1.690 176.357 174.700 -0.055 0.000 1.042 166 T CA 1.549 63.572 62.100 -0.128 0.000 1.140 166 T CB -0.224 68.595 68.868 -0.082 0.000 0.870 166 T HN 0.298 nan 8.240 nan 0.000 0.445 167 N N 0.709 119.391 118.700 -0.031 0.000 2.244 167 N HA -0.072 4.667 4.740 -0.002 0.000 0.183 167 N C 1.656 177.171 175.510 0.008 0.000 1.016 167 N CA 0.742 53.791 53.050 -0.002 0.000 0.866 167 N CB -0.294 38.198 38.487 0.007 0.000 0.980 167 N HN 0.127 nan 8.380 nan 0.000 0.430 168 V N 0.562 120.483 119.914 0.012 0.000 2.358 168 V HA -0.189 3.929 4.120 -0.002 0.000 0.246 168 V C 2.221 178.332 176.094 0.027 0.000 1.047 168 V CA 1.242 63.566 62.300 0.041 0.000 1.035 168 V CB -0.426 31.452 31.823 0.091 0.000 0.658 168 V HN 0.406 nan 8.190 nan 0.000 0.452 169 M N -0.303 119.294 119.600 -0.006 0.000 2.296 169 M HA -0.028 4.451 4.480 -0.002 0.000 0.265 169 M C 2.182 178.478 176.300 -0.006 0.000 1.064 169 M CA 1.896 57.186 55.300 -0.017 0.000 1.109 169 M CB -1.311 31.248 32.600 -0.067 0.000 1.396 169 M HN 0.416 nan 8.290 nan 0.000 0.430 170 A N -0.321 122.501 122.820 0.004 0.000 2.044 170 A HA -0.003 4.316 4.320 -0.002 0.000 0.213 170 A C 2.181 179.778 177.584 0.021 0.000 1.169 170 A CA 1.599 53.648 52.037 0.020 0.000 0.724 170 A CB -0.497 18.519 19.000 0.027 0.000 0.840 170 A HN 0.532 nan 8.150 nan 0.000 0.463 171 T N -4.163 110.403 114.554 0.019 0.000 3.000 171 T HA 0.196 4.545 4.350 -0.002 0.000 0.248 171 T C 1.055 175.768 174.700 0.022 0.000 1.034 171 T CA 0.681 62.793 62.100 0.020 0.000 1.060 171 T CB -0.432 68.448 68.868 0.020 0.000 0.983 171 T HN 0.201 nan 8.240 nan 0.000 0.482 172 S N 1.112 116.832 115.700 0.033 0.000 2.572 172 S HA 0.323 4.791 4.470 -0.002 0.000 0.279 172 S C 0.533 175.174 174.600 0.069 0.000 1.341 172 S CA -0.588 57.643 58.200 0.052 0.000 1.043 172 S CB 0.186 63.426 63.200 0.067 0.000 0.887 172 S HN 0.341 nan 8.310 nan 0.000 0.516 173 R N 2.781 123.343 120.500 0.102 0.000 2.642 173 R HA 0.214 4.553 4.340 -0.002 0.000 0.435 173 R C -0.821 175.674 176.300 0.325 0.000 1.046 173 R CA -0.135 56.069 56.100 0.175 0.000 1.103 173 R CB 0.384 30.692 30.300 0.014 0.000 1.425 173 R HN 0.532 nan 8.270 nan 0.000 0.586 174 K N 0.669 121.216 120.400 0.245 0.000 2.367 174 K HA 0.177 4.496 4.320 -0.002 0.000 0.263 174 K C 0.156 176.895 176.600 0.231 0.000 1.000 174 K CA -0.467 55.962 56.287 0.236 0.000 0.891 174 K CB 1.567 34.149 32.500 0.137 0.000 1.117 174 K HN -0.079 nan 8.250 nan 0.000 0.443 175 Y N 3.068 123.447 120.300 0.131 0.000 2.062 175 Y HA -0.375 4.175 4.550 -0.001 0.000 0.276 175 Y C 1.871 177.804 175.900 0.054 0.000 1.189 175 Y CA 2.014 60.114 58.100 0.000 0.000 1.130 175 Y CB 0.372 38.752 38.460 -0.134 0.000 0.959 175 Y HN 0.616 nan 8.280 nan 0.000 0.499 176 E N -0.200 120.155 120.200 0.258 0.000 2.150 176 E HA -0.169 4.180 4.350 -0.002 0.000 0.193 176 E C 1.714 178.419 176.600 0.175 0.000 0.985 176 E CA 1.358 57.873 56.400 0.192 0.000 0.814 176 E CB -0.315 29.479 29.700 0.158 0.000 0.752 176 E HN 0.624 nan 8.360 nan 0.000 0.466 177 D N 0.660 121.154 120.400 0.156 0.000 2.103 177 D HA -0.059 4.580 4.640 -0.002 0.000 0.199 177 D C 2.215 178.651 176.300 0.226 0.000 0.978 177 D CA 0.542 54.646 54.000 0.174 0.000 0.829 177 D CB -0.298 40.571 40.800 0.114 0.000 0.981 177 D HN 0.130 nan 8.370 nan 0.000 0.464 178 L N 0.201 121.511 121.223 0.144 0.000 2.083 178 L HA -0.132 4.207 4.340 -0.002 0.000 0.209 178 L C 2.287 179.252 176.870 0.159 0.000 1.083 178 L CA 0.403 55.318 54.840 0.126 0.000 0.752 178 L CB -0.295 41.774 42.059 0.017 0.000 0.899 178 L HN 0.084 nan 8.230 nan 0.000 0.433 179 L N -0.749 120.517 121.223 0.071 0.000 2.083 179 L HA -0.205 4.134 4.340 -0.002 0.000 0.209 179 L C 2.203 179.148 176.870 0.125 0.000 1.083 179 L CA 1.687 56.499 54.840 -0.047 0.000 0.752 179 L CB -0.750 41.202 42.059 -0.179 0.000 0.899 179 L HN 0.325 nan 8.230 nan 0.000 0.433 180 W N 0.258 121.565 121.300 0.012 0.000 2.355 180 W HA -0.187 4.471 4.660 -0.002 0.000 0.309 180 W C 2.313 178.825 176.519 -0.012 0.000 1.206 180 W CA 2.618 59.958 57.345 -0.009 0.000 1.284 180 W CB -0.364 29.080 29.460 -0.027 0.000 1.145 180 W HN 0.233 nan 8.180 nan 0.000 0.502 181 A N -0.664 122.241 122.820 0.141 0.000 1.872 181 A HA -0.175 4.144 4.320 -0.002 0.000 0.214 181 A C 1.740 179.256 177.584 -0.114 0.000 1.187 181 A CA 1.445 53.435 52.037 -0.077 0.000 0.614 181 A CB -1.739 17.355 19.000 0.155 0.000 0.826 181 A HN 0.598 nan 8.150 nan 0.000 0.442 182 W N 0.925 122.139 121.300 -0.143 0.000 2.333 182 W HA -0.215 4.444 4.660 -0.002 0.000 0.316 182 W C 2.121 178.561 176.519 -0.133 0.000 1.215 182 W CA 2.305 59.574 57.345 -0.126 0.000 1.278 182 W CB -0.073 29.330 29.460 -0.096 0.000 1.154 182 W HN 0.414 nan 8.180 nan 0.000 0.486 183 E N -0.270 119.951 120.200 0.036 0.000 2.072 183 E HA -0.054 4.295 4.350 -0.002 0.000 0.191 183 E C 2.411 178.812 176.600 -0.333 0.000 0.985 183 E CA 2.144 58.462 56.400 -0.136 0.000 0.801 183 E CB -1.126 28.578 29.700 0.006 0.000 0.750 183 E HN 0.202 nan 8.360 nan 0.000 0.452 184 G N 0.824 109.354 108.800 -0.450 0.000 2.446 184 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.217 184 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.217 184 G C 1.490 176.172 174.900 -0.365 0.000 1.168 184 G CA 0.812 45.576 45.100 -0.561 0.000 0.771 184 G HN 0.502 nan 8.290 nan 0.000 0.551 185 W N 1.344 122.341 121.300 -0.505 0.000 2.342 185 W HA -0.073 4.586 4.660 -0.002 0.000 0.297 185 W C 2.603 178.895 176.519 -0.378 0.000 1.213 185 W CA 1.108 58.201 57.345 -0.421 0.000 1.251 185 W CB 0.040 29.233 29.460 -0.444 0.000 1.136 185 W HN 0.181 nan 8.180 nan 0.000 0.526 186 R N 0.105 120.286 120.500 -0.532 0.000 2.115 186 R HA -0.125 4.214 4.340 -0.002 0.000 0.226 186 R C 1.737 177.780 176.300 -0.428 0.000 1.100 186 R CA 1.681 57.442 56.100 -0.566 0.000 0.980 186 R CB -0.433 29.523 30.300 -0.573 0.000 0.875 186 R HN 0.021 nan 8.270 nan 0.000 0.445 187 D N 0.403 120.588 120.400 -0.358 0.000 2.117 187 D HA -0.127 4.512 4.640 -0.002 0.000 0.197 187 D C 1.595 177.736 176.300 -0.265 0.000 0.987 187 D CA 1.219 55.064 54.000 -0.259 0.000 0.829 187 D CB 0.123 40.787 40.800 -0.228 0.000 0.961 187 D HN -0.057 nan 8.370 nan 0.000 0.460 188 K N 0.697 120.890 120.400 -0.345 0.000 1.991 188 K HA 0.162 4.481 4.320 -0.002 0.000 0.208 188 K C 1.964 178.312 176.600 -0.421 0.000 1.038 188 K CA 1.184 57.270 56.287 -0.335 0.000 0.943 188 K CB -1.001 31.308 32.500 -0.319 0.000 0.736 188 K HN 0.043 nan 8.250 nan 0.000 0.440 189 A N 0.491 122.846 122.820 -0.775 0.000 1.855 189 A HA 0.064 4.383 4.320 -0.002 0.000 0.213 189 A C 2.375 179.704 177.584 -0.425 0.000 1.195 189 A CA 1.865 53.440 52.037 -0.770 0.000 0.610 189 A CB -1.352 16.693 19.000 -1.591 0.000 0.837 189 A HN 0.329 nan 8.150 nan 0.000 0.444 190 G N 0.123 108.629 108.800 -0.489 0.000 2.679 190 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.217 190 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.217 190 G C 1.657 176.511 174.900 -0.076 0.000 1.267 190 G CA 1.092 46.027 45.100 -0.275 0.000 0.799 190 G HN 0.420 nan 8.290 nan 0.000 0.606 191 R N 0.850 121.284 120.500 -0.109 0.000 2.133 191 R HA -0.174 4.165 4.340 -0.002 0.000 0.245 191 R C 2.932 179.214 176.300 -0.030 0.000 1.137 191 R CA 1.627 57.700 56.100 -0.046 0.000 0.947 191 R CB -1.429 28.820 30.300 -0.086 0.000 0.865 191 R HN 0.385 nan 8.270 nan 0.000 0.437 192 A N 1.159 123.946 122.820 -0.055 0.000 2.076 192 A HA -0.119 4.200 4.320 -0.002 0.000 0.220 192 A C 2.032 179.670 177.584 0.091 0.000 1.160 192 A CA 1.205 53.237 52.037 -0.009 0.000 0.653 192 A CB -0.316 18.677 19.000 -0.011 0.000 0.801 192 A HN 0.141 nan 8.150 nan 0.000 0.455 193 I N -0.862 119.793 120.570 0.140 0.000 3.226 193 I HA -0.041 4.128 4.170 -0.002 0.000 0.277 193 I C 2.093 178.283 176.117 0.122 0.000 1.243 193 I CA 0.478 61.945 61.300 0.277 0.000 1.459 193 I CB -0.870 37.300 38.000 0.283 0.000 1.093 193 I HN 0.317 nan 8.210 nan 0.000 0.453 194 L N 1.997 123.187 121.223 -0.055 0.000 2.042 194 L HA -0.229 4.110 4.340 -0.002 0.000 0.210 194 L C 2.638 179.399 176.870 -0.181 0.000 1.076 194 L CA 2.036 56.688 54.840 -0.314 0.000 0.749 194 L CB -0.891 41.065 42.059 -0.172 0.000 0.893 194 L HN 0.456 nan 8.230 nan 0.000 0.432 195 Q N -2.182 117.493 119.800 -0.208 0.000 2.297 195 Q HA -0.224 4.115 4.340 -0.002 0.000 0.208 195 Q C 1.958 177.804 176.000 -0.257 0.000 0.981 195 Q CA 2.031 57.667 55.803 -0.279 0.000 0.876 195 Q CB -0.711 27.762 28.738 -0.441 0.000 0.921 195 Q HN 0.534 nan 8.270 nan 0.000 0.446 196 F N -0.907 119.064 119.950 0.034 0.000 2.317 196 F HA 0.005 4.531 4.527 -0.002 0.000 0.293 196 F C 2.052 177.933 175.800 0.135 0.000 1.085 196 F CA 0.426 58.471 58.000 0.075 0.000 1.390 196 F CB -0.127 38.915 39.000 0.070 0.000 1.077 196 F HN -0.004 nan 8.300 nan 0.000 0.517 197 Y N 1.543 121.930 120.300 0.144 0.000 2.200 197 Y HA -0.066 4.483 4.550 -0.002 0.000 0.290 197 Y C -0.838 175.231 175.900 0.281 0.000 1.137 197 Y CA 1.219 59.419 58.100 0.167 0.000 1.163 197 Y CB -1.656 36.697 38.460 -0.180 0.000 0.988 197 Y HN -0.093 nan 8.280 nan 0.000 0.518 198 P HA -0.205 nan 4.420 nan 0.000 0.216 198 P C 1.376 178.758 177.300 0.136 0.000 1.153 198 P CA 2.139 65.389 63.100 0.251 0.000 0.858 198 P CB 0.045 31.853 31.700 0.179 0.000 0.789 199 K N -1.163 119.325 120.400 0.147 0.000 2.097 199 K HA -0.167 4.151 4.320 -0.002 0.000 0.205 199 K C 2.168 178.850 176.600 0.137 0.000 1.050 199 K CA 1.133 57.495 56.287 0.125 0.000 0.938 199 K CB -1.434 31.157 32.500 0.152 0.000 0.718 199 K HN 0.062 nan 8.250 nan 0.000 0.442 200 Y N 0.198 120.529 120.300 0.052 0.000 2.128 200 Y HA -0.225 4.324 4.550 -0.002 0.000 0.284 200 Y C 1.637 177.538 175.900 0.001 0.000 1.154 200 Y CA 1.801 59.928 58.100 0.044 0.000 1.149 200 Y CB -0.567 37.829 38.460 -0.107 0.000 0.976 200 Y HN -0.128 nan 8.280 nan 0.000 0.505 201 V N 1.185 120.882 119.914 -0.361 0.000 2.407 201 V HA -0.277 3.842 4.120 -0.002 0.000 0.248 201 V C 2.471 178.421 176.094 -0.241 0.000 1.055 201 V CA 2.214 64.305 62.300 -0.350 0.000 1.049 201 V CB -0.769 31.017 31.823 -0.062 0.000 0.662 201 V HN 0.558 nan 8.190 nan 0.000 0.455 202 E N 0.228 120.351 120.200 -0.129 0.000 2.051 202 E HA -0.212 4.137 4.350 -0.002 0.000 0.192 202 E C 2.248 178.742 176.600 -0.176 0.000 0.991 202 E CA 1.464 57.799 56.400 -0.109 0.000 0.799 202 E CB -0.131 29.543 29.700 -0.043 0.000 0.748 202 E HN 0.563 nan 8.360 nan 0.000 0.449 203 L N 0.824 121.942 121.223 -0.176 0.000 2.093 203 L HA -0.115 4.224 4.340 -0.002 0.000 0.208 203 L C 2.697 179.257 176.870 -0.518 0.000 1.085 203 L CA 0.719 55.400 54.840 -0.265 0.000 0.755 203 L CB -0.216 41.773 42.059 -0.116 0.000 0.904 203 L HN 0.303 nan 8.230 nan 0.000 0.435 204 I N -0.252 119.967 120.570 -0.585 0.000 2.761 204 I HA -0.200 3.969 4.170 -0.002 0.000 0.261 204 I C 1.936 177.697 176.117 -0.593 0.000 1.198 204 I CA 0.755 61.650 61.300 -0.675 0.000 1.482 204 I CB -0.046 37.537 38.000 -0.695 0.000 1.100 204 I HN 0.358 nan 8.210 nan 0.000 0.445 205 N N 0.490 118.894 118.700 -0.494 0.000 2.290 205 N HA -0.175 4.564 4.740 -0.002 0.000 0.179 205 N C 1.657 177.004 175.510 -0.272 0.000 1.016 205 N CA 0.826 53.641 53.050 -0.391 0.000 0.871 205 N CB -0.176 38.147 38.487 -0.273 0.000 0.987 205 N HN 0.469 nan 8.380 nan 0.000 0.431 206 Q N 0.737 120.389 119.800 -0.247 0.000 2.020 206 Q HA -0.054 4.284 4.340 -0.002 0.000 0.202 206 Q C 1.888 177.776 176.000 -0.186 0.000 0.982 206 Q CA 1.653 57.346 55.803 -0.183 0.000 0.838 206 Q CB -0.077 28.561 28.738 -0.167 0.000 0.899 206 Q HN 0.318 nan 8.270 nan 0.000 0.423 207 A N 0.723 123.387 122.820 -0.260 0.000 1.917 207 A HA -0.203 4.116 4.320 -0.002 0.000 0.219 207 A C 2.235 179.729 177.584 -0.150 0.000 1.182 207 A CA 1.914 53.816 52.037 -0.225 0.000 0.633 207 A CB -0.961 17.837 19.000 -0.337 0.000 0.819 207 A HN 0.564 nan 8.150 nan 0.000 0.448 208 A N -0.398 122.306 122.820 -0.193 0.000 1.873 208 A HA -0.142 4.177 4.320 -0.002 0.000 0.215 208 A C 2.240 179.836 177.584 0.019 0.000 1.186 208 A CA 1.442 53.416 52.037 -0.105 0.000 0.616 208 A CB -0.468 18.379 19.000 -0.255 0.000 0.823 208 A HN 0.536 nan 8.150 nan 0.000 0.442 209 R N -0.605 119.863 120.500 -0.054 0.000 2.120 209 R HA 0.014 4.353 4.340 -0.002 0.000 0.234 209 R C 1.780 178.060 176.300 -0.033 0.000 1.123 209 R CA 1.104 57.183 56.100 -0.036 0.000 0.975 209 R CB -0.433 29.829 30.300 -0.064 0.000 0.866 209 R HN 0.488 nan 8.270 nan 0.000 0.446 210 L N 0.709 121.906 121.223 -0.043 0.000 2.465 210 L HA -0.074 4.265 4.340 -0.002 0.000 0.224 210 L C 1.097 177.957 176.870 -0.016 0.000 1.145 210 L CA 0.676 55.492 54.840 -0.038 0.000 0.834 210 L CB -0.122 41.906 42.059 -0.051 0.000 0.944 210 L HN 0.204 nan 8.230 nan 0.000 0.451 211 N N -0.276 118.438 118.700 0.024 0.000 2.214 211 N HA 0.107 4.846 4.740 -0.002 0.000 0.214 211 N C 1.167 176.640 175.510 -0.062 0.000 1.132 211 N CA 0.872 53.952 53.050 0.049 0.000 0.856 211 N CB 1.342 39.930 38.487 0.168 0.000 1.020 211 N HN 0.329 nan 8.380 nan 0.000 0.509 212 G N 0.242 108.981 108.800 -0.102 0.000 2.176 212 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.232 212 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.232 212 G C -0.297 174.406 174.900 -0.328 0.000 0.986 212 G CA -0.184 44.775 45.100 -0.235 0.000 0.643 212 G HN 0.312 nan 8.290 nan 0.000 0.522 213 Y N -1.004 119.259 120.300 -0.061 0.000 2.519 213 Y HA 0.550 5.099 4.550 -0.002 0.000 0.324 213 Y C 1.695 177.541 175.900 -0.090 0.000 1.214 213 Y CA -0.318 57.739 58.100 -0.072 0.000 1.260 213 Y CB 1.404 39.812 38.460 -0.086 0.000 1.311 213 Y HN -0.103 nan 8.280 nan 0.000 0.505 214 V N 0.133 120.100 119.914 0.088 0.000 2.591 214 V HA -0.072 4.047 4.120 -0.002 0.000 0.249 214 V C -0.349 175.720 176.094 -0.041 0.000 1.053 214 V CA 2.068 64.370 62.300 0.003 0.000 1.068 214 V CB -0.759 31.059 31.823 -0.008 0.000 0.689 214 V HN 0.975 nan 8.190 nan 0.000 0.462 215 D N -3.941 116.413 120.400 -0.076 0.000 2.738 215 D HA 0.435 5.073 4.640 -0.002 0.000 0.308 215 D C 0.560 176.641 176.300 -0.366 0.000 1.311 215 D CA 0.031 53.913 54.000 -0.196 0.000 0.799 215 D CB 0.898 41.614 40.800 -0.141 0.000 1.332 215 D HN -0.049 nan 8.370 nan 0.000 0.441 216 A N -0.076 122.323 122.820 -0.701 0.000 1.940 216 A HA 0.104 4.423 4.320 -0.002 0.000 0.219 216 A C 2.064 179.043 177.584 -1.008 0.000 1.176 216 A CA 2.343 53.683 52.037 -1.160 0.000 0.631 216 A CB -1.629 16.046 19.000 -2.208 0.000 0.814 216 A HN 0.698 nan 8.150 nan 0.000 0.446 217 G N -0.283 108.221 108.800 -0.493 0.000 2.418 217 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.217 217 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.217 217 G C 1.302 176.077 174.900 -0.209 0.000 1.158 217 G CA 1.407 46.484 45.100 -0.038 0.000 0.771 217 G HN 0.567 nan 8.290 nan 0.000 0.545 218 D N 0.381 120.644 120.400 -0.229 0.000 2.117 218 D HA -0.136 4.503 4.640 -0.002 0.000 0.197 218 D C 2.599 178.767 176.300 -0.220 0.000 0.987 218 D CA 1.613 55.520 54.000 -0.154 0.000 0.829 218 D CB -0.388 40.392 40.800 -0.033 0.000 0.961 218 D HN 0.219 nan 8.370 nan 0.000 0.460 219 S N -1.073 114.327 115.700 -0.500 0.000 2.351 219 S HA -0.165 4.304 4.470 -0.002 0.000 0.220 219 S C 1.897 176.360 174.600 -0.227 0.000 1.035 219 S CA 1.562 59.211 58.200 -0.919 0.000 1.031 219 S CB -0.710 62.032 63.200 -0.764 0.000 0.928 219 S HN 0.440 nan 8.310 nan 0.000 0.433 220 W N 1.983 123.167 121.300 -0.193 0.000 2.321 220 W HA 0.043 4.702 4.660 -0.002 0.000 0.306 220 W C 2.701 179.298 176.519 0.131 0.000 1.217 220 W CA 0.607 57.969 57.345 0.030 0.000 1.257 220 W CB -1.105 28.489 29.460 0.224 0.000 1.145 220 W HN 0.408 nan 8.180 nan 0.000 0.509 221 R N 0.301 120.974 120.500 0.287 0.000 2.148 221 R HA -0.105 4.234 4.340 -0.002 0.000 0.227 221 R C 2.260 178.724 176.300 0.273 0.000 1.103 221 R CA 1.638 57.866 56.100 0.214 0.000 0.983 221 R CB -0.778 29.424 30.300 -0.164 0.000 0.874 221 R HN 0.178 nan 8.270 nan 0.000 0.451 222 S N 0.401 116.214 115.700 0.189 0.000 2.474 222 S HA -0.085 4.384 4.470 -0.002 0.000 0.235 222 S C 1.903 176.657 174.600 0.257 0.000 0.997 222 S CA 0.632 58.978 58.200 0.243 0.000 0.949 222 S CB -0.128 63.259 63.200 0.312 0.000 0.766 222 S HN 0.220 nan 8.310 nan 0.000 0.517 223 M N -0.174 119.544 119.600 0.196 0.000 2.346 223 M HA -0.055 4.423 4.480 -0.002 0.000 0.263 223 M C 1.022 177.332 176.300 0.016 0.000 1.064 223 M CA 1.412 56.725 55.300 0.022 0.000 1.083 223 M CB -0.501 32.002 32.600 -0.161 0.000 1.399 223 M HN 0.412 nan 8.290 nan 0.000 0.435 224 Y N 0.218 120.658 120.300 0.233 0.000 2.500 224 Y HA 0.036 4.585 4.550 -0.002 0.000 0.270 224 Y C 0.586 176.754 175.900 0.446 0.000 1.134 224 Y CA 0.052 58.345 58.100 0.322 0.000 1.293 224 Y CB -0.049 38.563 38.460 0.254 0.000 1.063 224 Y HN 0.255 nan 8.280 nan 0.000 0.534 225 E N 0.377 120.849 120.200 0.453 0.000 2.360 225 E HA -0.207 4.142 4.350 -0.002 0.000 0.238 225 E C -0.642 176.155 176.600 0.329 0.000 1.186 225 E CA 0.827 57.430 56.400 0.339 0.000 0.719 225 E CB -2.081 27.790 29.700 0.285 0.000 1.236 225 E HN 0.216 nan 8.360 nan 0.000 0.386 226 T N -0.219 114.550 114.554 0.359 0.000 3.038 226 T HA 0.266 4.615 4.350 -0.002 0.000 0.344 226 T C -1.803 173.022 174.700 0.208 0.000 1.054 226 T CA -1.206 61.085 62.100 0.318 0.000 1.092 226 T CB 1.668 70.830 68.868 0.491 0.000 1.031 226 T HN -0.168 nan 8.240 nan 0.000 0.482 227 P HA -0.169 nan 4.420 nan 0.000 0.217 227 P C 1.500 178.852 177.300 0.087 0.000 1.158 227 P CA 1.113 64.271 63.100 0.097 0.000 0.887 227 P CB 0.089 31.834 31.700 0.077 0.000 0.792 228 S N -1.796 113.970 115.700 0.111 0.000 2.701 228 S HA 0.024 4.493 4.470 -0.002 0.000 0.220 228 S C 1.587 176.260 174.600 0.122 0.000 0.954 228 S CA -0.179 58.086 58.200 0.108 0.000 0.936 228 S CB -1.214 62.057 63.200 0.118 0.000 0.777 228 S HN -0.066 nan 8.310 nan 0.000 0.518 229 L N 2.698 123.993 121.223 0.120 0.000 1.991 229 L HA -0.214 4.125 4.340 -0.002 0.000 0.221 229 L C 2.411 179.332 176.870 0.084 0.000 1.079 229 L CA 2.070 56.969 54.840 0.098 0.000 0.778 229 L CB -0.945 41.137 42.059 0.038 0.000 0.893 229 L HN 0.322 nan 8.230 nan 0.000 0.437 230 E N -0.671 119.546 120.200 0.029 0.000 2.086 230 E HA -0.326 4.023 4.350 -0.002 0.000 0.200 230 E C 1.982 178.663 176.600 0.135 0.000 1.012 230 E CA 2.041 58.479 56.400 0.063 0.000 0.812 230 E CB -0.263 29.432 29.700 -0.009 0.000 0.743 230 E HN 0.800 nan 8.360 nan 0.000 0.453 231 Q N 0.522 120.393 119.800 0.117 0.000 2.245 231 Q HA -0.075 4.264 4.340 -0.002 0.000 0.201 231 Q C 1.526 177.621 176.000 0.158 0.000 0.955 231 Q CA 0.955 56.839 55.803 0.133 0.000 0.870 231 Q CB 0.028 28.830 28.738 0.106 0.000 0.945 231 Q HN 0.091 nan 8.270 nan 0.000 0.461 232 D N 1.551 122.050 120.400 0.166 0.000 2.084 232 D HA -0.110 4.529 4.640 -0.002 0.000 0.194 232 D C 1.956 178.392 176.300 0.227 0.000 0.990 232 D CA 1.065 55.179 54.000 0.190 0.000 0.826 232 D CB -0.122 40.805 40.800 0.210 0.000 0.971 232 D HN 0.219 nan 8.370 nan 0.000 0.453 233 L N 0.373 121.754 121.223 0.263 0.000 2.083 233 L HA -0.153 4.186 4.340 -0.002 0.000 0.209 233 L C 2.367 179.439 176.870 0.336 0.000 1.083 233 L CA 1.030 56.099 54.840 0.383 0.000 0.752 233 L CB -0.398 41.877 42.059 0.360 0.000 0.899 233 L HN -0.014 nan 8.230 nan 0.000 0.433 234 E N 0.464 120.831 120.200 0.279 0.000 2.204 234 E HA -0.170 4.179 4.350 -0.002 0.000 0.194 234 E C 2.284 178.997 176.600 0.189 0.000 0.989 234 E CA 1.022 57.554 56.400 0.220 0.000 0.824 234 E CB 0.088 29.931 29.700 0.238 0.000 0.756 234 E HN 0.214 nan 8.360 nan 0.000 0.477 235 R N -0.380 120.228 120.500 0.179 0.000 2.062 235 R HA -0.024 4.315 4.340 -0.002 0.000 0.229 235 R C 2.436 178.817 176.300 0.134 0.000 1.128 235 R CA 1.335 57.519 56.100 0.141 0.000 0.960 235 R CB -0.358 30.021 30.300 0.130 0.000 0.855 235 R HN 0.244 nan 8.270 nan 0.000 0.432 236 L N -0.228 121.103 121.223 0.181 0.000 1.990 236 L HA -0.253 4.086 4.340 -0.002 0.000 0.213 236 L C 2.362 179.327 176.870 0.158 0.000 1.072 236 L CA 1.492 56.435 54.840 0.172 0.000 0.755 236 L CB -0.642 41.565 42.059 0.246 0.000 0.889 236 L HN 0.156 nan 8.230 nan 0.000 0.432 237 F N 0.781 120.769 119.950 0.063 0.000 2.043 237 F HA -0.326 4.199 4.527 -0.002 0.000 0.297 237 F C 2.806 178.549 175.800 -0.095 0.000 1.118 237 F CA 1.832 59.746 58.000 -0.143 0.000 1.202 237 F CB -0.403 38.105 39.000 -0.821 0.000 0.965 237 F HN 0.062 nan 8.300 nan 0.000 0.482 238 Q N 0.748 120.510 119.800 -0.063 0.000 2.112 238 Q HA -0.239 4.100 4.340 -0.002 0.000 0.206 238 Q C 2.225 178.145 176.000 -0.134 0.000 0.987 238 Q CA 2.022 57.764 55.803 -0.103 0.000 0.858 238 Q CB -0.691 28.075 28.738 0.046 0.000 0.905 238 Q HN 0.618 nan 8.270 nan 0.000 0.420 239 E N -0.050 120.107 120.200 -0.071 0.000 2.118 239 E HA -0.151 4.198 4.350 -0.002 0.000 0.195 239 E C 1.585 178.129 176.600 -0.093 0.000 0.992 239 E CA 0.692 57.060 56.400 -0.053 0.000 0.804 239 E CB -0.040 29.652 29.700 -0.012 0.000 0.741 239 E HN 0.298 nan 8.360 nan 0.000 0.458 240 L N 1.267 122.394 121.223 -0.160 0.000 2.627 240 L HA -0.035 4.304 4.340 -0.002 0.000 0.232 240 L C 2.209 178.961 176.870 -0.196 0.000 1.150 240 L CA -0.102 54.638 54.840 -0.165 0.000 0.917 240 L CB 0.116 42.071 42.059 -0.173 0.000 1.104 240 L HN 0.001 nan 8.230 nan 0.000 0.445 241 Q N 0.237 119.901 119.800 -0.227 0.000 2.020 241 Q HA -0.105 4.234 4.340 -0.002 0.000 0.198 241 Q C -0.275 175.702 176.000 -0.039 0.000 0.974 241 Q CA 1.556 57.256 55.803 -0.172 0.000 0.829 241 Q CB -1.123 27.503 28.738 -0.186 0.000 0.894 241 Q HN 0.355 nan 8.270 nan 0.000 0.433 242 P HA -0.161 nan 4.420 nan 0.000 0.215 242 P C 1.554 178.856 177.300 0.002 0.000 1.157 242 P CA 0.853 63.946 63.100 -0.012 0.000 0.868 242 P CB -0.103 31.590 31.700 -0.013 0.000 0.788 243 L N -1.674 119.544 121.223 -0.008 0.000 2.042 243 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 243 L C 2.341 179.217 176.870 0.011 0.000 1.076 243 L CA 1.886 56.714 54.840 -0.020 0.000 0.749 243 L CB -1.665 40.359 42.059 -0.058 0.000 0.893 243 L HN -0.029 nan 8.230 nan 0.000 0.432 244 Y N -0.628 119.624 120.300 -0.080 0.000 2.184 244 Y HA -0.166 4.383 4.550 -0.002 0.000 0.290 244 Y C 2.334 178.300 175.900 0.111 0.000 1.129 244 Y CA 1.559 59.644 58.100 -0.026 0.000 1.144 244 Y CB -0.340 38.095 38.460 -0.042 0.000 0.995 244 Y HN 0.139 nan 8.280 nan 0.000 0.513 245 L N 0.277 121.500 121.223 -0.000 0.000 2.127 245 L HA -0.282 4.057 4.340 -0.002 0.000 0.211 245 L C 2.124 179.018 176.870 0.039 0.000 1.089 245 L CA 1.444 56.287 54.840 0.005 0.000 0.757 245 L CB -0.587 41.495 42.059 0.039 0.000 0.899 245 L HN 0.323 nan 8.230 nan 0.000 0.434 246 N N -0.206 118.510 118.700 0.026 0.000 2.300 246 N HA -0.108 4.631 4.740 -0.002 0.000 0.179 246 N C 1.799 177.365 175.510 0.094 0.000 1.016 246 N CA 0.846 53.929 53.050 0.055 0.000 0.876 246 N CB 0.110 38.613 38.487 0.027 0.000 0.979 246 N HN 0.200 nan 8.380 nan 0.000 0.432 247 L N 1.067 122.319 121.223 0.048 0.000 2.095 247 L HA -0.070 4.269 4.340 -0.002 0.000 0.204 247 L C 2.354 179.360 176.870 0.226 0.000 1.080 247 L CA 1.649 56.560 54.840 0.119 0.000 0.759 247 L CB -0.916 41.155 42.059 0.019 0.000 0.914 247 L HN 0.239 nan 8.230 nan 0.000 0.439 248 H N -0.078 118.966 119.070 -0.042 0.000 2.319 248 H HA -0.159 4.396 4.556 -0.002 0.000 0.299 248 H C 1.857 177.236 175.328 0.085 0.000 1.092 248 H CA 1.847 57.922 56.048 0.044 0.000 1.302 248 H CB 0.148 29.765 29.762 -0.240 0.000 1.373 248 H HN 0.453 nan 8.280 nan 0.000 0.497 249 A N 0.224 123.179 122.820 0.225 0.000 1.930 249 A HA -0.205 4.114 4.320 -0.002 0.000 0.217 249 A C 2.371 180.013 177.584 0.097 0.000 1.175 249 A CA 1.368 53.500 52.037 0.158 0.000 0.627 249 A CB -1.170 17.936 19.000 0.175 0.000 0.815 249 A HN 0.652 nan 8.150 nan 0.000 0.443 250 Y N 0.223 120.546 120.300 0.037 0.000 2.263 250 Y HA -0.085 4.464 4.550 -0.002 0.000 0.292 250 Y C 2.152 178.065 175.900 0.022 0.000 1.130 250 Y CA 1.734 59.857 58.100 0.039 0.000 1.179 250 Y CB -0.074 38.445 38.460 0.098 0.000 0.998 250 Y HN 0.054 nan 8.280 nan 0.000 0.532 251 V N 0.936 120.880 119.914 0.049 0.000 2.591 251 V HA -0.188 3.931 4.120 -0.002 0.000 0.249 251 V C 2.449 178.421 176.094 -0.203 0.000 1.053 251 V CA 1.952 64.212 62.300 -0.067 0.000 1.068 251 V CB -0.620 31.262 31.823 0.099 0.000 0.689 251 V HN 0.339 nan 8.190 nan 0.000 0.462 252 R N 0.397 120.758 120.500 -0.231 0.000 2.148 252 R HA -0.183 4.156 4.340 -0.002 0.000 0.227 252 R C 2.385 178.606 176.300 -0.130 0.000 1.103 252 R CA 1.432 57.394 56.100 -0.230 0.000 0.983 252 R CB -0.111 30.034 30.300 -0.259 0.000 0.874 252 R HN 0.374 nan 8.270 nan 0.000 0.451 253 R N 0.609 121.008 120.500 -0.169 0.000 2.073 253 R HA 0.048 4.387 4.340 -0.002 0.000 0.229 253 R C 1.936 178.136 176.300 -0.166 0.000 1.120 253 R CA 1.839 57.826 56.100 -0.188 0.000 0.967 253 R CB -0.703 29.436 30.300 -0.267 0.000 0.862 253 R HN 0.255 nan 8.270 nan 0.000 0.436 254 A N 0.702 123.363 122.820 -0.264 0.000 1.902 254 A HA -0.081 4.238 4.320 -0.002 0.000 0.217 254 A C 2.256 179.789 177.584 -0.085 0.000 1.181 254 A CA 1.556 53.457 52.037 -0.227 0.000 0.623 254 A CB -0.657 18.161 19.000 -0.304 0.000 0.818 254 A HN 0.368 nan 8.150 nan 0.000 0.443 255 L N -1.375 119.823 121.223 -0.041 0.000 2.201 255 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 255 L C 2.646 179.611 176.870 0.159 0.000 1.105 255 L CA 1.282 56.185 54.840 0.105 0.000 0.775 255 L CB -0.606 41.482 42.059 0.049 0.000 0.913 255 L HN 0.615 nan 8.230 nan 0.000 0.440 256 H N 0.683 119.746 119.070 -0.012 0.000 2.428 256 H HA -0.106 4.449 4.556 -0.002 0.000 0.296 256 H C 2.334 177.645 175.328 -0.029 0.000 1.062 256 H CA 1.355 57.395 56.048 -0.012 0.000 1.350 256 H CB 0.322 30.047 29.762 -0.061 0.000 1.403 256 H HN 0.208 nan 8.280 nan 0.000 0.533 257 R N -0.993 119.530 120.500 0.039 0.000 2.075 257 R HA -0.124 4.215 4.340 -0.002 0.000 0.232 257 R C 2.353 178.596 176.300 -0.095 0.000 1.126 257 R CA 1.691 57.772 56.100 -0.032 0.000 0.963 257 R CB -0.166 30.106 30.300 -0.046 0.000 0.858 257 R HN 0.389 nan 8.270 nan 0.000 0.435 258 H N -1.687 117.270 119.070 -0.187 0.000 2.399 258 H HA 0.004 4.559 4.556 -0.002 0.000 0.300 258 H C 0.885 175.981 175.328 -0.388 0.000 1.048 258 H CA 1.451 57.301 56.048 -0.331 0.000 1.370 258 H CB 0.246 29.709 29.762 -0.498 0.000 1.428 258 H HN 0.200 nan 8.280 nan 0.000 0.534 259 Y N -0.298 119.968 120.300 -0.056 0.000 2.478 259 Y HA 0.296 4.845 4.550 -0.002 0.000 0.261 259 Y C 0.926 176.781 175.900 -0.075 0.000 1.127 259 Y CA 0.203 58.258 58.100 -0.075 0.000 1.288 259 Y CB 0.995 39.483 38.460 0.047 0.000 1.084 259 Y HN 0.410 nan 8.280 nan 0.000 0.530 260 G N 0.003 108.772 108.800 -0.052 0.000 2.907 260 G HA2 0.033 3.992 3.960 -0.002 0.000 0.686 260 G HA3 0.033 3.992 3.960 -0.002 0.000 0.686 260 G C 0.606 175.333 174.900 -0.288 0.000 1.115 260 G CA -0.582 44.424 45.100 -0.156 0.000 0.760 260 G HN 0.377 nan 8.290 nan 0.000 0.620 261 A N 0.979 123.507 122.820 -0.487 0.000 1.997 261 A HA -0.132 4.187 4.320 -0.002 0.000 0.221 261 A C 2.227 179.697 177.584 -0.191 0.000 1.172 261 A CA 2.426 54.227 52.037 -0.393 0.000 0.645 261 A CB -0.260 18.648 19.000 -0.154 0.000 0.813 261 A HN 0.828 nan 8.150 nan 0.000 0.454 262 Q N -0.965 118.667 119.800 -0.281 0.000 2.488 262 Q HA -0.090 4.249 4.340 -0.002 0.000 0.211 262 Q C 0.742 176.375 176.000 -0.611 0.000 0.967 262 Q CA 0.916 56.465 55.803 -0.424 0.000 0.926 262 Q CB -0.105 28.312 28.738 -0.535 0.000 0.992 262 Q HN 0.878 nan 8.270 nan 0.000 0.506 263 H N -1.514 117.473 119.070 -0.138 0.000 3.255 263 H HA 0.244 4.799 4.556 -0.001 0.000 0.256 263 H C 0.147 175.452 175.328 -0.038 0.000 1.049 263 H CA -0.069 55.895 56.048 -0.139 0.000 1.202 263 H CB 1.724 31.327 29.762 -0.264 0.000 1.497 263 H HN -0.004 nan 8.280 nan 0.000 0.503 264 I N 2.332 122.948 120.570 0.077 0.000 2.439 264 I HA 0.123 4.292 4.170 -0.002 0.000 0.285 264 I C 0.096 176.303 176.117 0.150 0.000 1.021 264 I CA -0.804 60.562 61.300 0.110 0.000 1.091 264 I CB 1.649 39.736 38.000 0.145 0.000 1.242 264 I HN -0.007 nan 8.210 nan 0.000 0.439 265 N N 6.448 125.198 118.700 0.083 0.000 2.414 265 N HA 0.262 5.001 4.740 -0.002 0.000 0.256 265 N C 0.741 176.283 175.510 0.053 0.000 1.029 265 N CA -0.211 52.880 53.050 0.068 0.000 0.948 265 N CB 1.116 39.633 38.487 0.050 0.000 1.102 265 N HN 0.543 nan 8.380 nan 0.000 0.496 266 L N 2.276 123.505 121.223 0.011 0.000 2.549 266 L HA -0.004 4.334 4.340 -0.002 0.000 0.229 266 L C 1.148 178.035 176.870 0.027 0.000 1.158 266 L CA 0.905 55.721 54.840 -0.039 0.000 0.842 266 L CB -0.019 41.945 42.059 -0.158 0.000 0.952 266 L HN 0.584 nan 8.230 nan 0.000 0.452 267 E N -0.856 119.380 120.200 0.059 0.000 2.562 267 E HA 0.174 4.523 4.350 -0.002 0.000 0.214 267 E C 0.901 177.598 176.600 0.161 0.000 0.979 267 E CA -0.033 56.426 56.400 0.099 0.000 1.002 267 E CB 0.925 30.664 29.700 0.065 0.000 1.048 267 E HN 0.408 nan 8.360 nan 0.000 0.488 268 G N 1.969 110.862 108.800 0.155 0.000 3.075 268 G HA2 0.404 4.363 3.960 -0.002 0.000 0.253 268 G HA3 0.404 4.363 3.960 -0.002 0.000 0.253 268 G C -2.698 172.306 174.900 0.174 0.000 1.353 268 G CA -1.120 44.090 45.100 0.184 0.000 1.051 268 G HN -0.178 nan 8.290 nan 0.000 0.553 269 P HA 0.368 nan 4.420 nan 0.000 0.276 269 P C -0.626 176.639 177.300 -0.058 0.000 1.252 269 P CA -0.232 62.806 63.100 -0.103 0.000 0.802 269 P CB 1.585 33.174 31.700 -0.185 0.000 1.035 270 I N 1.602 122.113 120.570 -0.099 0.000 2.385 270 I HA 0.246 4.415 4.170 -0.002 0.000 0.294 270 I C -2.131 173.891 176.117 -0.159 0.000 0.988 270 I CA -2.908 58.287 61.300 -0.175 0.000 1.265 270 I CB 1.318 39.114 38.000 -0.339 0.000 1.388 270 I HN 0.089 nan 8.210 nan 0.000 0.480 271 P HA 0.002 nan 4.420 nan 0.000 0.264 271 P C 0.412 177.561 177.300 -0.251 0.000 1.229 271 P CA 0.093 63.100 63.100 -0.156 0.000 0.780 271 P CB 0.857 32.526 31.700 -0.051 0.000 0.808 272 A N 4.217 126.923 122.820 -0.189 0.000 2.148 272 A HA -0.225 4.094 4.320 -0.002 0.000 0.222 272 A C 1.556 178.966 177.584 -0.289 0.000 1.161 272 A CA 1.590 53.549 52.037 -0.130 0.000 0.662 272 A CB -1.185 17.939 19.000 0.207 0.000 0.799 272 A HN 0.702 nan 8.150 nan 0.000 0.466 273 H N -1.531 117.107 119.070 -0.720 0.000 2.539 273 H HA 0.309 4.863 4.556 -0.002 0.000 0.269 273 H C 0.911 175.971 175.328 -0.447 0.000 0.980 273 H CA 0.298 55.960 56.048 -0.643 0.000 1.152 273 H CB -0.502 28.747 29.762 -0.855 0.000 1.407 273 H HN 0.467 nan 8.280 nan 0.000 0.564 274 L N 0.865 121.580 121.223 -0.847 0.000 2.728 274 L HA 0.129 4.468 4.340 -0.002 0.000 0.238 274 L C 0.929 177.543 176.870 -0.427 0.000 1.143 274 L CA -0.132 54.267 54.840 -0.735 0.000 0.937 274 L CB 0.379 41.911 42.059 -0.877 0.000 1.225 274 L HN 0.120 nan 8.230 nan 0.000 0.507 275 L N 0.169 121.161 121.223 -0.384 0.000 2.592 275 L HA 0.301 4.640 4.340 -0.002 0.000 0.227 275 L C 1.610 178.421 176.870 -0.099 0.000 1.127 275 L CA 1.017 55.638 54.840 -0.366 0.000 0.884 275 L CB -0.958 40.709 42.059 -0.652 0.000 1.065 275 L HN 0.470 nan 8.230 nan 0.000 0.457 276 G N 0.808 109.567 108.800 -0.069 0.000 2.176 276 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.253 276 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.253 276 G C 0.347 175.274 174.900 0.045 0.000 0.979 276 G CA 0.362 45.467 45.100 0.008 0.000 0.641 276 G HN 0.433 nan 8.290 nan 0.000 0.530 277 N N -0.354 118.383 118.700 0.061 0.000 2.310 277 N HA 0.403 5.142 4.740 -0.002 0.000 0.292 277 N C 1.276 176.794 175.510 0.013 0.000 1.049 277 N CA -0.119 52.987 53.050 0.093 0.000 0.849 277 N CB 1.412 40.027 38.487 0.213 0.000 1.532 277 N HN -0.005 nan 8.380 nan 0.000 0.479 278 M N 3.256 122.718 119.600 -0.229 0.000 2.153 278 M HA -0.114 4.365 4.480 -0.002 0.000 0.253 278 M C 0.561 176.546 176.300 -0.525 0.000 1.081 278 M CA 1.987 56.897 55.300 -0.650 0.000 1.076 278 M CB -0.247 31.355 32.600 -1.665 0.000 1.350 278 M HN 0.672 nan 8.290 nan 0.000 0.401 279 W N -1.177 120.180 121.300 0.095 0.000 3.127 279 W HA 0.566 5.225 4.660 -0.002 0.000 0.344 279 W C 1.146 177.674 176.519 0.015 0.000 1.151 279 W CA 0.253 57.645 57.345 0.077 0.000 1.765 279 W CB -0.769 28.637 29.460 -0.091 0.000 1.085 279 W HN 0.458 nan 8.180 nan 0.000 0.596 280 A N 1.928 124.895 122.820 0.244 0.000 2.832 280 A HA -0.343 3.976 4.320 -0.002 0.000 0.280 280 A C 1.607 179.405 177.584 0.356 0.000 1.464 280 A CA 1.946 54.149 52.037 0.277 0.000 0.804 280 A CB -2.075 17.053 19.000 0.213 0.000 1.020 280 A HN 0.603 nan 8.150 nan 0.000 0.563 281 Q N -0.749 119.100 119.800 0.082 0.000 2.354 281 Q HA 0.151 4.490 4.340 -0.002 0.000 0.203 281 Q C 0.679 176.795 176.000 0.193 0.000 0.933 281 Q CA 1.331 57.066 55.803 -0.114 0.000 0.901 281 Q CB -0.115 28.305 28.738 -0.531 0.000 1.007 281 Q HN 1.291 nan 8.270 nan 0.000 0.495 282 T N -3.037 111.673 114.554 0.259 0.000 2.952 282 T HA 0.401 4.750 4.350 -0.002 0.000 0.305 282 T C -1.030 173.939 174.700 0.447 0.000 1.064 282 T CA -0.898 61.321 62.100 0.199 0.000 1.008 282 T CB 0.915 69.859 68.868 0.127 0.000 1.078 282 T HN 0.294 nan 8.240 nan 0.000 0.459 283 W N 1.761 123.139 121.300 0.129 0.000 2.926 283 W HA 0.310 4.970 4.660 -0.001 0.000 0.419 283 W C 1.704 178.293 176.519 0.115 0.000 0.993 283 W CA -0.886 56.524 57.345 0.108 0.000 2.025 283 W CB -1.021 28.506 29.460 0.112 0.000 1.152 283 W HN 0.926 nan 8.180 nan 0.000 0.659 284 S N -0.140 115.734 115.700 0.289 0.000 2.515 284 S HA -0.128 4.341 4.470 -0.002 0.000 0.231 284 S C 1.287 176.009 174.600 0.203 0.000 0.987 284 S CA 0.892 59.227 58.200 0.226 0.000 0.936 284 S CB -0.214 63.069 63.200 0.139 0.000 0.766 284 S HN 0.104 nan 8.310 nan 0.000 0.528 285 N N 1.885 120.692 118.700 0.178 0.000 2.515 285 N HA 0.140 4.879 4.740 -0.002 0.000 0.185 285 N C 1.135 176.717 175.510 0.120 0.000 1.109 285 N CA 0.924 54.052 53.050 0.130 0.000 0.903 285 N CB -0.063 38.480 38.487 0.094 0.000 0.969 285 N HN 0.838 nan 8.380 nan 0.000 0.450 286 I N -3.104 117.552 120.570 0.143 0.000 3.816 286 I HA 0.188 4.357 4.170 -0.002 0.000 0.334 286 I C 1.394 177.577 176.117 0.110 0.000 1.551 286 I CA -0.600 60.747 61.300 0.079 0.000 1.153 286 I CB -0.333 37.678 38.000 0.018 0.000 1.197 286 I HN -0.217 nan 8.210 nan 0.000 0.439 287 Y N 3.473 123.813 120.300 0.067 0.000 2.241 287 Y HA -0.337 4.212 4.550 -0.002 0.000 0.286 287 Y C 2.250 178.180 175.900 0.051 0.000 1.166 287 Y CA 2.335 60.483 58.100 0.080 0.000 1.203 287 Y CB -0.117 38.392 38.460 0.082 0.000 0.977 287 Y HN 0.588 nan 8.280 nan 0.000 0.529 288 D N -0.160 120.247 120.400 0.011 0.000 2.178 288 D HA -0.215 4.424 4.640 -0.002 0.000 0.201 288 D C 1.814 178.024 176.300 -0.151 0.000 0.980 288 D CA 1.579 55.534 54.000 -0.075 0.000 0.842 288 D CB -0.844 39.953 40.800 -0.005 0.000 0.948 288 D HN 0.502 nan 8.370 nan 0.000 0.472 289 L N 0.624 121.754 121.223 -0.156 0.000 2.492 289 L HA 0.040 4.379 4.340 -0.002 0.000 0.223 289 L C 1.901 178.676 176.870 -0.159 0.000 1.132 289 L CA 0.369 55.097 54.840 -0.187 0.000 0.850 289 L CB 0.230 42.141 42.059 -0.247 0.000 0.966 289 L HN 0.065 nan 8.230 nan 0.000 0.454 290 V N -4.410 115.413 119.914 -0.153 0.000 3.253 290 V HA 0.244 4.363 4.120 -0.002 0.000 0.320 290 V C 0.643 176.691 176.094 -0.076 0.000 1.442 290 V CA -0.480 61.769 62.300 -0.085 0.000 1.097 290 V CB 0.198 32.066 31.823 0.076 0.000 1.008 290 V HN -0.066 nan 8.190 nan 0.000 0.463 291 V N 3.215 122.942 119.914 -0.311 0.000 2.486 291 V HA 0.067 4.186 4.120 -0.002 0.000 0.290 291 V C -0.507 175.514 176.094 -0.121 0.000 0.991 291 V CA 0.128 62.197 62.300 -0.384 0.000 1.142 291 V CB 0.471 32.073 31.823 -0.369 0.000 0.926 291 V HN 0.416 nan 8.190 nan 0.000 0.472 292 P HA -0.107 nan 4.420 nan 0.000 0.214 292 P C 0.173 177.179 177.300 -0.491 0.000 1.163 292 P CA 1.468 64.373 63.100 -0.326 0.000 0.889 292 P CB 0.120 31.321 31.700 -0.832 0.000 0.790 293 F N -1.256 118.646 119.950 -0.080 0.000 2.451 293 F HA 0.307 4.833 4.527 -0.002 0.000 0.367 293 F C -1.571 174.206 175.800 -0.039 0.000 1.100 293 F CA -2.159 55.816 58.000 -0.043 0.000 1.171 293 F CB 1.153 40.097 39.000 -0.094 0.000 1.405 293 F HN -0.019 nan 8.300 nan 0.000 0.482 294 P HA -0.110 nan 4.420 nan 0.000 0.230 294 P C 1.092 178.433 177.300 0.067 0.000 1.158 294 P CA 0.938 64.068 63.100 0.051 0.000 0.769 294 P CB 0.154 31.860 31.700 0.011 0.000 0.807 295 S N -0.496 115.257 115.700 0.089 0.000 2.481 295 S HA 0.141 4.610 4.470 -0.002 0.000 0.231 295 S C 1.355 175.969 174.600 0.024 0.000 0.996 295 S CA 0.252 58.490 58.200 0.064 0.000 0.942 295 S CB -0.601 62.650 63.200 0.085 0.000 0.768 295 S HN 0.200 nan 8.310 nan 0.000 0.520 296 A N 3.894 126.714 122.820 -0.001 0.000 2.341 296 A HA 0.599 4.918 4.320 -0.002 0.000 0.326 296 A C -2.187 175.443 177.584 0.077 0.000 1.402 296 A CA -2.007 49.959 52.037 -0.117 0.000 0.957 296 A CB 0.214 18.885 19.000 -0.548 0.000 1.151 296 A HN 0.257 nan 8.150 nan 0.000 0.533 297 P HA 0.298 nan 4.420 nan 0.000 0.269 297 P C -0.063 177.346 177.300 0.183 0.000 1.217 297 P CA 0.225 63.406 63.100 0.135 0.000 0.783 297 P CB 0.881 32.639 31.700 0.097 0.000 0.898 298 S N 2.159 117.951 115.700 0.154 0.000 2.478 298 S HA 0.534 5.003 4.470 -0.002 0.000 0.312 298 S C -0.001 174.647 174.600 0.080 0.000 1.094 298 S CA -0.913 57.376 58.200 0.148 0.000 1.081 298 S CB 0.446 63.783 63.200 0.229 0.000 1.007 298 S HN 0.506 nan 8.310 nan 0.000 0.475 299 M N 2.792 122.416 119.600 0.039 0.000 2.217 299 M HA 0.146 4.624 4.480 -0.002 0.000 0.354 299 M C -0.105 176.196 176.300 0.002 0.000 1.225 299 M CA -0.245 55.061 55.300 0.010 0.000 1.137 299 M CB 0.636 33.225 32.600 -0.018 0.000 1.576 299 M HN 0.646 nan 8.290 nan 0.000 0.461 300 D N 3.481 123.883 120.400 0.002 0.000 2.455 300 D HA -0.002 4.637 4.640 -0.002 0.000 0.234 300 D C 1.008 177.287 176.300 -0.036 0.000 1.224 300 D CA 0.185 54.182 54.000 -0.005 0.000 0.999 300 D CB 0.534 41.337 40.800 0.004 0.000 1.072 300 D HN 0.826 nan 8.370 nan 0.000 0.514 301 T N 0.236 114.755 114.554 -0.058 0.000 2.778 301 T HA -0.203 4.146 4.350 -0.002 0.000 0.269 301 T C 1.725 176.348 174.700 -0.129 0.000 1.050 301 T CA 1.517 63.552 62.100 -0.108 0.000 1.137 301 T CB -0.313 68.480 68.868 -0.124 0.000 0.860 301 T HN 0.241 nan 8.240 nan 0.000 0.468 302 T N 1.400 115.904 114.554 -0.083 0.000 2.812 302 T HA -0.014 4.335 4.350 -0.002 0.000 0.264 302 T C 1.967 176.636 174.700 -0.051 0.000 1.042 302 T CA 1.060 63.118 62.100 -0.069 0.000 1.140 302 T CB -0.230 68.620 68.868 -0.031 0.000 0.870 302 T HN 0.430 nan 8.240 nan 0.000 0.445 303 E N 0.920 121.101 120.200 -0.032 0.000 2.106 303 E HA -0.058 4.291 4.350 -0.002 0.000 0.192 303 E C 2.546 179.134 176.600 -0.021 0.000 0.984 303 E CA 0.963 57.355 56.400 -0.013 0.000 0.806 303 E CB -0.206 29.493 29.700 -0.003 0.000 0.750 303 E HN 0.455 nan 8.360 nan 0.000 0.458 304 A N 1.016 123.805 122.820 -0.051 0.000 1.883 304 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 304 A C 2.229 179.757 177.584 -0.094 0.000 1.186 304 A CA 1.685 53.684 52.037 -0.064 0.000 0.624 304 A CB -0.497 18.443 19.000 -0.100 0.000 0.822 304 A HN 0.177 nan 8.150 nan 0.000 0.444 305 M N -0.865 118.612 119.600 -0.204 0.000 2.175 305 M HA -0.042 4.437 4.480 -0.002 0.000 0.264 305 M C 2.108 178.437 176.300 0.048 0.000 1.063 305 M CA 1.183 56.302 55.300 -0.302 0.000 1.119 305 M CB -0.401 31.944 32.600 -0.425 0.000 1.377 305 M HN 0.365 nan 8.290 nan 0.000 0.415 306 L N 0.351 121.596 121.223 0.037 0.000 2.056 306 L HA -0.191 4.148 4.340 -0.002 0.000 0.207 306 L C 3.160 180.088 176.870 0.096 0.000 1.078 306 L CA 1.600 56.489 54.840 0.083 0.000 0.749 306 L CB -1.086 41.002 42.059 0.049 0.000 0.901 306 L HN 0.287 nan 8.230 nan 0.000 0.433 307 K N 0.403 120.846 120.400 0.072 0.000 2.026 307 K HA -0.176 4.143 4.320 -0.002 0.000 0.208 307 K C 1.715 178.379 176.600 0.107 0.000 1.048 307 K CA 1.595 57.925 56.287 0.072 0.000 0.929 307 K CB -1.044 31.486 32.500 0.049 0.000 0.713 307 K HN 0.585 nan 8.250 nan 0.000 0.439 308 Q N -0.462 119.439 119.800 0.168 0.000 2.329 308 Q HA 0.227 4.566 4.340 -0.002 0.000 0.208 308 Q C 0.711 176.853 176.000 0.238 0.000 0.934 308 Q CA 0.206 56.138 55.803 0.215 0.000 0.951 308 Q CB -0.261 28.666 28.738 0.314 0.000 1.017 308 Q HN 0.679 nan 8.270 nan 0.000 0.490 309 G N 1.437 110.360 108.800 0.205 0.000 2.338 309 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.296 309 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.296 309 G C -0.773 174.245 174.900 0.197 0.000 1.040 309 G CA -0.231 44.966 45.100 0.161 0.000 1.004 309 G HN 0.397 nan 8.290 nan 0.000 0.509 310 W N 0.217 121.537 121.300 0.034 0.000 2.261 310 W HA 0.598 5.257 4.660 -0.002 0.000 0.323 310 W C 1.097 177.652 176.519 0.059 0.000 1.243 310 W CA 0.480 57.852 57.345 0.046 0.000 1.210 310 W CB 1.225 30.712 29.460 0.045 0.000 1.149 310 W HN 0.590 nan 8.180 nan 0.000 0.562 311 T N 0.081 114.787 114.554 0.253 0.000 2.887 311 T HA 0.428 4.777 4.350 -0.002 0.000 0.292 311 T C -2.211 172.645 174.700 0.259 0.000 1.087 311 T CA -2.171 60.054 62.100 0.209 0.000 1.009 311 T CB 2.051 70.997 68.868 0.130 0.000 1.203 311 T HN 0.002 nan 8.240 nan 0.000 0.518 312 P HA -0.098 nan 4.420 nan 0.000 0.216 312 P C 1.699 179.306 177.300 0.512 0.000 1.157 312 P CA 1.111 64.439 63.100 0.380 0.000 0.880 312 P CB 0.079 31.981 31.700 0.337 0.000 0.791 313 R N -0.669 120.055 120.500 0.374 0.000 2.083 313 R HA -0.187 4.152 4.340 -0.002 0.000 0.237 313 R C 2.451 178.945 176.300 0.324 0.000 1.137 313 R CA 1.665 57.999 56.100 0.389 0.000 0.951 313 R CB -0.430 29.988 30.300 0.196 0.000 0.851 313 R HN -0.054 nan 8.270 nan 0.000 0.434 314 R N 0.837 121.424 120.500 0.144 0.000 2.096 314 R HA -0.142 4.196 4.340 -0.002 0.000 0.240 314 R C 2.124 178.466 176.300 0.070 0.000 1.139 314 R CA 2.080 58.158 56.100 -0.037 0.000 0.952 314 R CB -0.581 29.564 30.300 -0.259 0.000 0.854 314 R HN 0.211 nan 8.270 nan 0.000 0.436 315 M N -0.761 118.989 119.600 0.250 0.000 2.073 315 M HA -0.156 4.322 4.480 -0.002 0.000 0.258 315 M C 2.080 178.452 176.300 0.121 0.000 1.070 315 M CA 2.077 57.541 55.300 0.275 0.000 1.103 315 M CB -0.495 32.208 32.600 0.172 0.000 1.321 315 M HN 0.099 nan 8.290 nan 0.000 0.405 316 F N 0.318 120.457 119.950 0.314 0.000 2.216 316 F HA -0.176 4.350 4.527 -0.002 0.000 0.300 316 F C 2.454 178.518 175.800 0.440 0.000 1.085 316 F CA 1.087 59.291 58.000 0.340 0.000 1.326 316 F CB -0.463 38.800 39.000 0.438 0.000 1.027 316 F HN -0.012 nan 8.300 nan 0.000 0.497 317 K N 0.355 121.110 120.400 0.592 0.000 2.057 317 K HA -0.142 4.177 4.320 -0.002 0.000 0.207 317 K C 1.962 178.723 176.600 0.268 0.000 1.049 317 K CA 1.169 57.696 56.287 0.400 0.000 0.931 317 K CB -0.468 32.066 32.500 0.057 0.000 0.714 317 K HN 0.244 nan 8.250 nan 0.000 0.440 318 E N 0.563 120.884 120.200 0.203 0.000 2.110 318 E HA -0.124 4.225 4.350 -0.002 0.000 0.193 318 E C 1.971 178.739 176.600 0.280 0.000 0.988 318 E CA 1.052 57.595 56.400 0.239 0.000 0.804 318 E CB -0.182 29.708 29.700 0.316 0.000 0.745 318 E HN 0.258 nan 8.360 nan 0.000 0.458 319 A N 1.389 124.260 122.820 0.085 0.000 1.898 319 A HA -0.213 4.105 4.320 -0.002 0.000 0.216 319 A C 2.022 179.754 177.584 0.248 0.000 1.181 319 A CA 1.886 53.804 52.037 -0.198 0.000 0.620 319 A CB -0.578 18.078 19.000 -0.573 0.000 0.819 319 A HN 0.206 nan 8.150 nan 0.000 0.442 320 D N -0.275 120.298 120.400 0.289 0.000 2.144 320 D HA -0.195 4.444 4.640 -0.002 0.000 0.199 320 D C 1.603 178.093 176.300 0.315 0.000 0.984 320 D CA 1.632 55.815 54.000 0.305 0.000 0.834 320 D CB -0.228 40.788 40.800 0.359 0.000 0.955 320 D HN 0.526 nan 8.370 nan 0.000 0.465 321 D N -1.553 119.025 120.400 0.297 0.000 2.144 321 D HA -0.179 4.460 4.640 -0.002 0.000 0.199 321 D C 1.869 178.343 176.300 0.290 0.000 0.984 321 D CA 0.753 54.908 54.000 0.258 0.000 0.834 321 D CB -0.349 40.596 40.800 0.242 0.000 0.955 321 D HN 0.299 nan 8.370 nan 0.000 0.465 322 F N -0.665 119.428 119.950 0.238 0.000 2.134 322 F HA -0.095 4.431 4.527 -0.002 0.000 0.299 322 F C 1.697 177.471 175.800 -0.043 0.000 1.097 322 F CA 1.123 59.220 58.000 0.162 0.000 1.264 322 F CB -0.138 38.930 39.000 0.112 0.000 1.001 322 F HN -0.027 nan 8.300 nan 0.000 0.479 323 F N 0.318 120.439 119.950 0.286 0.000 2.075 323 F HA -0.249 4.277 4.527 -0.002 0.000 0.297 323 F C 2.801 178.617 175.800 0.026 0.000 1.113 323 F CA 1.954 60.027 58.000 0.121 0.000 1.218 323 F CB -1.176 37.837 39.000 0.021 0.000 0.984 323 F HN -0.028 nan 8.300 nan 0.000 0.472 324 T N -2.705 111.971 114.554 0.204 0.000 2.962 324 T HA -0.169 4.179 4.350 -0.002 0.000 0.270 324 T C 2.043 176.727 174.700 -0.027 0.000 1.088 324 T CA 1.067 63.213 62.100 0.076 0.000 1.127 324 T CB -0.854 68.058 68.868 0.074 0.000 0.883 324 T HN 0.335 nan 8.240 nan 0.000 0.493 325 S N 1.748 117.381 115.700 -0.111 0.000 2.423 325 S HA 0.092 4.561 4.470 -0.002 0.000 0.231 325 S C 1.852 176.259 174.600 -0.321 0.000 1.014 325 S CA 0.388 58.383 58.200 -0.341 0.000 0.965 325 S CB -0.831 61.875 63.200 -0.824 0.000 0.785 325 S HN 0.571 nan 8.310 nan 0.000 0.495 326 L N 0.919 122.025 121.223 -0.196 0.000 2.591 326 L HA 0.319 4.658 4.340 -0.002 0.000 0.228 326 L C 1.935 178.762 176.870 -0.071 0.000 1.133 326 L CA 0.384 55.147 54.840 -0.128 0.000 0.880 326 L CB -0.614 41.417 42.059 -0.047 0.000 1.033 326 L HN 0.630 nan 8.230 nan 0.000 0.450 327 G N -0.013 108.751 108.800 -0.060 0.000 2.176 327 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.253 327 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.253 327 G C 0.328 175.222 174.900 -0.009 0.000 0.979 327 G CA -0.143 44.935 45.100 -0.037 0.000 0.641 327 G HN 0.207 nan 8.290 nan 0.000 0.530 328 L N 0.484 121.722 121.223 0.025 0.000 2.479 328 L HA 0.501 4.840 4.340 -0.002 0.000 0.248 328 L C 1.473 178.353 176.870 0.016 0.000 1.205 328 L CA -0.892 53.972 54.840 0.040 0.000 0.817 328 L CB 0.314 42.460 42.059 0.144 0.000 1.162 328 L HN 0.055 nan 8.230 nan 0.000 0.486 329 L N 2.502 123.699 121.223 -0.043 0.000 2.416 329 L HA 0.234 4.573 4.340 -0.002 0.000 0.272 329 L C -2.036 174.773 176.870 -0.102 0.000 1.161 329 L CA -1.565 53.228 54.840 -0.078 0.000 0.845 329 L CB 0.184 42.166 42.059 -0.130 0.000 1.119 329 L HN 0.353 nan 8.230 nan 0.000 0.464 330 P HA 0.163 nan 4.420 nan 0.000 0.284 330 P C -0.708 176.520 177.300 -0.121 0.000 1.258 330 P CA -0.494 62.582 63.100 -0.041 0.000 0.824 330 P CB 1.660 33.386 31.700 0.043 0.000 1.038 331 V N -0.249 119.535 119.914 -0.216 0.000 2.655 331 V HA 0.238 4.357 4.120 -0.002 0.000 0.300 331 V C -2.317 173.725 176.094 -0.086 0.000 1.044 331 V CA -1.690 60.384 62.300 -0.377 0.000 1.095 331 V CB -0.891 30.303 31.823 -1.049 0.000 0.952 331 V HN 0.433 nan 8.190 nan 0.000 0.485 332 P HA 0.221 nan 4.420 nan 0.000 0.270 332 P C -2.190 175.234 177.300 0.206 0.000 1.227 332 P CA -1.247 61.929 63.100 0.127 0.000 0.788 332 P CB -0.232 31.567 31.700 0.164 0.000 0.926 333 P HA -0.171 nan 4.420 nan 0.000 0.218 333 P C 1.421 178.872 177.300 0.251 0.000 1.148 333 P CA 1.308 64.603 63.100 0.324 0.000 0.822 333 P CB -0.064 31.747 31.700 0.185 0.000 0.784 334 E N -1.467 118.809 120.200 0.127 0.000 2.130 334 E HA -0.234 4.115 4.350 -0.002 0.000 0.196 334 E C 1.729 178.322 176.600 -0.011 0.000 0.998 334 E CA 0.797 57.211 56.400 0.023 0.000 0.806 334 E CB -0.496 29.181 29.700 -0.038 0.000 0.738 334 E HN 0.157 nan 8.360 nan 0.000 0.459 335 F N -0.213 119.652 119.950 -0.142 0.000 2.069 335 F HA -0.222 4.303 4.527 -0.002 0.000 0.298 335 F C 1.517 177.138 175.800 -0.299 0.000 1.113 335 F CA 1.938 59.765 58.000 -0.289 0.000 1.214 335 F CB -0.518 38.215 39.000 -0.446 0.000 0.978 335 F HN 0.085 nan 8.300 nan 0.000 0.474 336 W N 0.779 122.116 121.300 0.061 0.000 2.374 336 W HA -0.123 4.536 4.660 -0.002 0.000 0.288 336 W C 2.531 178.965 176.519 -0.142 0.000 1.218 336 W CA 1.142 58.451 57.345 -0.061 0.000 1.245 336 W CB -0.865 28.642 29.460 0.080 0.000 1.126 336 W HN 0.093 nan 8.180 nan 0.000 0.545 337 Q N 0.598 120.449 119.800 0.085 0.000 2.030 337 Q HA -0.208 4.131 4.340 -0.002 0.000 0.204 337 Q C 1.924 177.858 176.000 -0.111 0.000 0.986 337 Q CA 1.808 57.603 55.803 -0.012 0.000 0.843 337 Q CB -0.269 28.447 28.738 -0.036 0.000 0.904 337 Q HN 0.322 nan 8.270 nan 0.000 0.420 338 K N -0.563 119.695 120.400 -0.235 0.000 2.370 338 K HA 0.207 4.526 4.320 -0.002 0.000 0.194 338 K C 0.650 177.058 176.600 -0.320 0.000 1.070 338 K CA -0.093 56.009 56.287 -0.308 0.000 0.998 338 K CB 0.839 33.055 32.500 -0.473 0.000 0.911 338 K HN -0.060 nan 8.250 nan 0.000 0.533 339 S N 1.322 116.762 115.700 -0.432 0.000 2.580 339 S HA 0.097 4.566 4.470 -0.002 0.000 0.266 339 S C 0.142 174.679 174.600 -0.105 0.000 1.354 339 S CA 0.050 58.021 58.200 -0.383 0.000 1.008 339 S CB 0.478 63.137 63.200 -0.901 0.000 0.898 339 S HN 0.213 nan 8.310 nan 0.000 0.555 340 M N 3.394 122.997 119.600 0.006 0.000 2.182 340 M HA 0.314 4.793 4.480 -0.002 0.000 0.285 340 M C -0.779 175.478 176.300 -0.072 0.000 0.956 340 M CA -0.272 55.016 55.300 -0.020 0.000 0.878 340 M CB -0.261 32.307 32.600 -0.053 0.000 1.373 340 M HN 0.559 nan 8.290 nan 0.000 0.393 341 L N 2.520 123.674 121.223 -0.115 0.000 2.650 341 L HA 0.121 4.459 4.340 -0.002 0.000 0.235 341 L C 0.437 177.355 176.870 0.081 0.000 1.149 341 L CA 0.406 55.183 54.840 -0.105 0.000 0.887 341 L CB -0.642 41.314 42.059 -0.171 0.000 1.021 341 L HN 0.628 nan 8.230 nan 0.000 0.441 342 E N -1.122 119.111 120.200 0.055 0.000 2.388 342 E HA 0.223 4.572 4.350 -0.002 0.000 0.280 342 E C -1.076 175.546 176.600 0.036 0.000 1.019 342 E CA -1.021 55.425 56.400 0.078 0.000 0.806 342 E CB 1.186 30.941 29.700 0.091 0.000 1.246 342 E HN -0.110 nan 8.360 nan 0.000 0.443 343 K N 2.317 122.739 120.400 0.038 0.000 2.436 343 K HA 0.144 4.463 4.320 -0.002 0.000 0.282 343 K C -2.094 174.508 176.600 0.003 0.000 1.044 343 K CA -0.994 55.300 56.287 0.011 0.000 1.028 343 K CB 0.055 32.566 32.500 0.017 0.000 0.919 343 K HN 0.266 nan 8.250 nan 0.000 0.474 344 P HA -0.042 nan 4.420 nan 0.000 0.270 344 P C -0.209 177.086 177.300 -0.008 0.000 1.227 344 P CA 0.012 63.101 63.100 -0.017 0.000 0.788 344 P CB 0.628 32.305 31.700 -0.039 0.000 0.926 345 T N -4.326 110.226 114.554 -0.003 0.000 3.111 345 T HA 0.072 4.421 4.350 -0.002 0.000 0.284 345 T C 0.352 175.051 174.700 -0.001 0.000 0.983 345 T CA -0.263 61.838 62.100 0.002 0.000 0.900 345 T CB -0.460 68.414 68.868 0.009 0.000 1.132 345 T HN 0.340 nan 8.240 nan 0.000 0.531 346 D N 1.369 121.765 120.400 -0.006 0.000 2.352 346 D HA 0.319 4.958 4.640 -0.002 0.000 0.236 346 D C 1.667 177.962 176.300 -0.008 0.000 1.148 346 D CA 0.281 54.277 54.000 -0.006 0.000 0.844 346 D CB -0.550 40.245 40.800 -0.009 0.000 0.933 346 D HN 0.527 nan 8.370 nan 0.000 0.507 347 G N 0.460 109.255 108.800 -0.008 0.000 2.284 347 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.247 347 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.247 347 G C 0.570 175.460 174.900 -0.016 0.000 1.012 347 G CA -0.084 45.012 45.100 -0.007 0.000 0.618 347 G HN 0.475 nan 8.290 nan 0.000 0.521 348 R N 1.137 121.622 120.500 -0.026 0.000 2.740 348 R HA 0.283 4.622 4.340 -0.002 0.000 0.263 348 R C 0.257 176.528 176.300 -0.049 0.000 0.997 348 R CA 0.916 56.989 56.100 -0.044 0.000 1.108 348 R CB 0.255 30.518 30.300 -0.062 0.000 0.969 348 R HN 0.503 nan 8.270 nan 0.000 0.431 349 E N 2.141 122.302 120.200 -0.065 0.000 2.176 349 E HA 0.348 4.697 4.350 -0.002 0.000 0.267 349 E C -1.071 175.459 176.600 -0.117 0.000 0.893 349 E CA -0.772 55.590 56.400 -0.064 0.000 0.761 349 E CB 1.314 30.987 29.700 -0.044 0.000 1.133 349 E HN 0.375 nan 8.360 nan 0.000 0.409 350 V N 1.006 120.856 119.914 -0.106 0.000 3.158 350 V HA 0.617 4.736 4.120 -0.002 0.000 0.311 350 V C -0.802 175.238 176.094 -0.090 0.000 1.181 350 V CA -0.980 61.227 62.300 -0.154 0.000 1.054 350 V CB 1.918 33.644 31.823 -0.162 0.000 1.085 350 V HN 0.387 nan 8.190 nan 0.000 0.446 351 V N 1.449 121.307 119.914 -0.094 0.000 2.284 351 V HA 0.133 4.252 4.120 -0.002 0.000 0.260 351 V C 1.284 177.406 176.094 0.047 0.000 1.084 351 V CA 0.137 62.464 62.300 0.046 0.000 0.894 351 V CB -0.243 31.650 31.823 0.117 0.000 1.119 351 V HN 1.116 nan 8.190 nan 0.000 0.484 352 c N 2.962 121.596 118.600 0.056 0.000 2.413 352 c HA -0.134 4.435 4.570 -0.002 0.000 0.277 352 c C 1.660 175.797 174.090 0.078 0.000 1.265 352 c CA 0.516 56.873 56.329 0.047 0.000 1.752 352 c CB -1.020 41.512 42.510 0.036 0.000 1.998 352 c HN 0.821 nan 8.230 nan 0.000 0.489 353 H N 0.233 119.231 119.070 -0.119 0.000 3.140 353 H HA 0.233 4.788 4.556 -0.002 0.000 0.316 353 H C 0.663 175.902 175.328 -0.149 0.000 0.986 353 H CA 0.044 55.915 56.048 -0.294 0.000 1.397 353 H CB 0.394 29.577 29.762 -0.965 0.000 1.377 353 H HN 0.506 nan 8.280 nan 0.000 0.585 354 A N 4.250 127.076 122.820 0.009 0.000 2.540 354 A HA 0.299 4.618 4.320 -0.002 0.000 0.239 354 A C -0.133 177.423 177.584 -0.046 0.000 1.061 354 A CA 0.654 52.712 52.037 0.035 0.000 0.758 354 A CB 0.052 19.135 19.000 0.138 0.000 0.991 354 A HN 0.784 nan 8.150 nan 0.000 0.502 355 S N 0.145 115.950 115.700 0.175 0.000 2.565 355 S HA 0.729 5.198 4.470 -0.002 0.000 0.274 355 S C -0.715 174.123 174.600 0.397 0.000 1.144 355 S CA -0.229 58.085 58.200 0.190 0.000 0.849 355 S CB 0.971 64.243 63.200 0.120 0.000 1.103 355 S HN 2.209 nan 8.310 nan 0.000 0.455 356 A N 0.756 123.745 122.820 0.281 0.000 2.340 356 A HA 0.832 5.151 4.320 -0.002 0.000 0.331 356 A C -1.700 176.208 177.584 0.540 0.000 1.140 356 A CA -0.739 51.602 52.037 0.506 0.000 0.801 356 A CB 0.544 19.740 19.000 0.327 0.000 1.234 356 A HN 0.752 nan 8.150 nan 0.000 0.469 357 W N 0.778 122.353 121.300 0.458 0.000 2.656 357 W HA 0.506 5.165 4.660 -0.002 0.000 0.327 357 W C -0.666 175.841 176.519 -0.020 0.000 1.041 357 W CA -0.410 57.045 57.345 0.184 0.000 1.229 357 W CB 1.649 31.225 29.460 0.194 0.000 1.397 357 W HN 0.637 nan 8.180 nan 0.000 0.479 358 D N 1.656 121.771 120.400 -0.475 0.000 2.256 358 D HA 0.286 4.925 4.640 -0.002 0.000 0.240 358 D C -0.537 175.394 176.300 -0.615 0.000 1.062 358 D CA -0.525 53.034 54.000 -0.735 0.000 0.832 358 D CB 1.009 40.929 40.800 -1.466 0.000 1.135 358 D HN 0.195 nan 8.370 nan 0.000 0.484 359 F N 2.739 122.436 119.950 -0.421 0.000 2.684 359 F HA 0.172 4.698 4.527 -0.002 0.000 0.298 359 F C 0.330 176.093 175.800 -0.063 0.000 1.120 359 F CA -0.503 57.387 58.000 -0.183 0.000 1.332 359 F CB -0.530 38.342 39.000 -0.214 0.000 0.986 359 F HN 0.392 nan 8.300 nan 0.000 0.524 360 Y N 0.394 120.707 120.300 0.022 0.000 3.305 360 Y HA -0.361 4.188 4.550 -0.002 0.000 0.214 360 Y C 1.055 176.957 175.900 0.002 0.000 1.185 360 Y CA 0.625 58.754 58.100 0.049 0.000 1.326 360 Y CB -2.049 36.486 38.460 0.126 0.000 1.367 360 Y HN 0.391 nan 8.280 nan 0.000 0.588 361 N N -1.315 117.395 118.700 0.017 0.000 2.143 361 N HA 0.298 5.037 4.740 -0.002 0.000 0.222 361 N C 1.186 176.671 175.510 -0.042 0.000 1.264 361 N CA 0.460 53.503 53.050 -0.012 0.000 0.897 361 N CB 0.632 39.096 38.487 -0.038 0.000 1.092 361 N HN 0.453 nan 8.380 nan 0.000 0.516 362 G N 0.776 109.545 108.800 -0.051 0.000 2.155 362 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.257 362 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.257 362 G C 0.602 175.544 174.900 0.071 0.000 0.983 362 G CA 1.014 46.178 45.100 0.107 0.000 0.676 362 G HN 0.514 nan 8.290 nan 0.000 0.528 363 K N -1.337 118.868 120.400 -0.325 0.000 2.658 363 K HA 0.089 4.408 4.320 -0.002 0.000 0.202 363 K C -0.344 175.943 176.600 -0.521 0.000 1.563 363 K CA -0.208 55.967 56.287 -0.187 0.000 1.129 363 K CB 0.735 33.185 32.500 -0.083 0.000 1.507 363 K HN 0.168 nan 8.250 nan 0.000 0.581 364 D N 1.283 121.224 120.400 -0.766 0.000 2.441 364 D HA 0.247 4.886 4.640 -0.002 0.000 0.221 364 D C -1.365 174.514 176.300 -0.701 0.000 1.156 364 D CA -0.237 53.368 54.000 -0.657 0.000 0.896 364 D CB -0.169 40.279 40.800 -0.586 0.000 1.028 364 D HN -0.121 nan 8.370 nan 0.000 0.509 365 F N 2.768 122.751 119.950 0.055 0.000 2.529 365 F HA 0.548 5.074 4.527 -0.002 0.000 0.320 365 F C 0.751 176.704 175.800 0.254 0.000 1.118 365 F CA -0.988 57.155 58.000 0.238 0.000 0.915 365 F CB 1.607 40.763 39.000 0.260 0.000 1.161 365 F HN -0.074 nan 8.300 nan 0.000 0.445 366 R N 2.528 123.297 120.500 0.448 0.000 2.888 366 R HA 0.839 5.178 4.340 -0.002 0.000 0.264 366 R C -1.550 175.005 176.300 0.425 0.000 1.045 366 R CA -1.181 55.006 56.100 0.145 0.000 0.962 366 R CB 2.836 32.868 30.300 -0.447 0.000 1.210 366 R HN 0.583 nan 8.270 nan 0.000 0.479 367 I N 0.720 121.420 120.570 0.218 0.000 2.582 367 I HA 0.329 4.498 4.170 -0.002 0.000 0.292 367 I C -0.779 175.494 176.117 0.261 0.000 1.066 367 I CA -0.763 60.751 61.300 0.355 0.000 1.053 367 I CB 2.397 40.552 38.000 0.259 0.000 1.241 367 I HN 0.312 nan 8.210 nan 0.000 0.421 368 K N 6.451 127.056 120.400 0.341 0.000 2.507 368 K HA 0.462 4.781 4.320 -0.002 0.000 0.253 368 K C -1.350 175.335 176.600 0.142 0.000 0.969 368 K CA -0.378 55.989 56.287 0.133 0.000 0.908 368 K CB 1.470 33.941 32.500 -0.049 0.000 1.127 368 K HN 0.665 nan 8.250 nan 0.000 0.437 369 Q N 3.296 123.157 119.800 0.103 0.000 2.315 369 Q HA 0.288 4.627 4.340 -0.002 0.000 0.273 369 Q C -1.406 174.672 176.000 0.130 0.000 1.053 369 Q CA -0.725 55.174 55.803 0.161 0.000 0.817 369 Q CB 1.939 30.857 28.738 0.300 0.000 1.326 369 Q HN 0.708 nan 8.270 nan 0.000 0.423 370 c N 3.579 122.249 118.600 0.117 0.000 2.700 370 c HA 0.270 4.839 4.570 -0.002 0.000 0.529 370 c C 0.164 174.331 174.090 0.128 0.000 1.093 370 c CA -0.323 56.062 56.329 0.093 0.000 1.320 370 c CB -1.589 40.955 42.510 0.058 0.000 1.478 370 c HN 0.608 nan 8.230 nan 0.000 0.598 371 T N 2.329 116.994 114.554 0.184 0.000 2.867 371 T HA 0.137 4.486 4.350 -0.002 0.000 0.297 371 T C 0.528 175.324 174.700 0.160 0.000 0.989 371 T CA 0.696 62.926 62.100 0.217 0.000 1.159 371 T CB 0.469 69.550 68.868 0.355 0.000 0.928 371 T HN 0.534 nan 8.240 nan 0.000 0.538 372 T N 2.653 117.285 114.554 0.129 0.000 2.855 372 T HA 0.348 4.697 4.350 -0.002 0.000 0.281 372 T C 0.294 175.055 174.700 0.101 0.000 1.007 372 T CA -0.628 61.532 62.100 0.100 0.000 1.009 372 T CB 1.238 70.148 68.868 0.070 0.000 0.983 372 T HN 0.366 nan 8.240 nan 0.000 0.455 373 V N 5.625 125.597 119.914 0.098 0.000 2.341 373 V HA 0.281 4.400 4.120 -0.002 0.000 0.248 373 V C 0.072 176.189 176.094 0.038 0.000 1.107 373 V CA -0.277 62.080 62.300 0.096 0.000 1.069 373 V CB -1.545 30.350 31.823 0.119 0.000 1.177 373 V HN 0.985 nan 8.190 nan 0.000 0.492 374 N N 2.742 121.449 118.700 0.013 0.000 3.046 374 N HA 0.253 4.991 4.740 -0.002 0.000 0.243 374 N C 0.106 175.582 175.510 -0.057 0.000 1.452 374 N CA -0.952 52.078 53.050 -0.032 0.000 0.882 374 N CB 1.127 39.610 38.487 -0.007 0.000 1.425 374 N HN 0.097 nan 8.380 nan 0.000 0.517 375 L N -0.309 120.863 121.223 -0.084 0.000 2.131 375 L HA -0.077 4.262 4.340 -0.002 0.000 0.210 375 L C 2.078 178.917 176.870 -0.051 0.000 1.092 375 L CA 1.811 56.595 54.840 -0.094 0.000 0.759 375 L CB -0.200 41.800 42.059 -0.100 0.000 0.903 375 L HN 0.872 nan 8.230 nan 0.000 0.435 376 E N -0.068 120.118 120.200 -0.023 0.000 2.051 376 E HA -0.285 4.064 4.350 -0.002 0.000 0.192 376 E C 1.532 178.138 176.600 0.010 0.000 0.991 376 E CA 1.842 58.241 56.400 -0.003 0.000 0.799 376 E CB 0.105 29.816 29.700 0.019 0.000 0.748 376 E HN 0.396 nan 8.360 nan 0.000 0.449 377 D N -0.153 120.261 120.400 0.025 0.000 2.269 377 D HA -0.098 4.541 4.640 -0.002 0.000 0.208 377 D C 1.721 178.039 176.300 0.029 0.000 0.963 377 D CA 0.202 54.230 54.000 0.047 0.000 0.864 377 D CB -0.008 40.836 40.800 0.073 0.000 0.936 377 D HN 0.159 nan 8.370 nan 0.000 0.505 378 L N 0.006 121.239 121.223 0.017 0.000 2.093 378 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 378 L C 1.939 178.877 176.870 0.114 0.000 1.085 378 L CA 1.308 56.179 54.840 0.050 0.000 0.755 378 L CB -0.286 41.782 42.059 0.015 0.000 0.904 378 L HN -0.104 nan 8.230 nan 0.000 0.435 379 V N -1.459 118.464 119.914 0.014 0.000 2.379 379 V HA -0.203 3.916 4.120 -0.002 0.000 0.245 379 V C 2.458 178.597 176.094 0.075 0.000 1.044 379 V CA 1.459 63.744 62.300 -0.024 0.000 1.036 379 V CB -0.323 31.450 31.823 -0.084 0.000 0.664 379 V HN 0.304 nan 8.190 nan 0.000 0.453 380 V N 0.531 120.487 119.914 0.071 0.000 2.490 380 V HA -0.236 3.883 4.120 -0.002 0.000 0.250 380 V C 2.690 178.896 176.094 0.186 0.000 1.061 380 V CA 1.835 64.207 62.300 0.121 0.000 1.064 380 V CB -1.102 30.783 31.823 0.102 0.000 0.670 380 V HN 0.550 nan 8.190 nan 0.000 0.461 381 A N -0.611 122.249 122.820 0.067 0.000 1.902 381 A HA -0.252 4.067 4.320 -0.002 0.000 0.217 381 A C 2.006 179.600 177.584 0.016 0.000 1.181 381 A CA 2.107 54.057 52.037 -0.144 0.000 0.623 381 A CB -0.722 17.790 19.000 -0.813 0.000 0.818 381 A HN 0.655 nan 8.150 nan 0.000 0.443 382 H N -1.976 117.095 119.070 0.003 0.000 2.357 382 H HA -0.089 4.466 4.556 -0.002 0.000 0.301 382 H C 1.974 177.358 175.328 0.094 0.000 1.082 382 H CA 1.745 57.828 56.048 0.059 0.000 1.342 382 H CB -0.420 29.288 29.762 -0.090 0.000 1.389 382 H HN 0.815 nan 8.280 nan 0.000 0.511 383 H N 0.857 119.991 119.070 0.107 0.000 2.289 383 H HA -0.124 4.431 4.556 -0.002 0.000 0.296 383 H C 1.871 177.183 175.328 -0.026 0.000 1.091 383 H CA 1.940 57.992 56.048 0.007 0.000 1.274 383 H CB 0.231 30.005 29.762 0.021 0.000 1.364 383 H HN 0.216 nan 8.280 nan 0.000 0.490 384 E N 0.008 120.317 120.200 0.181 0.000 2.110 384 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 384 E C 2.188 178.837 176.600 0.082 0.000 0.988 384 E CA 0.767 57.302 56.400 0.224 0.000 0.804 384 E CB -0.158 29.800 29.700 0.429 0.000 0.745 384 E HN 0.579 nan 8.360 nan 0.000 0.458 385 M N -0.096 119.559 119.600 0.091 0.000 2.460 385 M HA -0.024 4.455 4.480 -0.002 0.000 0.263 385 M C 2.115 178.187 176.300 -0.380 0.000 1.071 385 M CA 0.913 56.150 55.300 -0.105 0.000 1.096 385 M CB -1.019 31.603 32.600 0.037 0.000 1.408 385 M HN 0.080 nan 8.290 nan 0.000 0.463 386 G N -0.873 107.840 108.800 -0.146 0.000 2.403 386 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.216 386 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.216 386 G C 1.398 176.104 174.900 -0.323 0.000 1.154 386 G CA 0.440 45.459 45.100 -0.137 0.000 0.784 386 G HN 0.411 nan 8.290 nan 0.000 0.538 387 H N 0.489 119.333 119.070 -0.377 0.000 2.326 387 H HA 0.018 4.573 4.556 -0.002 0.000 0.301 387 H C 2.765 177.515 175.328 -0.964 0.000 1.081 387 H CA 0.810 56.456 56.048 -0.670 0.000 1.334 387 H CB -0.143 29.189 29.762 -0.716 0.000 1.385 387 H HN 0.165 nan 8.280 nan 0.000 0.504 388 I N 1.111 121.368 120.570 -0.521 0.000 2.208 388 I HA -0.245 3.924 4.170 -0.002 0.000 0.245 388 I C 2.555 178.341 176.117 -0.552 0.000 1.097 388 I CA 1.184 62.222 61.300 -0.437 0.000 1.363 388 I CB -0.989 36.805 38.000 -0.344 0.000 1.051 388 I HN 0.226 nan 8.210 nan 0.000 0.413 389 Q N 0.360 119.784 119.800 -0.627 0.000 2.084 389 Q HA -0.224 4.115 4.340 -0.002 0.000 0.202 389 Q C 2.328 178.077 176.000 -0.418 0.000 0.978 389 Q CA 1.706 57.148 55.803 -0.601 0.000 0.844 389 Q CB -0.616 27.663 28.738 -0.765 0.000 0.898 389 Q HN 0.553 nan 8.270 nan 0.000 0.426 390 Y N -0.657 119.361 120.300 -0.470 0.000 2.145 390 Y HA -0.265 4.284 4.550 -0.002 0.000 0.286 390 Y C 1.797 177.193 175.900 -0.839 0.000 1.145 390 Y CA 1.405 59.207 58.100 -0.498 0.000 1.148 390 Y CB -0.162 38.155 38.460 -0.238 0.000 0.981 390 Y HN 0.173 nan 8.280 nan 0.000 0.507 391 F N -0.474 119.250 119.950 -0.376 0.000 2.087 391 F HA -0.419 4.107 4.527 -0.002 0.000 0.299 391 F C 2.418 177.961 175.800 -0.427 0.000 1.100 391 F CA 1.131 58.913 58.000 -0.363 0.000 1.226 391 F CB -0.419 38.548 39.000 -0.054 0.000 0.983 391 F HN 0.117 nan 8.300 nan 0.000 0.479 392 M N -0.715 118.630 119.600 -0.426 0.000 2.296 392 M HA -0.171 4.308 4.480 -0.002 0.000 0.265 392 M C 2.084 178.273 176.300 -0.186 0.000 1.064 392 M CA 1.121 56.167 55.300 -0.424 0.000 1.109 392 M CB -0.479 31.782 32.600 -0.565 0.000 1.396 392 M HN 0.167 nan 8.290 nan 0.000 0.430 393 Q N 0.155 119.819 119.800 -0.227 0.000 2.083 393 Q HA -0.109 4.230 4.340 -0.002 0.000 0.198 393 Q C 1.181 177.218 176.000 0.062 0.000 0.969 393 Q CA 1.367 57.102 55.803 -0.112 0.000 0.838 393 Q CB -0.185 28.449 28.738 -0.173 0.000 0.900 393 Q HN 0.770 nan 8.270 nan 0.000 0.436 394 Y N -0.413 119.983 120.300 0.159 0.000 2.681 394 Y HA 0.358 4.907 4.550 -0.002 0.000 0.267 394 Y C 1.049 177.047 175.900 0.164 0.000 1.166 394 Y CA -0.958 57.239 58.100 0.163 0.000 1.209 394 Y CB -0.807 37.775 38.460 0.204 0.000 1.161 394 Y HN -0.006 nan 8.280 nan 0.000 0.534 395 K N -0.689 119.989 120.400 0.463 0.000 2.442 395 K HA -0.088 4.231 4.320 -0.002 0.000 0.198 395 K C 0.013 176.768 176.600 0.258 0.000 1.044 395 K CA 1.647 58.175 56.287 0.401 0.000 0.948 395 K CB -0.037 32.681 32.500 0.363 0.000 0.762 395 K HN 0.139 nan 8.250 nan 0.000 0.472 396 D N 0.805 121.328 120.400 0.206 0.000 2.349 396 D HA 0.140 4.778 4.640 -0.002 0.000 0.214 396 D C 0.377 176.741 176.300 0.106 0.000 1.063 396 D CA 0.100 54.179 54.000 0.132 0.000 0.847 396 D CB 0.251 41.112 40.800 0.101 0.000 0.933 396 D HN 0.192 nan 8.370 nan 0.000 0.513 397 L N 0.934 122.232 121.223 0.126 0.000 2.454 397 L HA 0.311 4.650 4.340 -0.002 0.000 0.256 397 L C -2.083 174.816 176.870 0.048 0.000 1.136 397 L CA -1.896 52.989 54.840 0.074 0.000 0.804 397 L CB 0.305 42.400 42.059 0.061 0.000 1.181 397 L HN -0.346 nan 8.230 nan 0.000 0.469 398 P HA -0.046 nan 4.420 nan 0.000 0.268 398 P C 0.873 178.177 177.300 0.006 0.000 1.205 398 P CA -0.260 62.838 63.100 -0.003 0.000 0.771 398 P CB 0.595 32.293 31.700 -0.003 0.000 0.858 399 V N 1.534 121.426 119.914 -0.037 0.000 2.439 399 V HA -0.319 3.800 4.120 -0.002 0.000 0.253 399 V C 1.951 178.109 176.094 0.106 0.000 1.074 399 V CA 2.196 64.501 62.300 0.008 0.000 1.076 399 V CB -2.215 29.430 31.823 -0.296 0.000 0.664 399 V HN 0.548 nan 8.190 nan 0.000 0.461 400 A N 0.333 123.212 122.820 0.098 0.000 2.070 400 A HA 0.097 4.416 4.320 -0.002 0.000 0.220 400 A C 2.095 179.788 177.584 0.181 0.000 1.159 400 A CA 1.946 54.107 52.037 0.207 0.000 0.656 400 A CB -0.551 18.565 19.000 0.193 0.000 0.800 400 A HN 0.654 nan 8.150 nan 0.000 0.453 401 L N -1.531 119.755 121.223 0.104 0.000 2.693 401 L HA 0.179 4.518 4.340 -0.002 0.000 0.235 401 L C 0.680 177.485 176.870 -0.108 0.000 1.127 401 L CA -0.241 54.656 54.840 0.095 0.000 0.914 401 L CB 0.085 42.174 42.059 0.050 0.000 1.193 401 L HN 0.160 nan 8.230 nan 0.000 0.502 402 R N 1.816 122.204 120.500 -0.188 0.000 4.154 402 R HA 0.172 4.511 4.340 -0.002 0.000 0.186 402 R C -0.413 175.498 176.300 -0.649 0.000 1.750 402 R CA 0.276 55.976 56.100 -0.666 0.000 1.431 402 R CB -0.147 30.061 30.300 -0.152 0.000 1.383 402 R HN 0.371 nan 8.270 nan 0.000 0.788 403 E N -1.086 118.735 120.200 -0.630 0.000 2.458 403 E HA 0.387 4.736 4.350 -0.002 0.000 0.278 403 E C -0.230 176.163 176.600 -0.345 0.000 1.004 403 E CA -0.966 55.235 56.400 -0.332 0.000 0.823 403 E CB 1.466 30.982 29.700 -0.305 0.000 1.396 403 E HN 0.350 nan 8.360 nan 0.000 0.463 404 G N -0.324 108.188 108.800 -0.480 0.000 2.616 404 G HA2 0.336 4.295 3.960 -0.002 0.000 0.268 404 G HA3 0.336 4.295 3.960 -0.002 0.000 0.268 404 G C 0.761 175.626 174.900 -0.058 0.000 1.213 404 G CA 0.229 45.036 45.100 -0.488 0.000 0.926 404 G HN 0.522 nan 8.290 nan 0.000 0.523 405 A N 0.397 123.193 122.820 -0.039 0.000 1.917 405 A HA 0.019 4.338 4.320 -0.002 0.000 0.219 405 A C 1.155 178.780 177.584 0.068 0.000 1.182 405 A CA 2.134 54.087 52.037 -0.141 0.000 0.633 405 A CB -0.669 17.747 19.000 -0.973 0.000 0.819 405 A HN 1.228 nan 8.150 nan 0.000 0.448 406 N N -5.097 113.584 118.700 -0.032 0.000 2.745 406 N HA 0.385 5.124 4.740 -0.002 0.000 0.256 406 N C -2.829 172.641 175.510 -0.066 0.000 1.268 406 N CA -1.441 51.556 53.050 -0.089 0.000 0.887 406 N CB 0.622 39.039 38.487 -0.117 0.000 1.575 406 N HN -0.264 nan 8.380 nan 0.000 0.496 407 P HA -0.173 nan 4.420 nan 0.000 0.219 407 P C 1.327 178.682 177.300 0.092 0.000 1.153 407 P CA 2.611 65.644 63.100 -0.112 0.000 0.865 407 P CB -0.078 31.484 31.700 -0.231 0.000 0.788 408 G N -1.744 107.171 108.800 0.192 0.000 2.440 408 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.218 408 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.218 408 G C 1.215 176.272 174.900 0.261 0.000 1.154 408 G CA 0.510 45.748 45.100 0.229 0.000 0.767 408 G HN 0.152 nan 8.290 nan 0.000 0.552 409 F N 0.454 120.517 119.950 0.187 0.000 2.069 409 F HA -0.051 4.474 4.527 -0.002 0.000 0.298 409 F C 2.615 178.670 175.800 0.424 0.000 1.113 409 F CA 1.428 59.642 58.000 0.356 0.000 1.214 409 F CB -0.815 38.438 39.000 0.422 0.000 0.978 409 F HN 0.133 nan 8.300 nan 0.000 0.474 410 H N 0.586 119.910 119.070 0.423 0.000 2.353 410 H HA -0.134 4.421 4.556 -0.002 0.000 0.298 410 H C 2.098 177.515 175.328 0.149 0.000 1.103 410 H CA 1.775 57.990 56.048 0.278 0.000 1.293 410 H CB -0.170 29.652 29.762 0.101 0.000 1.372 410 H HN 0.200 nan 8.280 nan 0.000 0.501 411 E N -0.312 120.039 120.200 0.251 0.000 2.152 411 E HA -0.016 4.333 4.350 -0.002 0.000 0.192 411 E C 2.317 178.942 176.600 0.041 0.000 0.983 411 E CA 0.827 57.294 56.400 0.112 0.000 0.818 411 E CB -0.236 29.535 29.700 0.119 0.000 0.758 411 E HN 0.495 nan 8.360 nan 0.000 0.467 412 A N 1.423 124.282 122.820 0.066 0.000 1.930 412 A HA -0.073 4.246 4.320 -0.002 0.000 0.215 412 A C 2.107 179.686 177.584 -0.007 0.000 1.176 412 A CA 0.396 52.422 52.037 -0.019 0.000 0.632 412 A CB -0.272 18.643 19.000 -0.141 0.000 0.819 412 A HN 0.072 nan 8.150 nan 0.000 0.445 413 I N 0.588 121.203 120.570 0.075 0.000 2.094 413 I HA -0.324 3.845 4.170 -0.002 0.000 0.236 413 I C 2.672 178.783 176.117 -0.011 0.000 1.016 413 I CA 2.039 63.370 61.300 0.052 0.000 1.294 413 I CB -2.016 36.013 38.000 0.049 0.000 1.006 413 I HN 0.340 nan 8.210 nan 0.000 0.397 414 G N 0.086 108.850 108.800 -0.059 0.000 2.442 414 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.219 414 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.219 414 G C 1.248 176.085 174.900 -0.106 0.000 1.141 414 G CA 1.079 46.171 45.100 -0.014 0.000 0.763 414 G HN 0.375 nan 8.290 nan 0.000 0.554 415 D N -0.099 120.228 120.400 -0.121 0.000 2.178 415 D HA -0.055 4.584 4.640 -0.002 0.000 0.201 415 D C 2.695 178.779 176.300 -0.360 0.000 0.980 415 D CA 0.391 54.257 54.000 -0.224 0.000 0.842 415 D CB -0.131 40.514 40.800 -0.258 0.000 0.948 415 D HN 0.212 nan 8.370 nan 0.000 0.472 416 V N 0.380 120.122 119.914 -0.287 0.000 2.261 416 V HA -0.232 3.887 4.120 -0.002 0.000 0.246 416 V C 2.337 178.221 176.094 -0.349 0.000 1.047 416 V CA 1.211 63.341 62.300 -0.283 0.000 1.015 416 V CB -0.410 31.360 31.823 -0.088 0.000 0.642 416 V HN 0.162 nan 8.190 nan 0.000 0.446 417 L N 0.383 121.349 121.223 -0.428 0.000 2.046 417 L HA -0.094 4.244 4.340 -0.002 0.000 0.208 417 L C 2.624 178.990 176.870 -0.841 0.000 1.077 417 L CA 2.166 56.557 54.840 -0.749 0.000 0.747 417 L CB -1.132 40.324 42.059 -1.005 0.000 0.896 417 L HN 0.285 nan 8.230 nan 0.000 0.432 418 A N -0.683 121.758 122.820 -0.631 0.000 1.986 418 A HA -0.221 4.098 4.320 -0.002 0.000 0.220 418 A C 2.302 179.575 177.584 -0.519 0.000 1.171 418 A CA 1.746 53.412 52.037 -0.617 0.000 0.640 418 A CB -0.883 17.873 19.000 -0.408 0.000 0.811 418 A HN 0.420 nan 8.150 nan 0.000 0.451 419 L N -0.675 120.238 121.223 -0.516 0.000 2.127 419 L HA -0.178 4.161 4.340 -0.002 0.000 0.211 419 L C 2.728 179.401 176.870 -0.329 0.000 1.089 419 L CA 1.545 56.080 54.840 -0.509 0.000 0.757 419 L CB -0.346 41.194 42.059 -0.865 0.000 0.899 419 L HN 0.355 nan 8.230 nan 0.000 0.434 420 S N -0.966 114.543 115.700 -0.319 0.000 2.406 420 S HA -0.069 4.399 4.470 -0.002 0.000 0.224 420 S C 1.997 176.447 174.600 -0.250 0.000 1.030 420 S CA 0.589 58.707 58.200 -0.136 0.000 0.958 420 S CB 0.102 63.342 63.200 0.066 0.000 0.811 420 S HN 0.136 nan 8.310 nan 0.000 0.489 421 V N 1.999 121.608 119.914 -0.508 0.000 2.407 421 V HA -0.135 3.983 4.120 -0.002 0.000 0.248 421 V C 2.135 178.122 176.094 -0.178 0.000 1.055 421 V CA 1.761 63.757 62.300 -0.507 0.000 1.049 421 V CB -0.790 30.631 31.823 -0.670 0.000 0.662 421 V HN 0.419 nan 8.190 nan 0.000 0.455 422 S N -0.332 115.265 115.700 -0.171 0.000 2.515 422 S HA -0.045 4.423 4.470 -0.002 0.000 0.231 422 S C 1.123 175.733 174.600 0.016 0.000 0.987 422 S CA 0.758 58.939 58.200 -0.032 0.000 0.936 422 S CB -0.469 62.740 63.200 0.015 0.000 0.766 422 S HN 0.847 nan 8.310 nan 0.000 0.528 423 T N 1.034 115.552 114.554 -0.059 0.000 2.916 423 T HA 0.152 4.501 4.350 -0.002 0.000 0.303 423 T C -1.924 172.584 174.700 -0.319 0.000 1.025 423 T CA -1.388 60.528 62.100 -0.307 0.000 1.142 423 T CB 0.703 69.478 68.868 -0.154 0.000 0.947 423 T HN -0.100 nan 8.240 nan 0.000 0.544 424 P HA -0.183 nan 4.420 nan 0.000 0.217 424 P C 1.664 178.876 177.300 -0.147 0.000 1.162 424 P CA 1.307 64.213 63.100 -0.322 0.000 0.901 424 P CB 0.073 31.542 31.700 -0.385 0.000 0.793 425 K N -1.444 118.877 120.400 -0.131 0.000 2.034 425 K HA -0.285 4.033 4.320 -0.002 0.000 0.214 425 K C 2.237 178.831 176.600 -0.010 0.000 1.051 425 K CA 1.986 58.255 56.287 -0.030 0.000 0.931 425 K CB -0.629 31.855 32.500 -0.027 0.000 0.715 425 K HN 0.174 nan 8.250 nan 0.000 0.446 426 H N 0.136 119.154 119.070 -0.086 0.000 2.353 426 H HA -0.021 4.534 4.556 -0.002 0.000 0.300 426 H C 1.914 177.192 175.328 -0.082 0.000 1.090 426 H CA 1.716 57.712 56.048 -0.086 0.000 1.327 426 H CB -0.020 29.723 29.762 -0.031 0.000 1.383 426 H HN 0.131 nan 8.280 nan 0.000 0.508 427 L N -0.355 120.883 121.223 0.025 0.000 2.131 427 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 427 L C 2.519 179.364 176.870 -0.043 0.000 1.092 427 L CA 1.657 56.483 54.840 -0.024 0.000 0.759 427 L CB -0.584 41.446 42.059 -0.048 0.000 0.903 427 L HN 0.585 nan 8.230 nan 0.000 0.435 428 H N -0.411 118.579 119.070 -0.133 0.000 2.428 428 H HA -0.109 4.446 4.556 -0.002 0.000 0.296 428 H C 2.260 177.510 175.328 -0.130 0.000 1.062 428 H CA 1.289 57.263 56.048 -0.123 0.000 1.350 428 H CB 0.412 30.099 29.762 -0.123 0.000 1.403 428 H HN 0.374 nan 8.280 nan 0.000 0.533 429 S N 0.413 115.872 115.700 -0.402 0.000 2.515 429 S HA -0.022 4.447 4.470 -0.002 0.000 0.231 429 S C 1.751 176.151 174.600 -0.334 0.000 0.987 429 S CA 0.426 58.341 58.200 -0.474 0.000 0.936 429 S CB -0.274 62.633 63.200 -0.489 0.000 0.766 429 S HN 0.411 nan 8.310 nan 0.000 0.528 430 L N 0.872 121.963 121.223 -0.220 0.000 2.667 430 L HA 0.351 4.690 4.340 -0.002 0.000 0.232 430 L C 0.690 177.597 176.870 0.062 0.000 1.138 430 L CA -0.117 54.717 54.840 -0.011 0.000 0.921 430 L CB -0.621 41.499 42.059 0.100 0.000 1.180 430 L HN 0.266 nan 8.230 nan 0.000 0.487 431 N N 0.085 118.761 118.700 -0.040 0.000 2.747 431 N HA -0.218 4.521 4.740 -0.002 0.000 0.249 431 N C 0.443 175.969 175.510 0.028 0.000 1.107 431 N CA 0.624 53.684 53.050 0.017 0.000 0.707 431 N CB -1.077 37.438 38.487 0.047 0.000 1.054 431 N HN 0.331 nan 8.380 nan 0.000 0.555 432 L N -1.535 119.675 121.223 -0.022 0.000 2.556 432 L HA 0.298 4.636 4.340 -0.002 0.000 0.226 432 L C 0.814 177.651 176.870 -0.056 0.000 1.089 432 L CA 0.388 55.173 54.840 -0.091 0.000 0.864 432 L CB 0.136 42.074 42.059 -0.202 0.000 1.067 432 L HN 0.144 nan 8.230 nan 0.000 0.477 433 L N -1.255 119.965 121.223 -0.006 0.000 2.333 433 L HA 0.282 4.621 4.340 -0.002 0.000 0.263 433 L C 1.073 177.945 176.870 0.002 0.000 1.014 433 L CA -0.194 54.632 54.840 -0.023 0.000 0.820 433 L CB 2.383 44.407 42.059 -0.058 0.000 1.352 433 L HN -0.056 nan 8.230 nan 0.000 0.421 434 S N -1.081 114.560 115.700 -0.100 0.000 2.425 434 S HA 0.128 4.597 4.470 -0.002 0.000 0.225 434 S C 0.659 174.967 174.600 -0.486 0.000 1.024 434 S CA -0.102 57.990 58.200 -0.181 0.000 0.951 434 S CB 0.222 63.350 63.200 -0.120 0.000 0.796 434 S HN 0.537 nan 8.310 nan 0.000 0.498 438 G N 1.163 109.940 108.800 -0.038 0.000 2.981 438 G HA2 0.118 4.077 3.960 -0.002 0.000 0.198 438 G HA3 0.118 4.077 3.960 -0.002 0.000 0.198 438 G C 1.065 175.980 174.900 0.026 0.000 1.806 438 G CA 0.507 45.605 45.100 -0.004 0.000 1.374 438 G HN 2.205 nan 8.290 nan 0.000 0.555 439 S N 1.536 117.273 115.700 0.062 0.000 2.568 439 S HA 0.383 4.852 4.470 -0.002 0.000 0.282 439 S C 0.786 175.367 174.600 -0.031 0.000 1.338 439 S CA 0.805 59.010 58.200 0.009 0.000 1.045 439 S CB 1.341 64.530 63.200 -0.019 0.000 0.873 439 S HN 0.278 nan 8.310 nan 0.000 0.516 440 D N 1.423 121.763 120.400 -0.099 0.000 2.218 440 D HA -0.076 4.563 4.640 -0.002 0.000 0.204 440 D C 1.784 177.903 176.300 -0.301 0.000 0.976 440 D CA 1.289 55.211 54.000 -0.130 0.000 0.853 440 D CB -0.090 40.643 40.800 -0.113 0.000 0.939 440 D HN 0.798 nan 8.370 nan 0.000 0.481 441 E N -0.239 119.654 120.200 -0.511 0.000 2.072 441 E HA -0.129 4.219 4.350 -0.002 0.000 0.190 441 E C 1.854 178.227 176.600 -0.378 0.000 0.982 441 E CA 0.583 56.410 56.400 -0.953 0.000 0.803 441 E CB -0.121 28.913 29.700 -1.110 0.000 0.755 441 E HN 0.409 nan 8.360 nan 0.000 0.453 442 H N 0.608 119.578 119.070 -0.166 0.000 2.491 442 H HA -0.063 4.492 4.556 -0.002 0.000 0.290 442 H C 1.566 176.912 175.328 0.030 0.000 1.050 442 H CA 1.061 57.090 56.048 -0.032 0.000 1.309 442 H CB 0.113 29.853 29.762 -0.036 0.000 1.392 442 H HN 0.149 nan 8.280 nan 0.000 0.554 443 D N 0.108 120.575 120.400 0.111 0.000 2.137 443 D HA -0.083 4.556 4.640 -0.002 0.000 0.202 443 D C 2.189 178.524 176.300 0.059 0.000 0.970 443 D CA 0.273 54.356 54.000 0.138 0.000 0.837 443 D CB 0.109 40.973 40.800 0.108 0.000 0.981 443 D HN 0.152 nan 8.370 nan 0.000 0.475 444 I N 0.896 121.433 120.570 -0.055 0.000 2.439 444 I HA -0.130 4.038 4.170 -0.002 0.000 0.251 444 I C 1.678 177.749 176.117 -0.077 0.000 1.139 444 I CA 0.697 61.907 61.300 -0.150 0.000 1.438 444 I CB -0.849 36.966 38.000 -0.308 0.000 1.085 444 I HN 0.027 nan 8.210 nan 0.000 0.427 445 N N 0.758 119.509 118.700 0.085 0.000 2.188 445 N HA -0.185 4.554 4.740 -0.002 0.000 0.184 445 N C 1.728 177.414 175.510 0.294 0.000 1.018 445 N CA 0.941 54.131 53.050 0.234 0.000 0.858 445 N CB -0.444 38.248 38.487 0.341 0.000 0.989 445 N HN 0.271 nan 8.380 nan 0.000 0.426 446 F N 1.418 121.424 119.950 0.094 0.000 2.163 446 F HA 0.067 4.593 4.527 -0.002 0.000 0.297 446 F C 1.915 177.767 175.800 0.086 0.000 1.094 446 F CA 0.872 58.907 58.000 0.059 0.000 1.290 446 F CB -0.537 38.491 39.000 0.046 0.000 1.017 446 F HN -0.076 nan 8.300 nan 0.000 0.483 447 L N -0.369 120.710 121.223 -0.240 0.000 2.131 447 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 447 L C 2.473 179.337 176.870 -0.010 0.000 1.092 447 L CA 1.426 56.113 54.840 -0.254 0.000 0.759 447 L CB -0.599 41.361 42.059 -0.165 0.000 0.903 447 L HN 0.314 nan 8.230 nan 0.000 0.435 448 M N 0.393 120.001 119.600 0.014 0.000 2.099 448 M HA -0.202 4.277 4.480 -0.002 0.000 0.262 448 M C 2.162 178.568 176.300 0.175 0.000 1.067 448 M CA 1.837 57.190 55.300 0.089 0.000 1.124 448 M CB -0.293 32.364 32.600 0.095 0.000 1.353 448 M HN -0.117 nan 8.290 nan 0.000 0.410 449 K N -0.040 120.476 120.400 0.194 0.000 2.074 449 K HA -0.126 4.193 4.320 -0.002 0.000 0.209 449 K C 1.765 178.402 176.600 0.062 0.000 1.048 449 K CA 1.942 58.289 56.287 0.101 0.000 0.926 449 K CB -0.306 32.098 32.500 -0.160 0.000 0.713 449 K HN 0.380 nan 8.250 nan 0.000 0.444 450 M N -0.192 119.405 119.600 -0.005 0.000 2.132 450 M HA -0.006 4.473 4.480 -0.002 0.000 0.263 450 M C 2.288 178.745 176.300 0.261 0.000 1.065 450 M CA 1.627 56.986 55.300 0.099 0.000 1.122 450 M CB -1.013 31.606 32.600 0.032 0.000 1.365 450 M HN 0.304 nan 8.290 nan 0.000 0.411 451 A N 0.526 123.460 122.820 0.191 0.000 1.933 451 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 451 A C 2.227 179.760 177.584 -0.084 0.000 1.175 451 A CA 1.231 53.146 52.037 -0.204 0.000 0.628 451 A CB -0.958 17.836 19.000 -0.343 0.000 0.814 451 A HN 0.473 nan 8.150 nan 0.000 0.444 452 L N -0.966 120.289 121.223 0.053 0.000 2.265 452 L HA -0.179 4.159 4.340 -0.002 0.000 0.215 452 L C 2.158 179.061 176.870 0.055 0.000 1.117 452 L CA 1.594 56.494 54.840 0.101 0.000 0.782 452 L CB -0.365 41.849 42.059 0.257 0.000 0.914 452 L HN 0.450 nan 8.230 nan 0.000 0.441 453 D N -0.717 119.740 120.400 0.094 0.000 2.355 453 D HA -0.094 4.545 4.640 -0.002 0.000 0.233 453 D C 2.180 178.614 176.300 0.223 0.000 0.997 453 D CA 0.747 54.822 54.000 0.125 0.000 0.920 453 D CB 0.319 41.185 40.800 0.109 0.000 1.063 453 D HN -0.120 nan 8.370 nan 0.000 0.465 454 K N 0.609 121.181 120.400 0.287 0.000 2.007 454 K HA -0.013 4.306 4.320 -0.002 0.000 0.206 454 K C 2.161 178.953 176.600 0.320 0.000 1.047 454 K CA 0.603 57.179 56.287 0.481 0.000 0.937 454 K CB -0.449 32.359 32.500 0.513 0.000 0.718 454 K HN 0.269 nan 8.250 nan 0.000 0.438 455 I N 1.443 122.007 120.570 -0.010 0.000 2.202 455 I HA -0.150 4.019 4.170 -0.002 0.000 0.242 455 I C 2.450 178.497 176.117 -0.116 0.000 1.091 455 I CA 1.122 62.342 61.300 -0.133 0.000 1.368 455 I CB -1.527 36.272 38.000 -0.336 0.000 1.058 455 I HN 0.011 nan 8.210 nan 0.000 0.410 456 A N 0.503 123.175 122.820 -0.247 0.000 1.978 456 A HA -0.273 4.046 4.320 -0.002 0.000 0.220 456 A C 2.256 179.672 177.584 -0.280 0.000 1.170 456 A CA 1.515 53.221 52.037 -0.552 0.000 0.636 456 A CB -1.089 17.136 19.000 -1.292 0.000 0.810 456 A HN 0.396 nan 8.150 nan 0.000 0.448 457 F N 0.406 120.211 119.950 -0.243 0.000 2.325 457 F HA -0.073 4.452 4.527 -0.002 0.000 0.299 457 F C 1.861 177.588 175.800 -0.121 0.000 1.090 457 F CA 0.410 58.296 58.000 -0.189 0.000 1.392 457 F CB -0.031 38.746 39.000 -0.371 0.000 1.053 457 F HN 0.111 nan 8.300 nan 0.000 0.521 458 I N 2.336 122.831 120.570 -0.124 0.000 2.091 458 I HA -0.242 3.927 4.170 -0.002 0.000 0.239 458 I C -0.190 175.937 176.117 0.018 0.000 1.061 458 I CA 1.896 63.171 61.300 -0.042 0.000 1.317 458 I CB -2.779 35.211 38.000 -0.016 0.000 1.031 458 I HN 0.093 nan 8.210 nan 0.000 0.401 459 P HA -0.219 nan 4.420 nan 0.000 0.218 459 P C 1.974 179.220 177.300 -0.089 0.000 1.149 459 P CA 1.571 64.705 63.100 0.056 0.000 0.817 459 P CB -0.281 31.333 31.700 -0.144 0.000 0.785 460 F N 2.684 122.453 119.950 -0.302 0.000 2.060 460 F HA -0.158 4.368 4.527 -0.002 0.000 0.295 460 F C 2.453 177.995 175.800 -0.430 0.000 1.120 460 F CA 2.183 59.974 58.000 -0.348 0.000 1.205 460 F CB -0.947 37.878 39.000 -0.291 0.000 0.986 460 F HN -0.065 nan 8.300 nan 0.000 0.470 461 S N -0.977 114.379 115.700 -0.575 0.000 2.440 461 S HA -0.295 4.174 4.470 -0.002 0.000 0.238 461 S C 1.900 176.350 174.600 -0.251 0.000 1.010 461 S CA 1.293 59.264 58.200 -0.381 0.000 0.972 461 S CB -1.395 61.424 63.200 -0.635 0.000 0.774 461 S HN 0.624 nan 8.310 nan 0.000 0.501 462 Y N 1.544 121.514 120.300 -0.550 0.000 2.314 462 Y HA 0.287 4.836 4.550 -0.002 0.000 0.294 462 Y C 2.021 177.358 175.900 -0.937 0.000 1.119 462 Y CA 0.620 58.164 58.100 -0.927 0.000 1.179 462 Y CB -0.344 37.441 38.460 -1.124 0.000 1.025 462 Y HN 0.310 nan 8.280 nan 0.000 0.541 463 L N -0.945 119.791 121.223 -0.811 0.000 1.976 463 L HA -0.191 4.148 4.340 -0.002 0.000 0.209 463 L C 2.143 178.584 176.870 -0.716 0.000 1.071 463 L CA 1.752 56.122 54.840 -0.783 0.000 0.746 463 L CB -0.784 40.881 42.059 -0.656 0.000 0.890 463 L HN 0.083 nan 8.230 nan 0.000 0.432 464 V N 0.469 119.895 119.914 -0.813 0.000 2.252 464 V HA -0.413 3.706 4.120 -0.002 0.000 0.255 464 V C 2.041 177.936 176.094 -0.332 0.000 1.071 464 V CA 2.461 64.411 62.300 -0.582 0.000 1.050 464 V CB -0.829 30.460 31.823 -0.891 0.000 0.654 464 V HN 0.560 nan 8.190 nan 0.000 0.448 465 D N -1.532 118.546 120.400 -0.537 0.000 2.347 465 D HA -0.041 4.598 4.640 -0.002 0.000 0.213 465 D C 2.317 177.940 176.300 -1.128 0.000 0.985 465 D CA 0.289 53.812 54.000 -0.794 0.000 0.879 465 D CB -0.087 40.110 40.800 -1.005 0.000 0.919 465 D HN 0.391 nan 8.370 nan 0.000 0.526 466 Q N -1.053 118.232 119.800 -0.859 0.000 2.172 466 Q HA -0.108 4.231 4.340 -0.002 0.000 0.200 466 Q C 1.860 177.754 176.000 -0.176 0.000 0.964 466 Q CA 0.639 56.108 55.803 -0.556 0.000 0.855 466 Q CB -0.257 28.144 28.738 -0.562 0.000 0.918 466 Q HN 0.485 nan 8.270 nan 0.000 0.444 467 W N 1.439 122.552 121.300 -0.312 0.000 2.444 467 W HA -0.027 4.631 4.660 -0.002 0.000 0.308 467 W C 2.153 178.596 176.519 -0.127 0.000 1.183 467 W CA 1.046 58.316 57.345 -0.126 0.000 1.340 467 W CB -0.035 29.414 29.460 -0.018 0.000 1.138 467 W HN -0.049 nan 8.180 nan 0.000 0.510 468 R N -0.652 119.798 120.500 -0.084 0.000 2.092 468 R HA -0.178 4.160 4.340 -0.002 0.000 0.231 468 R C 1.990 178.047 176.300 -0.404 0.000 1.119 468 R CA 1.657 57.502 56.100 -0.425 0.000 0.970 468 R CB -0.879 29.305 30.300 -0.193 0.000 0.864 468 R HN 0.239 nan 8.270 nan 0.000 0.440 469 W N 0.811 121.995 121.300 -0.195 0.000 2.402 469 W HA -0.045 4.614 4.660 -0.002 0.000 0.286 469 W C 1.935 178.383 176.519 -0.118 0.000 1.221 469 W CA 0.511 57.809 57.345 -0.079 0.000 1.257 469 W CB -0.469 28.971 29.460 -0.034 0.000 1.120 469 W HN 0.077 nan 8.180 nan 0.000 0.551 470 R N -0.415 120.106 120.500 0.035 0.000 2.153 470 R HA -0.023 4.316 4.340 -0.002 0.000 0.218 470 R C 1.927 178.141 176.300 -0.142 0.000 1.072 470 R CA 0.891 56.965 56.100 -0.043 0.000 0.990 470 R CB -0.559 29.705 30.300 -0.060 0.000 0.889 470 R HN 0.078 nan 8.270 nan 0.000 0.452 471 V N 0.295 120.001 119.914 -0.348 0.000 2.379 471 V HA -0.167 3.952 4.120 -0.002 0.000 0.245 471 V C 1.944 177.959 176.094 -0.131 0.000 1.044 471 V CA 1.607 63.693 62.300 -0.356 0.000 1.036 471 V CB -0.481 30.896 31.823 -0.744 0.000 0.664 471 V HN 0.205 nan 8.190 nan 0.000 0.453 472 F N 1.537 121.404 119.950 -0.139 0.000 2.146 472 F HA -0.157 4.369 4.527 -0.002 0.000 0.298 472 F C 2.179 177.905 175.800 -0.123 0.000 1.096 472 F CA 1.164 59.065 58.000 -0.165 0.000 1.275 472 F CB -0.226 38.642 39.000 -0.220 0.000 1.008 472 F HN 0.409 nan 8.300 nan 0.000 0.480 473 D N -0.560 119.903 120.400 0.106 0.000 2.336 473 D HA 0.110 4.748 4.640 -0.002 0.000 0.229 473 D C 1.580 177.890 176.300 0.016 0.000 1.061 473 D CA 0.810 54.834 54.000 0.039 0.000 0.875 473 D CB -0.087 40.730 40.800 0.027 0.000 0.904 473 D HN 0.320 nan 8.370 nan 0.000 0.525 474 G N -0.088 108.722 108.800 0.016 0.000 2.184 474 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.264 474 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.264 474 G C 1.280 176.179 174.900 -0.002 0.000 0.975 474 G CA 0.715 45.818 45.100 0.004 0.000 0.642 474 G HN 0.582 nan 8.290 nan 0.000 0.536 475 S N -0.641 115.057 115.700 -0.003 0.000 2.481 475 S HA 0.325 4.794 4.470 -0.002 0.000 0.231 475 S C 0.900 175.500 174.600 0.000 0.000 0.996 475 S CA 0.916 59.117 58.200 0.002 0.000 0.942 475 S CB 0.248 63.454 63.200 0.010 0.000 0.768 475 S HN 0.610 nan 8.310 nan 0.000 0.520 476 I N 2.853 123.413 120.570 -0.016 0.000 2.411 476 I HA 0.273 4.442 4.170 -0.002 0.000 0.284 476 I C 0.321 176.443 176.117 0.009 0.000 1.012 476 I CA -0.618 60.683 61.300 0.002 0.000 1.119 476 I CB 1.942 39.914 38.000 -0.047 0.000 1.261 476 I HN 0.085 nan 8.210 nan 0.000 0.448 477 T N 1.359 115.889 114.554 -0.039 0.000 2.810 477 T HA 0.245 4.594 4.350 -0.002 0.000 0.277 477 T C 1.043 175.456 174.700 -0.478 0.000 0.973 477 T CA -0.704 61.310 62.100 -0.144 0.000 0.949 477 T CB 1.196 69.997 68.868 -0.111 0.000 1.075 477 T HN 0.761 nan 8.240 nan 0.000 0.537 478 K N -0.289 119.680 120.400 -0.717 0.000 2.504 478 K HA 0.000 4.319 4.320 -0.002 0.000 0.195 478 K C 1.695 177.925 176.600 -0.615 0.000 1.036 478 K CA 1.082 56.546 56.287 -1.371 0.000 0.984 478 K CB -0.067 32.024 32.500 -0.682 0.000 0.788 478 K HN 0.696 nan 8.250 nan 0.000 0.488 479 E N 0.711 120.724 120.200 -0.310 0.000 2.216 479 E HA -0.009 4.340 4.350 -0.002 0.000 0.192 479 E C 0.623 177.205 176.600 -0.029 0.000 0.988 479 E CA 0.685 57.013 56.400 -0.119 0.000 0.834 479 E CB 0.322 29.980 29.700 -0.070 0.000 0.772 479 E HN 0.392 nan 8.360 nan 0.000 0.479 480 N N -0.890 117.800 118.700 -0.017 0.000 2.200 480 N HA 0.052 4.791 4.740 -0.002 0.000 0.224 480 N C 0.295 176.006 175.510 0.336 0.000 1.179 480 N CA -0.068 53.065 53.050 0.139 0.000 0.877 480 N CB 0.244 38.803 38.487 0.120 0.000 1.072 480 N HN 0.249 nan 8.380 nan 0.000 0.519 481 Y N 1.733 122.229 120.300 0.326 0.000 1.977 481 Y HA -0.361 4.188 4.550 -0.002 0.000 0.264 481 Y C 2.371 178.658 175.900 0.646 0.000 1.167 481 Y CA 1.388 59.828 58.100 0.568 0.000 1.102 481 Y CB -0.145 38.715 38.460 0.668 0.000 0.948 481 Y HN 0.128 nan 8.280 nan 0.000 0.489 482 N N -0.309 118.778 118.700 0.646 0.000 2.084 482 N HA -0.191 4.548 4.740 -0.002 0.000 0.190 482 N C 1.630 177.473 175.510 0.555 0.000 1.030 482 N CA 1.611 54.953 53.050 0.487 0.000 0.849 482 N CB -0.217 38.516 38.487 0.410 0.000 1.012 482 N HN 0.255 nan 8.380 nan 0.000 0.423 483 Q N 0.350 120.419 119.800 0.449 0.000 2.077 483 Q HA -0.131 4.208 4.340 -0.002 0.000 0.206 483 Q C 1.714 177.950 176.000 0.395 0.000 0.989 483 Q CA 1.359 57.393 55.803 0.384 0.000 0.853 483 Q CB -0.176 28.720 28.738 0.263 0.000 0.907 483 Q HN 0.357 nan 8.270 nan 0.000 0.418 484 E N -0.532 119.921 120.200 0.421 0.000 2.204 484 E HA -0.152 4.197 4.350 -0.002 0.000 0.194 484 E C 1.464 178.332 176.600 0.447 0.000 0.989 484 E CA 0.498 57.140 56.400 0.404 0.000 0.824 484 E CB -0.347 29.595 29.700 0.403 0.000 0.756 484 E HN 0.554 nan 8.360 nan 0.000 0.477 485 W N -0.046 121.392 121.300 0.230 0.000 2.379 485 W HA -0.191 4.468 4.660 -0.002 0.000 0.307 485 W C 1.142 177.495 176.519 -0.277 0.000 1.200 485 W CA 0.825 58.014 57.345 -0.260 0.000 1.297 485 W CB -0.585 28.456 29.460 -0.699 0.000 1.140 485 W HN 0.090 nan 8.180 nan 0.000 0.507 486 W N 1.032 122.414 121.300 0.136 0.000 2.519 486 W HA -0.099 4.561 4.660 -0.001 0.000 0.266 486 W C 2.836 179.364 176.519 0.016 0.000 1.253 486 W CA 1.438 58.805 57.345 0.037 0.000 1.274 486 W CB -0.622 28.930 29.460 0.155 0.000 1.114 486 W HN -0.265 nan 8.180 nan 0.000 0.596 487 S N 0.689 116.520 115.700 0.218 0.000 2.368 487 S HA -0.151 4.317 4.470 -0.002 0.000 0.224 487 S C 1.794 176.423 174.600 0.049 0.000 1.029 487 S CA 1.124 59.413 58.200 0.149 0.000 0.988 487 S CB -0.573 62.710 63.200 0.139 0.000 0.838 487 S HN 0.193 nan 8.310 nan 0.000 0.462 488 L N 0.848 122.057 121.223 -0.024 0.000 2.156 488 L HA -0.012 4.327 4.340 -0.002 0.000 0.208 488 L C 2.725 179.525 176.870 -0.117 0.000 1.095 488 L CA 0.809 55.602 54.840 -0.078 0.000 0.770 488 L CB -0.381 41.648 42.059 -0.050 0.000 0.914 488 L HN 0.154 nan 8.230 nan 0.000 0.439 489 R N -0.026 120.292 120.500 -0.304 0.000 2.096 489 R HA -0.143 4.196 4.340 -0.002 0.000 0.235 489 R C 2.154 178.461 176.300 0.011 0.000 1.127 489 R CA 1.278 57.197 56.100 -0.302 0.000 0.968 489 R CB -0.618 29.314 30.300 -0.613 0.000 0.861 489 R HN 0.273 nan 8.270 nan 0.000 0.440 490 L N 1.264 122.551 121.223 0.107 0.000 2.034 490 L HA -0.041 4.298 4.340 -0.002 0.000 0.203 490 L C 2.374 179.496 176.870 0.420 0.000 1.074 490 L CA 1.825 56.770 54.840 0.176 0.000 0.748 490 L CB -0.591 41.605 42.059 0.228 0.000 0.905 490 L HN -0.064 nan 8.230 nan 0.000 0.439 491 K N -1.456 119.101 120.400 0.262 0.000 2.044 491 K HA -0.245 4.074 4.320 -0.002 0.000 0.210 491 K C 2.071 178.800 176.600 0.215 0.000 1.049 491 K CA 2.405 58.781 56.287 0.149 0.000 0.927 491 K CB -0.400 31.936 32.500 -0.274 0.000 0.713 491 K HN 0.483 nan 8.250 nan 0.000 0.443 492 Y N -0.285 120.207 120.300 0.321 0.000 2.262 492 Y HA 0.013 4.562 4.550 -0.002 0.000 0.295 492 Y C 2.399 178.577 175.900 0.463 0.000 1.121 492 Y CA 0.575 58.883 58.100 0.348 0.000 1.144 492 Y CB 0.254 38.746 38.460 0.055 0.000 1.043 492 Y HN 0.092 nan 8.280 nan 0.000 0.528 493 Q N -0.563 119.498 119.800 0.435 0.000 2.402 493 Q HA 0.145 4.484 4.340 -0.002 0.000 0.206 493 Q C 0.940 177.007 176.000 0.112 0.000 0.919 493 Q CA 0.521 56.543 55.803 0.364 0.000 0.923 493 Q CB 0.600 29.507 28.738 0.281 0.000 1.048 493 Q HN 0.590 nan 8.270 nan 0.000 0.515 494 G N 1.408 109.886 108.800 -0.537 0.000 2.256 494 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.272 494 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.272 494 G C -0.408 174.150 174.900 -0.570 0.000 1.076 494 G CA 0.025 43.978 45.100 -1.912 0.000 0.882 494 G HN 0.185 nan 8.290 nan 0.000 0.497 495 L N -0.667 120.421 121.223 -0.225 0.000 2.354 495 L HA 0.786 5.124 4.340 -0.002 0.000 0.269 495 L C 0.830 177.773 176.870 0.122 0.000 1.005 495 L CA -1.003 53.843 54.840 0.011 0.000 0.819 495 L CB 2.299 44.454 42.059 0.160 0.000 1.311 495 L HN 0.586 nan 8.230 nan 0.000 0.423 496 C N 0.542 119.897 119.300 0.090 0.000 2.707 496 C HA 0.787 5.246 4.460 -0.002 0.000 0.313 496 C C -2.752 172.132 174.990 -0.176 0.000 1.209 496 C CA -2.308 56.722 59.018 0.020 0.000 1.635 496 C CB 2.214 29.923 27.740 -0.051 0.000 2.206 496 C HN 0.505 nan 8.230 nan 0.000 0.485 497 P HA 0.292 nan 4.420 nan 0.000 0.287 497 P C -1.897 175.047 177.300 -0.593 0.000 1.281 497 P CA -1.015 61.567 63.100 -0.862 0.000 0.781 497 P CB 1.105 31.974 31.700 -1.386 0.000 0.903 498 P HA -0.107 nan 4.420 nan 0.000 0.218 498 P C 0.268 177.347 177.300 -0.369 0.000 1.146 498 P CA 1.125 63.869 63.100 -0.592 0.000 0.813 498 P CB 0.377 31.355 31.700 -1.204 0.000 0.778 499 V N 2.845 122.570 119.914 -0.315 0.000 2.487 499 V HA 0.287 4.406 4.120 -0.002 0.000 0.298 499 V C -2.235 173.784 176.094 -0.125 0.000 1.028 499 V CA -2.272 59.951 62.300 -0.128 0.000 0.860 499 V CB 2.009 33.826 31.823 -0.011 0.000 0.991 499 V HN -0.026 nan 8.190 nan 0.000 0.427 500 P HA 0.081 nan 4.420 nan 0.000 0.264 500 P C -0.725 176.528 177.300 -0.079 0.000 1.183 500 P CA -0.222 62.810 63.100 -0.114 0.000 0.763 500 P CB 0.576 32.236 31.700 -0.068 0.000 0.807 501 R N 1.927 122.368 120.500 -0.099 0.000 2.531 501 R HA 0.489 4.827 4.340 -0.002 0.000 0.273 501 R C 0.861 177.169 176.300 0.013 0.000 1.070 501 R CA -0.175 55.909 56.100 -0.027 0.000 1.112 501 R CB -0.362 29.933 30.300 -0.008 0.000 1.049 501 R HN 0.555 nan 8.270 nan 0.000 0.508 502 T N -2.083 112.490 114.554 0.032 0.000 2.907 502 T HA 0.292 4.641 4.350 -0.002 0.000 0.290 502 T C -0.040 174.692 174.700 0.053 0.000 1.066 502 T CA -1.043 61.077 62.100 0.034 0.000 1.012 502 T CB 1.591 70.469 68.868 0.016 0.000 1.184 502 T HN 0.165 nan 8.240 nan 0.000 0.522 503 Q N 0.232 120.060 119.800 0.047 0.000 2.330 503 Q HA 0.401 4.740 4.340 -0.002 0.000 0.279 503 Q C 1.379 177.405 176.000 0.043 0.000 1.024 503 Q CA 1.916 57.750 55.803 0.052 0.000 0.900 503 Q CB 0.664 29.423 28.738 0.036 0.000 1.221 503 Q HN 1.320 nan 8.270 nan 0.000 0.396 504 G N 3.298 112.133 108.800 0.058 0.000 2.278 504 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.210 504 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.210 504 G C -0.024 174.916 174.900 0.068 0.000 1.000 504 G CA -0.154 44.971 45.100 0.042 0.000 0.635 504 G HN 0.578 nan 8.290 nan 0.000 0.495 505 D N -0.128 120.324 120.400 0.086 0.000 2.382 505 D HA 0.521 5.160 4.640 -0.002 0.000 0.245 505 D C -0.645 175.776 176.300 0.203 0.000 1.120 505 D CA 0.451 54.507 54.000 0.093 0.000 0.890 505 D CB 0.907 41.756 40.800 0.081 0.000 1.201 505 D HN 0.129 nan 8.370 nan 0.000 0.433 506 F N 3.019 122.923 119.950 -0.077 0.000 2.766 506 F HA 0.145 4.671 4.527 -0.002 0.000 0.355 506 F C 0.678 176.284 175.800 -0.324 0.000 1.434 506 F CA -0.748 57.166 58.000 -0.144 0.000 1.139 506 F CB 0.370 39.298 39.000 -0.120 0.000 1.816 506 F HN 0.121 nan 8.300 nan 0.000 0.600 507 D N 2.022 122.121 120.400 -0.501 0.000 2.228 507 D HA -0.142 4.497 4.640 -0.002 0.000 0.203 507 D C -0.806 174.773 176.300 -1.201 0.000 0.988 507 D CA 1.358 54.978 54.000 -0.633 0.000 0.864 507 D CB -0.789 39.873 40.800 -0.230 0.000 0.928 507 D HN 0.379 nan 8.370 nan 0.000 0.469 508 P HA -0.076 nan 4.420 nan 0.000 0.216 508 P C 1.539 177.994 177.300 -1.408 0.000 1.150 508 P CA 1.401 63.100 63.100 -2.335 0.000 0.837 508 P CB -0.195 29.765 31.700 -2.901 0.000 0.786 509 G N -0.373 107.623 108.800 -1.341 0.000 2.625 509 G HA2 -0.097 3.861 3.960 -0.002 0.000 0.214 509 G HA3 -0.097 3.861 3.960 -0.002 0.000 0.214 509 G C 1.323 176.102 174.900 -0.202 0.000 1.132 509 G CA 0.598 45.395 45.100 -0.504 0.000 0.782 509 G HN 0.317 nan 8.290 nan 0.000 0.538 510 A N -0.701 121.965 122.820 -0.256 0.000 2.251 510 A HA 0.398 4.716 4.320 -0.002 0.000 0.209 510 A C 1.134 179.169 177.584 0.751 0.000 1.187 510 A CA 0.381 52.457 52.037 0.064 0.000 0.823 510 A CB 0.040 18.942 19.000 -0.164 0.000 0.846 510 A HN 0.197 nan 8.150 nan 0.000 0.486 511 K N -0.685 119.899 120.400 0.307 0.000 2.235 511 K HA 0.446 4.765 4.320 -0.002 0.000 0.266 511 K C 0.219 176.756 176.600 -0.106 0.000 0.980 511 K CA -1.138 55.237 56.287 0.146 0.000 0.849 511 K CB 0.251 32.664 32.500 -0.145 0.000 1.098 511 K HN 0.044 nan 8.250 nan 0.000 0.445 512 F N 4.001 123.719 119.950 -0.387 0.000 2.037 512 F HA -0.332 4.194 4.527 -0.002 0.000 0.296 512 F C 1.192 176.703 175.800 -0.482 0.000 1.132 512 F CA 2.394 59.917 58.000 -0.795 0.000 1.211 512 F CB -0.460 38.234 39.000 -0.510 0.000 0.951 512 F HN 0.899 nan 8.300 nan 0.000 0.503 513 H N -0.153 118.834 119.070 -0.140 0.000 2.520 513 H HA -0.194 4.360 4.556 -0.002 0.000 0.295 513 H C 2.141 177.372 175.328 -0.162 0.000 1.096 513 H CA 1.483 57.462 56.048 -0.114 0.000 1.249 513 H CB -0.439 29.493 29.762 0.283 0.000 1.365 513 H HN 0.263 nan 8.280 nan 0.000 0.556 514 I N 0.644 121.126 120.570 -0.147 0.000 2.185 514 I HA -0.091 4.078 4.170 -0.002 0.000 0.235 514 I C -0.410 175.655 176.117 -0.086 0.000 1.069 514 I CA 0.671 61.927 61.300 -0.073 0.000 1.354 514 I CB -2.045 35.791 38.000 -0.274 0.000 1.093 514 I HN 0.192 nan 8.210 nan 0.000 0.411 515 P HA -0.064 nan 4.420 nan 0.000 0.220 515 P C 1.514 178.611 177.300 -0.339 0.000 1.148 515 P CA 1.254 64.231 63.100 -0.206 0.000 0.803 515 P CB 0.016 31.621 31.700 -0.159 0.000 0.782 516 S N -0.424 114.968 115.700 -0.514 0.000 2.607 516 S HA 0.009 4.478 4.470 -0.002 0.000 0.224 516 S C 0.936 175.355 174.600 -0.302 0.000 0.969 516 S CA 0.610 58.474 58.200 -0.559 0.000 0.927 516 S CB -1.030 61.433 63.200 -1.228 0.000 0.772 516 S HN 0.252 nan 8.310 nan 0.000 0.533 517 S N 0.917 116.528 115.700 -0.149 0.000 3.559 517 S HA -0.155 4.314 4.470 -0.002 0.000 0.369 517 S C -0.204 174.444 174.600 0.081 0.000 0.987 517 S CA 0.034 58.326 58.200 0.153 0.000 1.187 517 S CB -1.415 61.933 63.200 0.247 0.000 0.914 517 S HN 0.255 nan 8.310 nan 0.000 0.480 518 V N 3.220 123.134 119.914 0.001 0.000 2.384 518 V HA 0.420 4.539 4.120 -0.002 0.000 0.287 518 V C -1.810 174.267 176.094 -0.027 0.000 1.020 518 V CA -1.804 60.469 62.300 -0.045 0.000 0.850 518 V CB 1.581 33.460 31.823 0.094 0.000 0.987 518 V HN 0.305 nan 8.190 nan 0.000 0.436 519 P HA -0.016 nan 4.420 nan 0.000 0.265 519 P C -0.365 177.028 177.300 0.155 0.000 1.187 519 P CA 0.525 63.434 63.100 -0.318 0.000 0.766 519 P CB 0.478 31.869 31.700 -0.515 0.000 0.820 520 Y N 2.573 122.947 120.300 0.123 0.000 2.522 520 Y HA 0.106 4.655 4.550 -0.002 0.000 0.277 520 Y C 1.922 177.941 175.900 0.198 0.000 1.104 520 Y CA 0.343 58.558 58.100 0.192 0.000 1.260 520 Y CB -0.266 38.191 38.460 -0.005 0.000 1.151 520 Y HN 0.169 nan 8.280 nan 0.000 0.539 521 I N 1.798 122.479 120.570 0.185 0.000 2.623 521 I HA -0.302 3.866 4.170 -0.002 0.000 0.261 521 I C 2.419 178.661 176.117 0.208 0.000 1.204 521 I CA 1.400 62.779 61.300 0.131 0.000 1.444 521 I CB -0.393 37.666 38.000 0.098 0.000 1.094 521 I HN 0.257 nan 8.210 nan 0.000 0.451 522 R N -0.913 119.669 120.500 0.137 0.000 2.152 522 R HA -0.204 4.135 4.340 -0.002 0.000 0.232 522 R C 1.887 178.165 176.300 -0.036 0.000 1.117 522 R CA 1.776 57.924 56.100 0.081 0.000 0.981 522 R CB -1.165 29.053 30.300 -0.137 0.000 0.870 522 R HN 0.360 nan 8.270 nan 0.000 0.451 523 Y N -0.024 120.308 120.300 0.054 0.000 2.337 523 Y HA -0.060 4.489 4.550 -0.002 0.000 0.293 523 Y C 2.126 178.176 175.900 0.250 0.000 1.123 523 Y CA 0.798 58.971 58.100 0.122 0.000 1.201 523 Y CB -0.294 38.104 38.460 -0.104 0.000 1.011 523 Y HN 0.008 nan 8.280 nan 0.000 0.545 524 F N 0.244 120.288 119.950 0.157 0.000 2.051 524 F HA -0.211 4.314 4.527 -0.002 0.000 0.296 524 F C 2.152 178.057 175.800 0.175 0.000 1.122 524 F CA 1.357 59.422 58.000 0.108 0.000 1.201 524 F CB -0.803 38.228 39.000 0.053 0.000 0.978 524 F HN -0.201 nan 8.300 nan 0.000 0.472 525 V N -0.201 119.810 119.914 0.162 0.000 2.324 525 V HA -0.340 3.779 4.120 -0.002 0.000 0.250 525 V C 2.704 178.781 176.094 -0.028 0.000 1.060 525 V CA 2.064 64.377 62.300 0.022 0.000 1.042 525 V CB -1.330 30.578 31.823 0.142 0.000 0.650 525 V HN 0.569 nan 8.190 nan 0.000 0.450 526 S N -0.260 115.500 115.700 0.101 0.000 2.359 526 S HA -0.245 4.223 4.470 -0.002 0.000 0.222 526 S C 1.855 176.503 174.600 0.080 0.000 1.038 526 S CA 2.080 60.337 58.200 0.094 0.000 1.051 526 S CB -0.468 62.893 63.200 0.269 0.000 0.944 526 S HN 0.475 nan 8.310 nan 0.000 0.433 527 F N 1.487 121.430 119.950 -0.012 0.000 2.269 527 F HA 0.017 4.543 4.527 -0.002 0.000 0.301 527 F C 2.121 177.917 175.800 -0.008 0.000 1.082 527 F CA 0.417 58.439 58.000 0.037 0.000 1.360 527 F CB -0.391 38.707 39.000 0.163 0.000 1.041 527 F HN 0.265 nan 8.300 nan 0.000 0.512 528 I N 0.340 120.884 120.570 -0.043 0.000 2.206 528 I HA -0.201 3.968 4.170 -0.002 0.000 0.239 528 I C 2.537 178.571 176.117 -0.139 0.000 1.078 528 I CA 1.349 62.570 61.300 -0.131 0.000 1.367 528 I CB -1.292 36.552 38.000 -0.261 0.000 1.078 528 I HN 0.142 nan 8.210 nan 0.000 0.413 529 I N 0.193 120.581 120.570 -0.304 0.000 2.614 529 I HA -0.248 3.921 4.170 -0.002 0.000 0.258 529 I C 2.428 177.960 176.117 -0.974 0.000 1.189 529 I CA 0.957 61.891 61.300 -0.609 0.000 1.462 529 I CB -0.634 36.886 38.000 -0.801 0.000 1.092 529 I HN 0.349 nan 8.210 nan 0.000 0.442 530 Q N 1.099 120.499 119.800 -0.667 0.000 2.167 530 Q HA -0.166 4.173 4.340 -0.002 0.000 0.202 530 Q C 1.842 177.547 176.000 -0.491 0.000 0.970 530 Q CA 1.565 56.981 55.803 -0.644 0.000 0.855 530 Q CB -0.786 27.615 28.738 -0.562 0.000 0.911 530 Q HN 0.524 nan 8.270 nan 0.000 0.438 531 F N 1.627 121.370 119.950 -0.346 0.000 2.259 531 F HA -0.033 4.493 4.527 -0.002 0.000 0.298 531 F C 2.463 178.217 175.800 -0.076 0.000 1.088 531 F CA 1.194 59.069 58.000 -0.208 0.000 1.358 531 F CB -0.004 38.852 39.000 -0.240 0.000 1.040 531 F HN 0.080 nan 8.300 nan 0.000 0.505 532 Q N -0.886 118.922 119.800 0.014 0.000 2.167 532 Q HA -0.145 4.194 4.340 -0.002 0.000 0.202 532 Q C 1.953 178.087 176.000 0.224 0.000 0.970 532 Q CA 1.122 56.973 55.803 0.080 0.000 0.855 532 Q CB -0.194 28.558 28.738 0.023 0.000 0.911 532 Q HN 0.335 nan 8.270 nan 0.000 0.438 533 F N -0.736 119.198 119.950 -0.027 0.000 2.234 533 F HA -0.076 4.450 4.527 -0.002 0.000 0.296 533 F C 2.217 177.996 175.800 -0.036 0.000 1.089 533 F CA 1.096 59.068 58.000 -0.047 0.000 1.343 533 F CB -1.161 37.779 39.000 -0.099 0.000 1.040 533 F HN 0.197 nan 8.300 nan 0.000 0.498 534 H N 0.415 119.507 119.070 0.037 0.000 2.321 534 H HA -0.153 4.402 4.556 -0.002 0.000 0.300 534 H C 2.231 177.568 175.328 0.015 0.000 1.087 534 H CA 2.282 58.297 56.048 -0.055 0.000 1.319 534 H CB -0.231 29.399 29.762 -0.219 0.000 1.379 534 H HN 0.337 nan 8.280 nan 0.000 0.501 535 E N -0.400 119.806 120.200 0.011 0.000 2.110 535 E HA -0.151 4.197 4.350 -0.002 0.000 0.193 535 E C 2.188 178.788 176.600 -0.000 0.000 0.988 535 E CA 0.834 57.231 56.400 -0.005 0.000 0.804 535 E CB -0.181 29.581 29.700 0.103 0.000 0.745 535 E HN 0.574 nan 8.360 nan 0.000 0.458 536 A N 0.721 123.570 122.820 0.049 0.000 1.854 536 A HA -0.118 4.201 4.320 -0.002 0.000 0.214 536 A C 2.050 179.634 177.584 -0.000 0.000 1.192 536 A CA 0.883 52.947 52.037 0.045 0.000 0.611 536 A CB -0.561 18.489 19.000 0.083 0.000 0.832 536 A HN 0.256 nan 8.150 nan 0.000 0.442 537 L N -0.047 121.165 121.223 -0.018 0.000 2.042 537 L HA -0.228 4.111 4.340 -0.002 0.000 0.210 537 L C 2.720 179.552 176.870 -0.065 0.000 1.076 537 L CA 1.674 56.489 54.840 -0.042 0.000 0.749 537 L CB -1.194 40.842 42.059 -0.038 0.000 0.893 537 L HN 0.528 nan 8.230 nan 0.000 0.432 538 c N -1.428 117.091 118.600 -0.135 0.000 2.425 538 c HA -0.170 4.399 4.570 -0.002 0.000 0.277 538 c C 2.826 176.916 174.090 0.000 0.000 1.280 538 c CA 0.582 56.837 56.329 -0.123 0.000 1.744 538 c CB -0.810 41.529 42.510 -0.285 0.000 1.989 538 c HN 0.593 nan 8.230 nan 0.000 0.491 539 Q N 1.300 121.101 119.800 0.001 0.000 2.079 539 Q HA -0.138 4.201 4.340 -0.002 0.000 0.200 539 Q C 2.397 178.406 176.000 0.014 0.000 0.974 539 Q CA 2.144 57.962 55.803 0.024 0.000 0.840 539 Q CB -0.371 28.382 28.738 0.025 0.000 0.898 539 Q HN 0.627 nan 8.270 nan 0.000 0.430 540 A N 0.934 123.755 122.820 0.002 0.000 1.902 540 A HA -0.073 4.246 4.320 -0.002 0.000 0.217 540 A C 2.246 179.829 177.584 -0.003 0.000 1.181 540 A CA 1.903 53.938 52.037 -0.003 0.000 0.623 540 A CB -0.853 18.139 19.000 -0.013 0.000 0.818 540 A HN 0.490 nan 8.150 nan 0.000 0.443 541 A N -1.852 120.967 122.820 -0.001 0.000 2.216 541 A HA 0.346 4.665 4.320 -0.002 0.000 0.214 541 A C 1.910 179.506 177.584 0.020 0.000 1.160 541 A CA 1.428 53.468 52.037 0.005 0.000 0.725 541 A CB -1.070 17.934 19.000 0.008 0.000 0.784 541 A HN 1.999 nan 8.150 nan 0.000 0.472 542 G N -1.654 107.161 108.800 0.024 0.000 2.141 542 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.242 542 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.242 542 G C 0.114 175.023 174.900 0.015 0.000 0.982 542 G CA 0.471 45.579 45.100 0.012 0.000 0.662 542 G HN 1.112 nan 8.290 nan 0.000 0.527 543 H N 1.421 120.471 119.070 -0.034 0.000 2.848 543 H HA 0.543 5.098 4.556 -0.002 0.000 0.341 543 H C 0.836 176.143 175.328 -0.034 0.000 1.060 543 H CA 1.330 57.355 56.048 -0.037 0.000 1.444 543 H CB 0.711 30.441 29.762 -0.053 0.000 1.446 543 H HN 0.470 nan 8.280 nan 0.000 0.583 544 T N 1.957 116.080 114.554 -0.718 0.000 2.906 544 T HA 0.692 5.041 4.350 -0.002 0.000 0.295 544 T C 0.319 174.649 174.700 -0.617 0.000 1.075 544 T CA -0.167 61.670 62.100 -0.438 0.000 1.005 544 T CB 1.670 70.401 68.868 -0.229 0.000 1.136 544 T HN 1.256 nan 8.240 nan 0.000 0.498 545 G N 1.555 110.204 108.800 -0.250 0.000 2.526 545 G HA2 0.101 4.060 3.960 -0.002 0.000 0.250 545 G HA3 0.101 4.060 3.960 -0.002 0.000 0.250 545 G C -2.977 171.938 174.900 0.024 0.000 1.289 545 G CA -0.863 44.159 45.100 -0.130 0.000 0.947 545 G HN 0.880 nan 8.290 nan 0.000 0.517 546 P HA 0.317 nan 4.420 nan 0.000 0.267 546 P C 1.246 178.579 177.300 0.054 0.000 1.205 546 P CA -0.468 62.652 63.100 0.033 0.000 0.765 546 P CB 0.818 32.485 31.700 -0.054 0.000 0.828 547 L N 4.681 125.955 121.223 0.087 0.000 2.043 547 L HA -0.228 4.110 4.340 -0.002 0.000 0.212 547 L C 2.188 179.034 176.870 -0.040 0.000 1.075 547 L CA 1.910 56.790 54.840 0.066 0.000 0.752 547 L CB -1.253 40.917 42.059 0.184 0.000 0.891 547 L HN 0.569 nan 8.230 nan 0.000 0.432 548 H N -0.977 117.940 119.070 -0.254 0.000 2.560 548 H HA -0.103 4.452 4.556 -0.002 0.000 0.283 548 H C 1.279 176.580 175.328 -0.044 0.000 1.028 548 H CA 1.143 56.885 56.048 -0.510 0.000 1.221 548 H CB -0.297 28.955 29.762 -0.849 0.000 1.363 548 H HN 0.453 nan 8.280 nan 0.000 0.594 549 K N 0.506 120.629 120.400 -0.462 0.000 2.374 549 K HA 0.104 4.423 4.320 -0.002 0.000 0.196 549 K C 0.302 176.800 176.600 -0.170 0.000 1.023 549 K CA -0.140 55.993 56.287 -0.258 0.000 1.103 549 K CB 0.367 32.735 32.500 -0.220 0.000 0.848 549 K HN 0.184 nan 8.250 nan 0.000 0.528 550 c N 2.073 120.456 118.600 -0.362 0.000 2.593 550 c HA 0.211 4.780 4.570 -0.002 0.000 0.409 550 c C -0.378 173.666 174.090 -0.077 0.000 1.304 550 c CA -0.256 55.737 56.329 -0.560 0.000 2.007 550 c CB -0.036 41.979 42.510 -0.826 0.000 2.614 550 c HN 0.349 nan 8.230 nan 0.000 0.585 551 D N 4.203 124.588 120.400 -0.026 0.000 2.476 551 D HA 0.225 4.864 4.640 -0.002 0.000 0.251 551 D C 0.521 176.897 176.300 0.127 0.000 1.291 551 D CA -0.571 53.495 54.000 0.109 0.000 0.939 551 D CB 0.719 41.598 40.800 0.132 0.000 1.221 551 D HN 0.641 nan 8.370 nan 0.000 0.567 552 I N 1.129 121.797 120.570 0.164 0.000 3.686 552 I HA 0.224 4.393 4.170 -0.002 0.000 0.308 552 I C 0.194 176.353 176.117 0.071 0.000 1.254 552 I CA -0.501 60.865 61.300 0.111 0.000 1.175 552 I CB -0.613 37.447 38.000 0.100 0.000 1.009 552 I HN 0.199 nan 8.210 nan 0.000 0.459 553 Y N 3.228 123.481 120.300 -0.078 0.000 2.810 553 Y HA -0.120 4.428 4.550 -0.002 0.000 0.332 553 Y C 1.422 177.157 175.900 -0.276 0.000 1.243 553 Y CA 0.992 58.819 58.100 -0.455 0.000 1.537 553 Y CB 0.183 38.434 38.460 -0.348 0.000 1.265 553 Y HN 0.525 nan 8.280 nan 0.000 0.572 554 Q N 2.190 121.362 119.800 -1.047 0.000 2.362 554 Q HA -0.289 4.049 4.340 -0.002 0.000 0.220 554 Q C -0.204 175.608 176.000 -0.312 0.000 0.713 554 Q CA 0.924 56.314 55.803 -0.689 0.000 1.345 554 Q CB -1.288 27.107 28.738 -0.572 0.000 1.570 554 Q HN 0.649 nan 8.270 nan 0.000 0.701 555 S N 0.358 115.926 115.700 -0.221 0.000 2.429 555 S HA 0.116 4.585 4.470 -0.002 0.000 0.292 555 S C 1.053 175.592 174.600 -0.101 0.000 1.183 555 S CA -0.361 57.770 58.200 -0.115 0.000 1.088 555 S CB 0.607 63.769 63.200 -0.063 0.000 1.018 555 S HN 0.213 nan 8.310 nan 0.000 0.511 556 K N 4.419 124.766 120.400 -0.088 0.000 2.057 556 K HA -0.056 4.263 4.320 -0.002 0.000 0.206 556 K C 1.639 178.208 176.600 -0.051 0.000 1.050 556 K CA 1.487 57.732 56.287 -0.070 0.000 0.935 556 K CB -0.360 32.103 32.500 -0.061 0.000 0.715 556 K HN 0.682 nan 8.250 nan 0.000 0.439 557 E N 0.706 120.880 120.200 -0.044 0.000 2.268 557 E HA -0.091 4.258 4.350 -0.002 0.000 0.195 557 E C 1.804 178.382 176.600 -0.036 0.000 0.995 557 E CA 1.086 57.466 56.400 -0.034 0.000 0.836 557 E CB -0.132 29.552 29.700 -0.026 0.000 0.763 557 E HN 0.312 nan 8.360 nan 0.000 0.491 558 A N 0.551 123.347 122.820 -0.041 0.000 1.874 558 A HA 0.054 4.372 4.320 -0.002 0.000 0.214 558 A C 2.420 179.977 177.584 -0.045 0.000 1.189 558 A CA 1.297 53.310 52.037 -0.040 0.000 0.615 558 A CB -0.984 17.996 19.000 -0.032 0.000 0.830 558 A HN 0.347 nan 8.150 nan 0.000 0.443 559 G N -0.934 107.840 108.800 -0.043 0.000 2.443 559 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.219 559 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.219 559 G C 1.570 176.445 174.900 -0.042 0.000 1.131 559 G CA 1.251 46.330 45.100 -0.036 0.000 0.775 559 G HN 0.507 nan 8.290 nan 0.000 0.547 560 Q N 0.422 120.198 119.800 -0.041 0.000 2.119 560 Q HA 0.061 4.399 4.340 -0.002 0.000 0.201 560 Q C 2.540 178.513 176.000 -0.044 0.000 0.972 560 Q CA 1.262 57.042 55.803 -0.038 0.000 0.847 560 Q CB -0.274 28.446 28.738 -0.031 0.000 0.903 560 Q HN 0.461 nan 8.270 nan 0.000 0.433 561 R N -0.863 119.605 120.500 -0.052 0.000 2.073 561 R HA 0.017 4.356 4.340 -0.002 0.000 0.229 561 R C 2.303 178.545 176.300 -0.098 0.000 1.120 561 R CA 1.147 57.208 56.100 -0.065 0.000 0.967 561 R CB -0.214 30.046 30.300 -0.066 0.000 0.862 561 R HN 0.292 nan 8.270 nan 0.000 0.436 562 L N -0.121 121.034 121.223 -0.114 0.000 2.017 562 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 562 L C 2.651 179.435 176.870 -0.144 0.000 1.073 562 L CA 1.373 56.120 54.840 -0.155 0.000 0.745 562 L CB -0.590 41.393 42.059 -0.126 0.000 0.894 562 L HN 0.261 nan 8.230 nan 0.000 0.432 563 A N -0.390 122.370 122.820 -0.101 0.000 1.883 563 A HA -0.235 4.084 4.320 -0.002 0.000 0.217 563 A C 2.338 179.884 177.584 -0.064 0.000 1.186 563 A CA 2.500 54.483 52.037 -0.090 0.000 0.624 563 A CB -1.047 17.918 19.000 -0.058 0.000 0.822 563 A HN 0.419 nan 8.150 nan 0.000 0.444 564 T N 0.210 114.737 114.554 -0.046 0.000 2.759 564 T HA -0.047 4.302 4.350 -0.002 0.000 0.269 564 T C 2.144 176.839 174.700 -0.008 0.000 1.042 564 T CA 1.689 63.776 62.100 -0.020 0.000 1.140 564 T CB -0.394 68.463 68.868 -0.017 0.000 0.864 564 T HN 0.617 nan 8.240 nan 0.000 0.455 565 A N 1.139 123.942 122.820 -0.028 0.000 1.897 565 A HA 0.113 4.431 4.320 -0.002 0.000 0.215 565 A C 2.311 179.914 177.584 0.031 0.000 1.181 565 A CA 1.030 53.072 52.037 0.008 0.000 0.620 565 A CB -0.546 18.450 19.000 -0.005 0.000 0.821 565 A HN 0.429 nan 8.150 nan 0.000 0.443 566 M N -0.630 118.912 119.600 -0.098 0.000 2.296 566 M HA -0.123 4.356 4.480 -0.002 0.000 0.265 566 M C 1.954 178.346 176.300 0.153 0.000 1.064 566 M CA 1.287 56.473 55.300 -0.191 0.000 1.109 566 M CB -0.320 31.917 32.600 -0.604 0.000 1.396 566 M HN 0.329 nan 8.290 nan 0.000 0.430 567 K N 0.701 121.153 120.400 0.086 0.000 2.147 567 K HA -0.076 4.243 4.320 -0.002 0.000 0.205 567 K C 1.752 178.467 176.600 0.192 0.000 1.049 567 K CA 1.028 57.400 56.287 0.142 0.000 0.936 567 K CB -0.241 32.300 32.500 0.069 0.000 0.722 567 K HN 0.358 nan 8.250 nan 0.000 0.446 568 L N 0.368 121.684 121.223 0.156 0.000 2.353 568 L HA -0.130 4.209 4.340 -0.002 0.000 0.220 568 L C 1.552 178.515 176.870 0.155 0.000 1.133 568 L CA 0.692 55.604 54.840 0.121 0.000 0.798 568 L CB -1.290 40.812 42.059 0.073 0.000 0.922 568 L HN 0.422 nan 8.230 nan 0.000 0.445 569 G N 0.701 109.682 108.800 0.302 0.000 2.634 569 G HA2 -0.429 3.530 3.960 -0.002 0.000 0.309 569 G HA3 -0.429 3.530 3.960 -0.002 0.000 0.309 569 G C 0.221 175.214 174.900 0.156 0.000 1.265 569 G CA 0.699 45.936 45.100 0.228 0.000 0.998 569 G HN 0.251 nan 8.290 nan 0.000 0.551 570 F N 2.289 122.177 119.950 -0.102 0.000 2.639 570 F HA 0.381 4.907 4.527 -0.002 0.000 0.302 570 F C 2.505 178.281 175.800 -0.040 0.000 1.097 570 F CA 0.822 58.775 58.000 -0.077 0.000 1.294 570 F CB -0.068 38.874 39.000 -0.097 0.000 1.027 570 F HN 0.559 nan 8.300 nan 0.000 0.550 571 S N 0.132 115.770 115.700 -0.102 0.000 2.419 571 S HA -0.057 4.412 4.470 -0.002 0.000 0.235 571 S C 1.015 175.483 174.600 -0.220 0.000 1.019 571 S CA 0.636 58.751 58.200 -0.142 0.000 0.982 571 S CB -0.166 63.003 63.200 -0.052 0.000 0.789 571 S HN 0.163 nan 8.310 nan 0.000 0.490 572 R N 0.839 121.201 120.500 -0.229 0.000 2.867 572 R HA 0.610 4.949 4.340 -0.002 0.000 0.268 572 R C -3.247 172.901 176.300 -0.253 0.000 1.014 572 R CA -2.540 53.432 56.100 -0.215 0.000 0.946 572 R CB -0.110 30.120 30.300 -0.117 0.000 1.208 572 R HN 0.086 nan 8.270 nan 0.000 0.477 573 P HA 0.005 nan 4.420 nan 0.000 0.269 573 P C 0.934 178.150 177.300 -0.140 0.000 1.209 573 P CA -0.136 62.850 63.100 -0.191 0.000 0.776 573 P CB 0.302 31.871 31.700 -0.219 0.000 0.876 574 W N 3.297 124.569 121.300 -0.047 0.000 2.392 574 W HA -0.023 4.636 4.660 -0.002 0.000 0.279 574 W C -1.749 174.788 176.519 0.030 0.000 1.225 574 W CA 0.805 58.081 57.345 -0.114 0.000 1.233 574 W CB -2.727 26.682 29.460 -0.085 0.000 1.122 574 W HN 0.320 nan 8.180 nan 0.000 0.561 575 P HA -0.153 nan 4.420 nan 0.000 0.219 575 P C 1.345 178.624 177.300 -0.036 0.000 1.146 575 P CA 2.328 65.157 63.100 -0.451 0.000 0.808 575 P CB -0.197 31.074 31.700 -0.716 0.000 0.779 576 E N -0.593 119.577 120.200 -0.049 0.000 2.072 576 E HA -0.097 4.252 4.350 -0.002 0.000 0.190 576 E C 2.079 178.731 176.600 0.087 0.000 0.982 576 E CA 1.025 57.429 56.400 0.006 0.000 0.803 576 E CB -0.442 29.238 29.700 -0.033 0.000 0.755 576 E HN 0.149 nan 8.360 nan 0.000 0.453 577 A N 1.241 124.135 122.820 0.124 0.000 1.873 577 A HA -0.204 4.115 4.320 -0.002 0.000 0.215 577 A C 2.147 179.958 177.584 0.379 0.000 1.186 577 A CA 1.550 53.703 52.037 0.193 0.000 0.616 577 A CB -0.471 18.570 19.000 0.067 0.000 0.823 577 A HN 0.217 nan 8.150 nan 0.000 0.442 578 M N -0.402 119.572 119.600 0.623 0.000 2.144 578 M HA -0.219 4.260 4.480 -0.002 0.000 0.260 578 M C 2.066 178.575 176.300 0.348 0.000 1.067 578 M CA 2.415 58.115 55.300 0.666 0.000 1.095 578 M CB -0.494 32.630 32.600 0.873 0.000 1.365 578 M HN 0.514 nan 8.290 nan 0.000 0.406 579 Q N -0.339 119.605 119.800 0.241 0.000 2.083 579 Q HA -0.041 4.298 4.340 -0.002 0.000 0.198 579 Q C 1.895 177.954 176.000 0.097 0.000 0.969 579 Q CA 1.678 57.566 55.803 0.141 0.000 0.838 579 Q CB -0.310 28.482 28.738 0.089 0.000 0.900 579 Q HN 0.659 nan 8.270 nan 0.000 0.436 580 L N -0.129 121.144 121.223 0.084 0.000 2.083 580 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 580 L C 2.144 179.024 176.870 0.015 0.000 1.083 580 L CA 1.000 55.864 54.840 0.041 0.000 0.752 580 L CB -0.355 41.722 42.059 0.031 0.000 0.899 580 L HN 0.328 nan 8.230 nan 0.000 0.433 581 I N -0.802 119.770 120.570 0.004 0.000 2.188 581 I HA -0.196 3.973 4.170 -0.002 0.000 0.237 581 I C 2.609 178.730 176.117 0.007 0.000 1.073 581 I CA 1.773 63.029 61.300 -0.073 0.000 1.359 581 I CB -0.617 37.203 38.000 -0.299 0.000 1.083 581 I HN 0.288 nan 8.210 nan 0.000 0.412 582 T N -1.625 112.984 114.554 0.091 0.000 3.088 582 T HA 0.197 4.546 4.350 -0.002 0.000 0.259 582 T C 1.593 176.355 174.700 0.104 0.000 1.122 582 T CA 0.619 62.798 62.100 0.131 0.000 1.095 582 T CB 0.279 69.275 68.868 0.214 0.000 0.930 582 T HN 0.633 nan 8.240 nan 0.000 0.508 583 G N 1.116 109.971 108.800 0.092 0.000 2.159 583 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.256 583 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.256 583 G C -0.141 174.811 174.900 0.086 0.000 0.977 583 G CA 0.590 45.734 45.100 0.074 0.000 0.652 583 G HN 1.042 nan 8.290 nan 0.000 0.531 584 Q N -2.024 117.846 119.800 0.117 0.000 2.943 584 Q HA 0.821 5.160 4.340 -0.002 0.000 0.328 584 Q C -2.774 173.328 176.000 0.170 0.000 0.934 584 Q CA -0.884 54.992 55.803 0.122 0.000 0.782 584 Q CB 1.334 30.142 28.738 0.116 0.000 1.470 584 Q HN 0.085 nan 8.270 nan 0.000 0.503 585 P HA 0.202 nan 4.420 nan 0.000 0.295 585 P C -0.676 176.780 177.300 0.261 0.000 1.274 585 P CA 0.212 63.404 63.100 0.152 0.000 0.943 585 P CB 1.300 33.032 31.700 0.053 0.000 1.462 586 Q N -0.062 119.930 119.800 0.319 0.000 2.297 586 Q HA 0.535 4.874 4.340 -0.002 0.000 0.268 586 Q C 0.037 176.293 176.000 0.428 0.000 1.045 586 Q CA -0.907 55.145 55.803 0.415 0.000 0.861 586 Q CB 1.812 30.709 28.738 0.265 0.000 1.344 586 Q HN -0.039 nan 8.270 nan 0.000 0.452 587 M N 1.100 120.948 119.600 0.415 0.000 2.239 587 M HA 0.231 4.710 4.480 -0.002 0.000 0.348 587 M C -0.083 176.310 176.300 0.155 0.000 1.239 587 M CA 0.445 55.861 55.300 0.193 0.000 1.114 587 M CB 0.561 33.221 32.600 0.100 0.000 1.641 587 M HN 0.437 nan 8.290 nan 0.000 0.453 588 S N 0.833 116.590 115.700 0.095 0.000 2.541 588 S HA 0.712 5.181 4.470 -0.002 0.000 0.271 588 S C -0.224 174.396 174.600 0.034 0.000 1.133 588 S CA -0.364 57.883 58.200 0.078 0.000 0.876 588 S CB 1.849 65.106 63.200 0.095 0.000 1.105 588 S HN 0.728 nan 8.310 nan 0.000 0.470 589 A N 2.341 125.175 122.820 0.023 0.000 2.379 589 A HA 0.356 4.675 4.320 -0.002 0.000 0.236 589 A C 1.527 179.111 177.584 0.001 0.000 1.272 589 A CA 0.353 52.382 52.037 -0.014 0.000 0.886 589 A CB -0.493 18.492 19.000 -0.026 0.000 0.962 589 A HN 0.676 nan 8.150 nan 0.000 0.504 590 S N 0.256 115.976 115.700 0.033 0.000 2.387 590 S HA -0.022 4.447 4.470 -0.002 0.000 0.226 590 S C 2.327 176.963 174.600 0.061 0.000 1.026 590 S CA 1.106 59.335 58.200 0.048 0.000 0.972 590 S CB -0.198 63.039 63.200 0.062 0.000 0.814 590 S HN 0.781 nan 8.310 nan 0.000 0.477 591 A N 1.769 124.633 122.820 0.073 0.000 1.877 591 A HA -0.068 4.251 4.320 -0.002 0.000 0.216 591 A C 2.134 179.773 177.584 0.092 0.000 1.186 591 A CA 1.718 53.827 52.037 0.119 0.000 0.620 591 A CB -0.664 18.427 19.000 0.152 0.000 0.822 591 A HN 0.516 nan 8.150 nan 0.000 0.443 592 M N -0.644 118.923 119.600 -0.055 0.000 2.229 592 M HA -0.050 4.429 4.480 -0.002 0.000 0.264 592 M C 1.708 177.925 176.300 -0.139 0.000 1.063 592 M CA 1.414 56.462 55.300 -0.420 0.000 1.114 592 M CB -0.225 32.030 32.600 -0.574 0.000 1.387 592 M HN 0.408 nan 8.290 nan 0.000 0.420 593 L N -0.959 120.256 121.223 -0.012 0.000 2.109 593 L HA -0.134 4.205 4.340 -0.002 0.000 0.207 593 L C 2.675 179.612 176.870 0.112 0.000 1.086 593 L CA 1.252 56.130 54.840 0.063 0.000 0.760 593 L CB -0.652 41.432 42.059 0.041 0.000 0.910 593 L HN 0.401 nan 8.230 nan 0.000 0.437 594 S N -0.777 114.987 115.700 0.107 0.000 2.387 594 S HA -0.231 4.237 4.470 -0.002 0.000 0.226 594 S C 2.058 176.757 174.600 0.164 0.000 1.026 594 S CA 0.790 59.068 58.200 0.129 0.000 0.972 594 S CB -0.308 62.967 63.200 0.124 0.000 0.814 594 S HN 0.451 nan 8.310 nan 0.000 0.477 595 Y N 0.964 121.266 120.300 0.002 0.000 2.070 595 Y HA -0.115 4.434 4.550 -0.002 0.000 0.280 595 Y C 1.681 177.502 175.900 -0.131 0.000 1.148 595 Y CA 2.239 60.302 58.100 -0.061 0.000 1.125 595 Y CB -0.569 37.773 38.460 -0.196 0.000 0.975 595 Y HN 0.372 nan 8.280 nan 0.000 0.492 596 F N 0.252 120.344 119.950 0.237 0.000 2.661 596 F HA -0.019 4.507 4.527 -0.002 0.000 0.298 596 F C 2.180 177.992 175.800 0.019 0.000 1.137 596 F CA 0.598 58.646 58.000 0.080 0.000 1.454 596 F CB -0.217 38.810 39.000 0.044 0.000 1.103 596 F HN 0.006 nan 8.300 nan 0.000 0.577 597 K N 1.801 122.316 120.400 0.193 0.000 2.090 597 K HA -0.241 4.078 4.320 -0.002 0.000 0.218 597 K C -1.054 175.614 176.600 0.113 0.000 1.055 597 K CA 2.273 58.640 56.287 0.132 0.000 0.941 597 K CB -1.676 30.888 32.500 0.108 0.000 0.722 597 K HN 0.069 nan 8.250 nan 0.000 0.458 598 P HA -0.157 nan 4.420 nan 0.000 0.215 598 P C 1.403 178.775 177.300 0.120 0.000 1.157 598 P CA 1.253 64.398 63.100 0.074 0.000 0.874 598 P CB -0.087 31.607 31.700 -0.010 0.000 0.790 599 L N -0.891 120.398 121.223 0.110 0.000 2.042 599 L HA -0.148 4.191 4.340 -0.002 0.000 0.210 599 L C 2.148 179.125 176.870 0.178 0.000 1.076 599 L CA 1.663 56.597 54.840 0.156 0.000 0.749 599 L CB -1.518 40.630 42.059 0.148 0.000 0.893 599 L HN -0.124 nan 8.230 nan 0.000 0.432 600 L N -0.521 120.782 121.223 0.134 0.000 2.042 600 L HA -0.224 4.115 4.340 -0.002 0.000 0.210 600 L C 2.047 178.969 176.870 0.086 0.000 1.076 600 L CA 1.956 56.850 54.840 0.090 0.000 0.749 600 L CB -0.997 41.108 42.059 0.076 0.000 0.893 600 L HN 0.344 nan 8.230 nan 0.000 0.432 601 D N -1.373 119.092 120.400 0.109 0.000 2.097 601 D HA -0.247 4.392 4.640 -0.002 0.000 0.197 601 D C 1.789 178.142 176.300 0.089 0.000 0.984 601 D CA 1.530 55.583 54.000 0.088 0.000 0.826 601 D CB -0.561 40.299 40.800 0.100 0.000 0.973 601 D HN 0.560 nan 8.370 nan 0.000 0.460 602 W N 1.863 123.163 121.300 -0.000 0.000 2.335 602 W HA -0.147 4.512 4.660 -0.002 0.000 0.311 602 W C 2.193 178.682 176.519 -0.052 0.000 1.213 602 W CA 1.242 58.582 57.345 -0.008 0.000 1.274 602 W CB -0.525 28.936 29.460 0.002 0.000 1.148 602 W HN -0.097 nan 8.180 nan 0.000 0.498 603 L N 0.093 121.333 121.223 0.029 0.000 2.079 603 L HA -0.237 4.102 4.340 -0.002 0.000 0.210 603 L C 2.701 179.471 176.870 -0.168 0.000 1.081 603 L CA 1.663 56.426 54.840 -0.128 0.000 0.752 603 L CB -0.788 41.277 42.059 0.011 0.000 0.896 603 L HN -0.032 nan 8.230 nan 0.000 0.433 604 R N -0.897 119.542 120.500 -0.102 0.000 2.066 604 R HA -0.121 4.218 4.340 -0.002 0.000 0.232 604 R C 2.320 178.535 176.300 -0.142 0.000 1.131 604 R CA 1.912 57.960 56.100 -0.086 0.000 0.955 604 R CB -0.582 29.692 30.300 -0.043 0.000 0.851 604 R HN 0.300 nan 8.270 nan 0.000 0.432 605 T N 0.728 115.166 114.554 -0.193 0.000 2.652 605 T HA -0.211 4.138 4.350 -0.002 0.000 0.267 605 T C 1.631 176.139 174.700 -0.320 0.000 1.039 605 T CA 1.784 63.747 62.100 -0.229 0.000 1.153 605 T CB -0.268 68.455 68.868 -0.242 0.000 0.863 605 T HN 0.265 nan 8.240 nan 0.000 0.428 606 E N 1.748 121.637 120.200 -0.518 0.000 2.033 606 E HA -0.176 4.173 4.350 -0.002 0.000 0.199 606 E C 2.111 178.589 176.600 -0.203 0.000 1.011 606 E CA 1.607 57.693 56.400 -0.523 0.000 0.815 606 E CB -0.481 28.640 29.700 -0.964 0.000 0.755 606 E HN 0.307 nan 8.360 nan 0.000 0.451 607 N N 0.527 119.162 118.700 -0.109 0.000 2.084 607 N HA -0.186 4.553 4.740 -0.002 0.000 0.190 607 N C 1.754 177.249 175.510 -0.024 0.000 1.030 607 N CA 1.409 54.470 53.050 0.017 0.000 0.849 607 N CB -0.504 38.000 38.487 0.029 0.000 1.012 607 N HN 0.441 nan 8.380 nan 0.000 0.423 608 E N 0.834 120.986 120.200 -0.080 0.000 2.097 608 E HA -0.196 4.153 4.350 -0.002 0.000 0.196 608 E C 1.771 178.308 176.600 -0.105 0.000 1.000 608 E CA 1.168 57.521 56.400 -0.078 0.000 0.804 608 E CB -0.047 29.602 29.700 -0.087 0.000 0.740 608 E HN 0.332 nan 8.360 nan 0.000 0.454 609 L N -1.862 119.246 121.223 -0.193 0.000 2.465 609 L HA 0.054 4.393 4.340 -0.002 0.000 0.224 609 L C 1.215 177.914 176.870 -0.286 0.000 1.145 609 L CA 1.556 56.242 54.840 -0.256 0.000 0.834 609 L CB -0.378 41.472 42.059 -0.349 0.000 0.944 609 L HN 0.064 nan 8.230 nan 0.000 0.451 610 H N 0.147 119.178 119.070 -0.065 0.000 2.594 610 H HA 0.454 5.009 4.556 -0.002 0.000 0.279 610 H C 1.272 176.569 175.328 -0.053 0.000 1.042 610 H CA 0.072 56.085 56.048 -0.059 0.000 1.177 610 H CB 0.385 30.109 29.762 -0.063 0.000 1.524 610 H HN 0.457 nan 8.280 nan 0.000 0.537 611 G N 1.714 110.533 108.800 0.032 0.000 2.323 611 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.292 611 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.292 611 G C -0.226 174.685 174.900 0.019 0.000 1.040 611 G CA -0.023 45.084 45.100 0.012 0.000 0.942 611 G HN 0.340 nan 8.290 nan 0.000 0.506 612 E N -0.459 119.760 120.200 0.033 0.000 2.373 612 E HA 0.293 4.642 4.350 -0.002 0.000 0.267 612 E C 0.546 177.163 176.600 0.029 0.000 1.032 612 E CA -0.173 56.246 56.400 0.032 0.000 0.889 612 E CB 1.123 30.855 29.700 0.053 0.000 0.984 612 E HN 0.347 nan 8.360 nan 0.000 0.425 613 K N 3.843 124.265 120.400 0.036 0.000 2.356 613 K HA 0.215 4.534 4.320 -0.002 0.000 0.243 613 K C -0.476 176.167 176.600 0.072 0.000 1.072 613 K CA -0.295 56.016 56.287 0.040 0.000 1.014 613 K CB -0.438 32.083 32.500 0.034 0.000 1.523 613 K HN 0.395 nan 8.250 nan 0.000 0.455 614 L N 3.057 124.319 121.223 0.064 0.000 2.573 614 L HA 0.123 4.462 4.340 -0.002 0.000 0.290 614 L C 1.069 177.987 176.870 0.079 0.000 1.247 614 L CA 1.349 56.241 54.840 0.086 0.000 0.876 614 L CB -0.322 41.762 42.059 0.041 0.000 1.123 614 L HN 0.960 nan 8.230 nan 0.000 0.505 615 G N 2.099 110.992 108.800 0.155 0.000 2.782 615 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.228 615 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.228 615 G C -0.880 174.208 174.900 0.314 0.000 1.372 615 G CA -0.017 45.115 45.100 0.054 0.000 0.862 615 G HN 0.970 nan 8.290 nan 0.000 0.547 616 W N -1.389 119.903 121.300 -0.013 0.000 3.810 616 W HA 0.853 5.511 4.660 -0.002 0.000 0.395 616 W C -2.070 174.459 176.519 0.018 0.000 1.216 616 W CA -0.889 56.469 57.345 0.023 0.000 0.895 616 W CB -0.560 28.925 29.460 0.042 0.000 2.031 616 W HN 0.681 nan 8.180 nan 0.000 0.639 617 P HA 0.000 nan 4.420 nan 0.000 0.216 617 P CA 0.000 63.148 63.100 0.080 0.000 0.800 617 P CB 0.000 31.769 31.700 0.115 0.000 0.726