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 1twf_1_B DATA FIRST_RESID 18 DATA SEQUENCE FEDESAPITA EDSWAVISAF FREKGLVSQQ LDSFNQFVDY TLQDIICEDS DATA SEQUENCE TLIXXXXXXX XXXXXXXXXX XEISFGKIYV TKPMVNESDG VTHALYPQEA DATA SEQUENCE RLRNLTYSSG LFVDVKKRTY EXXXXXXXXX XXXXXXXXXX XXXXXXKVFI DATA SEQUENCE GRLPIMLRSK NCYLSEATES DLYKLKECPF DMGGYFIING SEKVLIAQER DATA SEQUENCE SAGNIVQVFK KAAPSPISHV AEIRSALEKG SRFISTLQVK LYGREGSSAR DATA SEQUENCE TIKATLPYIK QDIPIVIIFR ALGIIPDGEI LEHICYDVND WQMLEMLKPC DATA SEQUENCE VEDGFVIQDR ETALDFIGRR GTALGIKKEK RIQYAKDILQ KEFLPHITQL DATA SEQUENCE EGFESRKAFF LGYMINRLLL CALDRKDQDD RDHFGKKRLD LAGPLLAQLF DATA SEQUENCE KTLFKKLTKD IFRYMQRTVE XXXXXXXXLA INAKTITSGL KYALATGNWG DATA SEQUENCE XXXXXXXXXA GVSQVLNRYT YSSTLSHLRR TNTPIXXXXX XAKPRQLHNT DATA SEQUENCE HWGLVCPAET PEGQACGLVK NLSLMSCISV GTDPMPIITF LSEWGMEPLE DATA SEQUENCE DYVPHQSPDA TRVFVNGVWH GVHRNPARLM ETLRTLRRKG DINPEVSMIR DATA SEQUENCE DIREKELKIF TDAGRVYRPL FIVEDDESLG HKELKVRKGH IAKLMATEYQ DATA SEQUENCE DXXXXXXXXX EYTWSSLLNE GLVEYIDAEE EESILIAMQP EDLEPXXXXX DATA SEQUENCE XXXXDVDPAK RIRVSHHATT FTHCEIHPSM ILGVAASIIP FPDHNQSPRN DATA SEQUENCE TYQSAMGKQA MGVFLTNYNV RMDTMANILY YPQKPLGTTR AMEYLKFREL DATA SEQUENCE PAGQNAIVAI ACYSGYNQED SMIMNQSSID RGLFRSLFFR SYMDQEKKYG DATA SEQUENCE MSITETFEKP QRTNTLRMKH GTYDKLDDDG LIAPGVRVSG EDVIIGKTTP DATA SEQUENCE ISXXXXXXXX XXXXXSKRDA STPLRSTENG IVDQVLVTTN QDGLKFVKVR DATA SEQUENCE VRTTKIPQIG DKFASRHGQK GTIGITYRRE DMPFTAEGIV PDLIINPHAI DATA SEQUENCE PSRMTVAHLI ECLLSKVAAL SGNEGDASPF TDITVEGISK LLREHGYQSR DATA SEQUENCE GFEVMYNGHT GKKLMAQIFF GPTYYQRLRH MVDDKIHARA RGPXXXXXXX DATA SEQUENCE XXXXXXXXXG LRFGEMERDC MIAHGAASFL KERLMEASDA FRVHICGICG DATA SEQUENCE LMTVIAKLNH NQFECKGCDN KIDIYQIHIP YAAKLLFQEL MAMNITPRLY DATA SEQUENCE TDRSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.786 175.800 -0.023 0.000 0.967 18 F CA 0.000 57.989 58.000 -0.019 0.000 1.383 18 F CB 0.000 38.988 39.000 -0.020 0.000 1.145 19 E N -0.322 120.004 120.200 0.209 0.000 2.313 19 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 19 E C -0.989 175.696 176.600 0.141 0.000 1.406 19 E CA 0.943 57.420 56.400 0.128 0.000 0.668 19 E CB -1.369 28.383 29.700 0.087 0.000 1.135 19 E HN 0.699 nan 8.360 nan 0.000 0.375 20 D N 1.748 122.216 120.400 0.112 0.000 2.554 20 D HA -0.076 4.564 4.640 -0.000 0.000 0.251 20 D C 1.245 177.566 176.300 0.035 0.000 1.213 20 D CA 0.833 54.888 54.000 0.091 0.000 0.900 20 D CB 0.604 41.423 40.800 0.032 0.000 1.135 20 D HN 0.433 nan 8.370 nan 0.000 0.522 21 E N 0.537 120.746 120.200 0.015 0.000 2.448 21 E HA -0.179 4.171 4.350 -0.000 0.000 0.203 21 E C 0.560 177.109 176.600 -0.085 0.000 1.046 21 E CA 0.580 56.942 56.400 -0.064 0.000 0.871 21 E CB -0.045 29.585 29.700 -0.117 0.000 0.790 21 E HN 0.143 nan 8.360 nan 0.000 0.545 22 S N 0.194 115.868 115.700 -0.043 0.000 2.575 22 S HA 0.347 4.817 4.470 -0.000 0.000 0.237 22 S C 0.273 174.859 174.600 -0.024 0.000 0.975 22 S CA -0.177 58.000 58.200 -0.038 0.000 0.960 22 S CB 0.697 63.879 63.200 -0.029 0.000 0.822 22 S HN 0.403 nan 8.310 nan 0.000 0.472 23 A N 2.883 125.693 122.820 -0.017 0.000 2.340 23 A HA 0.620 4.940 4.320 -0.000 0.000 0.268 23 A C -2.426 175.148 177.584 -0.017 0.000 1.100 23 A CA -1.501 50.529 52.037 -0.012 0.000 0.803 23 A CB -0.066 18.934 19.000 -0.000 0.000 1.043 23 A HN 0.128 nan 8.150 nan 0.000 0.488 24 P HA 0.129 nan 4.420 nan 0.000 0.272 24 P C -0.491 176.786 177.300 -0.038 0.000 1.243 24 P CA 0.244 63.319 63.100 -0.041 0.000 0.803 24 P CB 0.356 32.038 31.700 -0.030 0.000 0.974 25 I N -0.764 119.764 120.570 -0.071 0.000 2.750 25 I HA 0.390 4.560 4.170 -0.000 0.000 0.308 25 I C 0.676 176.764 176.117 -0.048 0.000 1.016 25 I CA -0.516 60.744 61.300 -0.068 0.000 1.098 25 I CB 1.982 39.893 38.000 -0.149 0.000 1.279 25 I HN 0.352 nan 8.210 nan 0.000 0.454 26 T N 0.499 115.050 114.554 -0.004 0.000 2.942 26 T HA 0.552 4.902 4.350 -0.000 0.000 0.289 26 T C 0.884 175.621 174.700 0.062 0.000 1.044 26 T CA -0.207 61.909 62.100 0.026 0.000 1.023 26 T CB 1.835 70.734 68.868 0.052 0.000 1.123 26 T HN 0.631 nan 8.240 nan 0.000 0.512 27 A N 0.737 123.610 122.820 0.089 0.000 1.903 27 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 27 A C 2.172 179.895 177.584 0.231 0.000 1.191 27 A CA 2.555 54.685 52.037 0.155 0.000 0.638 27 A CB -1.369 17.736 19.000 0.175 0.000 0.823 27 A HN 1.028 nan 8.150 nan 0.000 0.451 28 E N 0.597 120.936 120.200 0.231 0.000 2.153 28 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 28 E C 1.221 177.981 176.600 0.268 0.000 0.988 28 E CA 1.613 58.189 56.400 0.295 0.000 0.811 28 E CB -0.420 29.409 29.700 0.216 0.000 0.746 28 E HN 0.563 nan 8.360 nan 0.000 0.466 29 D N -0.368 120.139 120.400 0.178 0.000 2.351 29 D HA -0.063 4.577 4.640 -0.000 0.000 0.216 29 D C 1.543 177.943 176.300 0.165 0.000 0.968 29 D CA 0.701 54.795 54.000 0.157 0.000 0.899 29 D CB 0.036 40.895 40.800 0.098 0.000 0.907 29 D HN 0.160 nan 8.370 nan 0.000 0.514 30 S N -0.149 115.628 115.700 0.129 0.000 2.368 30 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 30 S C 1.626 176.144 174.600 -0.137 0.000 1.029 30 S CA 0.541 58.768 58.200 0.045 0.000 0.988 30 S CB -0.327 62.846 63.200 -0.045 0.000 0.838 30 S HN 0.438 nan 8.310 nan 0.000 0.462 31 W N 2.095 123.506 121.300 0.184 0.000 2.364 31 W HA -0.060 4.600 4.660 -0.000 0.000 0.281 31 W C 2.599 179.252 176.519 0.225 0.000 1.219 31 W CA 0.630 58.084 57.345 0.182 0.000 1.220 31 W CB -0.555 28.999 29.460 0.157 0.000 1.127 31 W HN 0.294 nan 8.180 nan 0.000 0.556 32 A N 0.073 123.079 122.820 0.311 0.000 1.877 32 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 32 A C 2.015 179.761 177.584 0.270 0.000 1.186 32 A CA 2.299 54.509 52.037 0.288 0.000 0.620 32 A CB -1.147 17.998 19.000 0.241 0.000 0.822 32 A HN 0.088 nan 8.150 nan 0.000 0.443 33 V N 0.090 120.146 119.914 0.237 0.000 2.407 33 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 33 V C 2.387 178.604 176.094 0.205 0.000 1.055 33 V CA 1.996 64.452 62.300 0.260 0.000 1.049 33 V CB -0.724 31.267 31.823 0.279 0.000 0.662 33 V HN 0.556 nan 8.190 nan 0.000 0.455 34 I N -0.197 120.390 120.570 0.029 0.000 2.286 34 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 34 I C 2.584 178.665 176.117 -0.061 0.000 1.104 34 I CA 1.351 62.536 61.300 -0.191 0.000 1.397 34 I CB -0.292 37.518 38.000 -0.318 0.000 1.072 34 I HN 0.238 nan 8.210 nan 0.000 0.417 35 S N 0.756 116.605 115.700 0.248 0.000 2.383 35 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 35 S C 2.229 177.012 174.600 0.305 0.000 1.030 35 S CA 1.384 59.859 58.200 0.458 0.000 1.002 35 S CB -0.339 63.181 63.200 0.533 0.000 0.829 35 S HN 0.549 nan 8.310 nan 0.000 0.467 36 A N 0.885 123.869 122.820 0.273 0.000 1.902 36 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 36 A C 1.876 179.580 177.584 0.199 0.000 1.181 36 A CA 1.460 53.664 52.037 0.279 0.000 0.623 36 A CB -0.858 18.357 19.000 0.357 0.000 0.818 36 A HN 0.515 nan 8.150 nan 0.000 0.443 37 F N -0.258 119.598 119.950 -0.156 0.000 2.046 37 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 37 F C 1.935 177.422 175.800 -0.522 0.000 1.123 37 F CA 1.905 59.429 58.000 -0.793 0.000 1.199 37 F CB -0.486 37.669 39.000 -1.409 0.000 0.972 37 F HN 0.225 nan 8.300 nan 0.000 0.474 38 F N 0.067 119.893 119.950 -0.208 0.000 2.451 38 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 38 F C 2.442 178.182 175.800 -0.100 0.000 1.101 38 F CA 0.471 58.348 58.000 -0.205 0.000 1.436 38 F CB -0.305 38.646 39.000 -0.082 0.000 1.074 38 F HN -0.115 nan 8.300 nan 0.000 0.553 39 R N 0.157 120.742 120.500 0.140 0.000 2.090 39 R HA -0.145 4.195 4.340 -0.000 0.000 0.228 39 R C 2.083 178.401 176.300 0.030 0.000 1.110 39 R CA 1.349 57.523 56.100 0.124 0.000 0.973 39 R CB -0.191 30.201 30.300 0.153 0.000 0.869 39 R HN 0.338 nan 8.270 nan 0.000 0.440 40 E N 0.583 120.751 120.200 -0.054 0.000 2.170 40 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 40 E C 1.143 177.644 176.600 -0.164 0.000 0.981 40 E CA 0.837 57.189 56.400 -0.078 0.000 0.830 40 E CB 0.396 30.078 29.700 -0.031 0.000 0.775 40 E HN 0.151 nan 8.360 nan 0.000 0.470 41 K N -0.416 119.783 120.400 -0.335 0.000 2.367 41 K HA 0.226 4.546 4.320 -0.000 0.000 0.195 41 K C 0.886 177.388 176.600 -0.162 0.000 1.060 41 K CA 0.336 56.424 56.287 -0.332 0.000 1.022 41 K CB 1.256 33.347 32.500 -0.682 0.000 0.894 41 K HN 0.222 nan 8.250 nan 0.000 0.540 42 G N 1.901 110.665 108.800 -0.059 0.000 2.562 42 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.250 42 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.250 42 G C 0.184 175.129 174.900 0.076 0.000 1.269 42 G CA -0.173 44.948 45.100 0.035 0.000 0.919 42 G HN 0.168 nan 8.290 nan 0.000 0.574 43 L N 0.342 121.581 121.223 0.028 0.000 2.858 43 L HA 0.360 4.700 4.340 -0.000 0.000 0.251 43 L C 1.208 178.081 176.870 0.005 0.000 1.149 43 L CA 0.688 55.542 54.840 0.023 0.000 0.955 43 L CB 0.961 42.996 42.059 -0.039 0.000 1.289 43 L HN 0.852 nan 8.230 nan 0.000 0.542 44 V N -4.734 115.172 119.914 -0.014 0.000 2.872 44 V HA 0.165 4.285 4.120 -0.000 0.000 0.367 44 V C 1.448 177.516 176.094 -0.042 0.000 1.343 44 V CA 0.273 62.556 62.300 -0.029 0.000 1.219 44 V CB 0.035 31.839 31.823 -0.032 0.000 1.308 44 V HN 0.236 nan 8.190 nan 0.000 0.610 45 S N 1.152 116.820 115.700 -0.054 0.000 2.419 45 S HA -0.294 4.176 4.470 -0.000 0.000 0.233 45 S C 1.812 176.382 174.600 -0.051 0.000 1.016 45 S CA 1.712 59.872 58.200 -0.066 0.000 0.974 45 S CB -0.420 62.711 63.200 -0.115 0.000 0.786 45 S HN 0.882 nan 8.310 nan 0.000 0.492 46 Q N 0.446 120.212 119.800 -0.057 0.000 2.096 46 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 46 Q C 2.189 178.175 176.000 -0.023 0.000 0.982 46 Q CA 1.362 57.135 55.803 -0.051 0.000 0.850 46 Q CB -0.464 28.239 28.738 -0.058 0.000 0.901 46 Q HN 0.454 nan 8.270 nan 0.000 0.422 47 Q N 0.948 120.731 119.800 -0.028 0.000 2.020 47 Q HA 0.016 4.356 4.340 -0.000 0.000 0.198 47 Q C 2.422 178.429 176.000 0.012 0.000 0.974 47 Q CA 1.138 56.926 55.803 -0.024 0.000 0.829 47 Q CB -0.284 28.410 28.738 -0.074 0.000 0.894 47 Q HN 0.444 nan 8.270 nan 0.000 0.433 48 L N 1.151 122.369 121.223 -0.009 0.000 1.970 48 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 48 L C 2.057 178.976 176.870 0.081 0.000 1.071 48 L CA 1.416 56.275 54.840 0.032 0.000 0.751 48 L CB -0.848 41.207 42.059 -0.007 0.000 0.889 48 L HN 0.161 nan 8.230 nan 0.000 0.432 49 D N -0.409 120.015 120.400 0.041 0.000 2.158 49 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 49 D C 2.348 178.685 176.300 0.060 0.000 0.995 49 D CA 1.674 55.700 54.000 0.043 0.000 0.846 49 D CB -0.060 40.752 40.800 0.019 0.000 0.941 49 D HN 0.200 nan 8.370 nan 0.000 0.456 50 S N -0.536 115.207 115.700 0.072 0.000 2.345 50 S HA -0.148 4.322 4.470 -0.000 0.000 0.220 50 S C 1.821 176.500 174.600 0.132 0.000 1.031 50 S CA 0.540 58.789 58.200 0.082 0.000 0.996 50 S CB -0.412 62.828 63.200 0.067 0.000 0.882 50 S HN 0.208 nan 8.310 nan 0.000 0.445 51 F N 2.958 122.940 119.950 0.052 0.000 2.134 51 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 51 F C 2.052 177.949 175.800 0.161 0.000 1.097 51 F CA 1.590 59.657 58.000 0.111 0.000 1.264 51 F CB -0.601 38.444 39.000 0.074 0.000 1.001 51 F HN 0.233 nan 8.300 nan 0.000 0.479 52 N N 0.447 119.203 118.700 0.094 0.000 2.166 52 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 52 N C 1.818 177.326 175.510 -0.003 0.000 1.019 52 N CA 1.336 54.397 53.050 0.017 0.000 0.856 52 N CB -0.573 37.960 38.487 0.076 0.000 0.993 52 N HN 0.386 nan 8.380 nan 0.000 0.426 53 Q N -0.068 119.753 119.800 0.035 0.000 2.167 53 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 53 Q C 1.773 177.813 176.000 0.067 0.000 0.970 53 Q CA 0.975 56.813 55.803 0.058 0.000 0.855 53 Q CB -0.459 28.284 28.738 0.008 0.000 0.911 53 Q HN 0.353 nan 8.270 nan 0.000 0.438 54 F N -0.654 119.189 119.950 -0.177 0.000 2.075 54 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 54 F C 1.810 177.421 175.800 -0.315 0.000 1.113 54 F CA 1.518 59.368 58.000 -0.249 0.000 1.218 54 F CB -0.528 38.270 39.000 -0.337 0.000 0.984 54 F HN -0.044 nan 8.300 nan 0.000 0.472 55 V N 0.567 120.238 119.914 -0.405 0.000 2.343 55 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 55 V C 2.085 177.978 176.094 -0.335 0.000 1.051 55 V CA 2.219 64.244 62.300 -0.457 0.000 1.036 55 V CB -0.714 30.896 31.823 -0.356 0.000 0.654 55 V HN 0.315 nan 8.190 nan 0.000 0.451 56 D N -1.578 118.708 120.400 -0.189 0.000 2.123 56 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 56 D C 1.811 177.914 176.300 -0.329 0.000 0.976 56 D CA 1.659 55.541 54.000 -0.196 0.000 0.831 56 D CB 0.031 40.825 40.800 -0.010 0.000 0.974 56 D HN 0.547 nan 8.370 nan 0.000 0.469 57 Y N 0.080 120.257 120.300 -0.207 0.000 2.808 57 Y HA 0.080 4.630 4.550 -0.000 0.000 0.244 57 Y C 2.538 178.297 175.900 -0.235 0.000 1.033 57 Y CA 0.366 58.358 58.100 -0.181 0.000 1.415 57 Y CB -0.792 37.600 38.460 -0.112 0.000 1.420 57 Y HN -0.227 nan 8.280 nan 0.000 0.484 58 T N 2.081 116.620 114.554 -0.026 0.000 2.653 58 T HA -0.292 4.058 4.350 -0.000 0.000 0.267 58 T C 1.865 176.344 174.700 -0.368 0.000 1.037 58 T CA 2.137 64.156 62.100 -0.136 0.000 1.159 58 T CB -0.776 68.074 68.868 -0.030 0.000 0.859 58 T HN 0.092 nan 8.240 nan 0.000 0.449 59 L N 1.064 121.868 121.223 -0.698 0.000 1.955 59 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 59 L C 2.654 179.220 176.870 -0.507 0.000 1.072 59 L CA 2.066 56.377 54.840 -0.881 0.000 0.755 59 L CB -1.013 40.464 42.059 -0.970 0.000 0.888 59 L HN 0.181 nan 8.230 nan 0.000 0.432 60 Q N -0.484 119.092 119.800 -0.373 0.000 2.248 60 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 60 Q C 1.609 177.499 176.000 -0.182 0.000 0.984 60 Q CA 2.145 57.799 55.803 -0.249 0.000 0.875 60 Q CB -0.383 28.218 28.738 -0.227 0.000 0.910 60 Q HN 0.621 nan 8.270 nan 0.000 0.433 61 D N -1.216 119.085 120.400 -0.166 0.000 2.317 61 D HA 0.037 4.676 4.640 -0.000 0.000 0.211 61 D C 1.068 177.314 176.300 -0.089 0.000 0.966 61 D CA 0.665 54.609 54.000 -0.092 0.000 0.876 61 D CB 0.196 40.969 40.800 -0.046 0.000 0.927 61 D HN 0.386 nan 8.370 nan 0.000 0.519 62 I N -0.370 120.111 120.570 -0.150 0.000 3.228 62 I HA -0.002 4.167 4.170 -0.000 0.000 0.279 62 I C 1.685 177.625 176.117 -0.294 0.000 1.221 62 I CA 0.185 61.415 61.300 -0.117 0.000 1.458 62 I CB 0.287 38.280 38.000 -0.011 0.000 1.105 62 I HN -0.023 nan 8.210 nan 0.000 0.445 63 I N 0.254 120.607 120.570 -0.361 0.000 2.617 63 I HA -0.191 3.979 4.170 -0.000 0.000 0.256 63 I C 2.246 178.310 176.117 -0.088 0.000 1.167 63 I CA 1.366 62.378 61.300 -0.481 0.000 1.469 63 I CB -0.008 37.823 38.000 -0.283 0.000 1.098 63 I HN 0.241 nan 8.210 nan 0.000 0.436 64 C N 0.912 120.194 119.300 -0.029 0.000 2.464 64 C HA -0.002 4.458 4.460 -0.000 0.000 0.278 64 C C 1.137 176.175 174.990 0.079 0.000 1.375 64 C CA -0.181 58.869 59.018 0.054 0.000 1.761 64 C CB -1.483 26.270 27.740 0.022 0.000 1.944 64 C HN 0.490 nan 8.230 nan 0.000 0.509 65 E N 1.613 121.847 120.200 0.056 0.000 2.316 65 E HA 0.118 4.468 4.350 -0.000 0.000 0.275 65 E C -0.568 176.114 176.600 0.137 0.000 1.029 65 E CA 0.004 56.451 56.400 0.078 0.000 0.871 65 E CB 0.143 29.881 29.700 0.064 0.000 1.022 65 E HN 0.332 nan 8.360 nan 0.000 0.418 66 D N 2.295 122.763 120.400 0.113 0.000 2.837 66 D HA -0.170 4.470 4.640 -0.000 0.000 0.230 66 D C 0.311 176.726 176.300 0.192 0.000 1.152 66 D CA 1.339 55.408 54.000 0.114 0.000 0.736 66 D CB -1.330 39.528 40.800 0.098 0.000 1.084 66 D HN 0.621 nan 8.370 nan 0.000 0.429 67 S N -1.579 114.263 115.700 0.237 0.000 2.710 67 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 67 S C 0.512 175.314 174.600 0.337 0.000 0.948 67 S CA -0.019 58.432 58.200 0.419 0.000 0.949 67 S CB 0.679 64.096 63.200 0.361 0.000 0.778 67 S HN 0.160 nan 8.310 nan 0.000 0.498 68 T N 2.004 116.673 114.554 0.191 0.000 2.921 68 T HA 0.575 4.925 4.350 -0.000 0.000 0.297 68 T C -0.905 173.843 174.700 0.080 0.000 1.013 68 T CA -0.584 61.575 62.100 0.098 0.000 0.990 68 T CB 1.552 70.436 68.868 0.028 0.000 1.023 68 T HN 0.213 nan 8.240 nan 0.000 0.447 69 L N 3.186 124.468 121.223 0.099 0.000 2.346 69 L HA 0.613 4.953 4.340 -0.000 0.000 0.274 69 L C 0.307 177.310 176.870 0.222 0.000 1.007 69 L CA -1.126 53.801 54.840 0.145 0.000 0.818 69 L CB 1.556 43.794 42.059 0.299 0.000 1.284 69 L HN 0.546 nan 8.230 nan 0.000 0.424 90 I N 2.495 123.032 120.570 -0.055 0.000 8.342 90 I HA -0.211 3.959 4.170 -0.000 0.000 0.126 90 I C -1.018 174.974 176.117 -0.208 0.000 1.849 90 I CA 0.917 62.125 61.300 -0.153 0.000 2.049 90 I CB -0.783 37.125 38.000 -0.153 0.000 3.803 90 I HN 0.312 nan 8.210 nan 0.000 0.173 91 S N 6.295 121.853 115.700 -0.237 0.000 2.532 91 S HA 0.841 5.311 4.470 -0.000 0.000 0.299 91 S C -0.656 173.841 174.600 -0.171 0.000 1.105 91 S CA -0.931 57.194 58.200 -0.126 0.000 1.018 91 S CB 1.707 64.879 63.200 -0.047 0.000 1.021 91 S HN 0.309 nan 8.310 nan 0.000 0.483 92 F N 1.874 121.885 119.950 0.102 0.000 2.384 92 F HA 0.705 5.232 4.527 -0.000 0.000 0.338 92 F C 1.311 177.165 175.800 0.091 0.000 1.103 92 F CA 0.089 58.166 58.000 0.129 0.000 1.157 92 F CB 1.195 40.333 39.000 0.229 0.000 1.167 92 F HN 0.927 nan 8.300 nan 0.000 0.529 93 G N 1.531 110.481 108.800 0.250 0.000 3.306 93 G HA2 0.210 4.170 3.960 -0.000 0.000 0.202 93 G HA3 0.210 4.170 3.960 -0.000 0.000 0.202 93 G C -0.576 174.402 174.900 0.130 0.000 1.673 93 G CA -0.559 44.634 45.100 0.155 0.000 0.776 93 G HN 0.478 nan 8.290 nan 0.000 0.740 94 K N 0.008 120.480 120.400 0.120 0.000 2.219 94 K HA 0.430 4.750 4.320 -0.000 0.000 0.258 94 K C -0.715 175.964 176.600 0.132 0.000 1.008 94 K CA -0.028 56.297 56.287 0.063 0.000 0.928 94 K CB 0.325 32.849 32.500 0.040 0.000 0.983 94 K HN 0.241 nan 8.250 nan 0.000 0.484 95 I N 2.604 123.166 120.570 -0.014 0.000 2.646 95 I HA 0.290 4.460 4.170 -0.000 0.000 0.299 95 I C -1.183 174.901 176.117 -0.054 0.000 1.036 95 I CA -1.079 60.268 61.300 0.078 0.000 1.074 95 I CB 1.471 39.450 38.000 -0.035 0.000 1.258 95 I HN 0.531 nan 8.210 nan 0.000 0.430 96 Y N 3.390 123.726 120.300 0.059 0.000 2.485 96 Y HA 0.613 5.163 4.550 -0.000 0.000 0.345 96 Y C -0.344 175.595 175.900 0.064 0.000 0.998 96 Y CA -1.048 57.072 58.100 0.032 0.000 1.059 96 Y CB 2.121 40.590 38.460 0.016 0.000 1.234 96 Y HN 0.069 nan 8.280 nan 0.000 0.461 97 V N 2.723 122.722 119.914 0.142 0.000 2.409 97 V HA 0.329 4.449 4.120 -0.000 0.000 0.290 97 V C -0.248 175.896 176.094 0.084 0.000 1.017 97 V CA -0.927 61.438 62.300 0.108 0.000 0.841 97 V CB 1.327 33.161 31.823 0.018 0.000 1.003 97 V HN 0.904 nan 8.190 nan 0.000 0.426 98 T N 4.162 118.788 114.554 0.119 0.000 2.813 98 T HA 0.272 4.622 4.350 -0.000 0.000 0.297 98 T C 0.407 175.096 174.700 -0.019 0.000 1.036 98 T CA -0.566 61.566 62.100 0.054 0.000 1.044 98 T CB 0.693 69.621 68.868 0.101 0.000 0.993 98 T HN 0.415 nan 8.240 nan 0.000 0.535 99 K N 1.249 121.609 120.400 -0.066 0.000 2.120 99 K HA 0.252 4.572 4.320 -0.000 0.000 0.245 99 K C -2.521 173.949 176.600 -0.216 0.000 1.024 99 K CA -2.122 54.032 56.287 -0.222 0.000 0.906 99 K CB -0.251 32.157 32.500 -0.153 0.000 1.051 99 K HN 0.286 nan 8.250 nan 0.000 0.491 100 P HA 0.048 nan 4.420 nan 0.000 0.266 100 P C -0.503 176.728 177.300 -0.116 0.000 1.215 100 P CA 0.514 63.376 63.100 -0.395 0.000 0.763 100 P CB 0.347 31.492 31.700 -0.924 0.000 0.806 101 M N 1.566 121.126 119.600 -0.067 0.000 2.719 101 M HA 0.766 5.246 4.480 -0.000 0.000 0.291 101 M C -1.382 174.934 176.300 0.027 0.000 1.264 101 M CA -1.219 54.084 55.300 0.006 0.000 0.811 101 M CB 1.865 34.478 32.600 0.021 0.000 1.756 101 M HN -0.160 nan 8.290 nan 0.000 0.464 102 V N 1.114 121.067 119.914 0.066 0.000 2.680 102 V HA 0.402 4.522 4.120 -0.000 0.000 0.309 102 V C -0.806 175.323 176.094 0.058 0.000 1.052 102 V CA -0.696 61.650 62.300 0.076 0.000 0.908 102 V CB 1.630 33.523 31.823 0.116 0.000 1.001 102 V HN 0.954 nan 8.190 nan 0.000 0.431 103 N N 3.155 121.884 118.700 0.048 0.000 2.482 103 N HA 0.126 4.866 4.740 -0.000 0.000 0.242 103 N C -0.112 175.419 175.510 0.035 0.000 1.100 103 N CA -0.027 53.042 53.050 0.032 0.000 0.946 103 N CB 0.372 38.884 38.487 0.041 0.000 1.227 103 N HN 0.675 nan 8.380 nan 0.000 0.508 104 E N 0.865 121.084 120.200 0.031 0.000 2.349 104 E HA 0.186 4.536 4.350 -0.000 0.000 0.265 104 E C -0.465 176.146 176.600 0.018 0.000 1.064 104 E CA -0.231 56.184 56.400 0.026 0.000 0.886 104 E CB 1.081 30.796 29.700 0.024 0.000 1.036 104 E HN 0.652 nan 8.360 nan 0.000 0.413 105 S N 1.243 116.952 115.700 0.016 0.000 2.566 105 S HA 0.368 4.838 4.470 -0.000 0.000 0.324 105 S C -0.800 173.805 174.600 0.008 0.000 1.081 105 S CA -0.848 57.361 58.200 0.014 0.000 1.105 105 S CB 0.692 63.902 63.200 0.018 0.000 0.981 105 S HN 0.432 nan 8.310 nan 0.000 0.464 106 D N 0.689 121.093 120.400 0.007 0.000 2.760 106 D HA 0.048 4.688 4.640 -0.000 0.000 0.244 106 D C 0.214 176.514 176.300 -0.000 0.000 1.096 106 D CA 1.929 55.931 54.000 0.003 0.000 0.716 106 D CB -1.405 39.397 40.800 0.003 0.000 1.075 106 D HN 1.241 nan 8.370 nan 0.000 0.434 107 G N -2.517 106.284 108.800 0.002 0.000 2.338 107 G HA2 0.469 4.429 3.960 -0.000 0.000 0.295 107 G HA3 0.469 4.429 3.960 -0.000 0.000 0.295 107 G C -0.514 174.392 174.900 0.009 0.000 1.461 107 G CA -0.387 44.713 45.100 0.000 0.000 0.817 107 G HN 0.327 nan 8.290 nan 0.000 0.556 108 V N 0.118 120.042 119.914 0.016 0.000 3.096 108 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 108 V C 1.285 177.411 176.094 0.053 0.000 1.088 108 V CA 0.057 62.376 62.300 0.031 0.000 1.129 108 V CB 1.273 33.122 31.823 0.043 0.000 1.014 108 V HN 0.805 nan 8.190 nan 0.000 0.486 109 T N 2.298 116.882 114.554 0.050 0.000 2.870 109 T HA 0.205 4.555 4.350 -0.000 0.000 0.300 109 T C -0.331 174.447 174.700 0.130 0.000 0.989 109 T CA 0.383 62.520 62.100 0.063 0.000 1.139 109 T CB -0.184 68.695 68.868 0.019 0.000 0.920 109 T HN 0.772 nan 8.240 nan 0.000 0.537 110 H N 1.161 120.245 119.070 0.024 0.000 2.573 110 H HA 0.627 5.183 4.556 -0.000 0.000 0.351 110 H C -0.288 175.080 175.328 0.067 0.000 1.163 110 H CA -0.637 55.436 56.048 0.042 0.000 1.205 110 H CB 1.051 30.838 29.762 0.043 0.000 1.605 110 H HN 0.727 nan 8.280 nan 0.000 0.525 111 A N 3.800 126.355 122.820 -0.441 0.000 2.409 111 A HA 0.384 4.704 4.320 -0.000 0.000 0.267 111 A C -0.920 176.603 177.584 -0.102 0.000 1.127 111 A CA -0.362 51.552 52.037 -0.205 0.000 0.795 111 A CB -0.264 18.620 19.000 -0.194 0.000 1.061 111 A HN 0.541 nan 8.150 nan 0.000 0.502 112 L N 3.242 124.501 121.223 0.061 0.000 2.295 112 L HA 0.645 4.985 4.340 -0.000 0.000 0.285 112 L C -1.239 175.775 176.870 0.241 0.000 1.035 112 L CA -0.230 54.722 54.840 0.187 0.000 0.806 112 L CB 0.742 42.871 42.059 0.117 0.000 1.214 112 L HN 0.616 nan 8.230 nan 0.000 0.426 113 Y N 5.910 126.356 120.300 0.242 0.000 2.487 113 Y HA 0.474 5.024 4.550 -0.000 0.000 0.337 113 Y C -1.552 174.539 175.900 0.318 0.000 1.076 113 Y CA -1.859 56.432 58.100 0.319 0.000 1.115 113 Y CB 1.044 39.562 38.460 0.097 0.000 1.235 113 Y HN 0.530 nan 8.280 nan 0.000 0.468 114 P HA -0.294 nan 4.420 nan 0.000 0.214 114 P C 1.225 178.576 177.300 0.086 0.000 1.169 114 P CA 1.815 64.904 63.100 -0.018 0.000 0.908 114 P CB 0.447 32.013 31.700 -0.223 0.000 0.791 115 Q N 0.299 120.163 119.800 0.107 0.000 2.325 115 Q HA -0.208 4.132 4.340 -0.000 0.000 0.211 115 Q C 2.144 178.200 176.000 0.093 0.000 0.988 115 Q CA 1.915 57.768 55.803 0.083 0.000 0.887 115 Q CB -0.831 27.946 28.738 0.065 0.000 0.915 115 Q HN 0.484 nan 8.270 nan 0.000 0.440 116 E N -1.843 118.442 120.200 0.142 0.000 2.140 116 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 116 E C 1.670 178.341 176.600 0.118 0.000 0.973 116 E CA 0.625 57.102 56.400 0.128 0.000 0.829 116 E CB -0.126 29.677 29.700 0.172 0.000 0.781 116 E HN 0.350 nan 8.360 nan 0.000 0.466 117 A N 1.365 124.282 122.820 0.161 0.000 1.930 117 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 117 A C 2.158 179.793 177.584 0.085 0.000 1.175 117 A CA 1.093 53.218 52.037 0.146 0.000 0.627 117 A CB -0.351 18.795 19.000 0.243 0.000 0.815 117 A HN 0.143 nan 8.150 nan 0.000 0.443 118 R N -0.688 119.857 120.500 0.075 0.000 2.066 118 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 118 R C 2.097 178.421 176.300 0.040 0.000 1.131 118 R CA 1.381 57.514 56.100 0.055 0.000 0.955 118 R CB -0.497 29.834 30.300 0.052 0.000 0.851 118 R HN 0.492 nan 8.270 nan 0.000 0.432 119 L N 0.229 121.477 121.223 0.040 0.000 1.976 119 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 119 L C 2.249 179.117 176.870 -0.002 0.000 1.071 119 L CA 1.429 56.289 54.840 0.033 0.000 0.746 119 L CB -0.321 41.761 42.059 0.037 0.000 0.890 119 L HN 0.108 nan 8.230 nan 0.000 0.432 120 R N 0.459 120.941 120.500 -0.029 0.000 2.346 120 R HA 0.004 4.344 4.340 -0.000 0.000 0.199 120 R C -0.013 176.131 176.300 -0.260 0.000 1.015 120 R CA 0.090 56.116 56.100 -0.122 0.000 1.058 120 R CB -0.494 29.767 30.300 -0.066 0.000 0.921 120 R HN 0.467 nan 8.270 nan 0.000 0.475 121 N N 0.726 119.324 118.700 -0.170 0.000 2.735 121 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 121 N C -0.567 174.876 175.510 -0.112 0.000 1.083 121 N CA 0.094 53.044 53.050 -0.166 0.000 0.703 121 N CB -0.763 37.501 38.487 -0.372 0.000 1.005 121 N HN 0.216 nan 8.380 nan 0.000 0.550 122 L N -0.284 120.920 121.223 -0.032 0.000 2.440 122 L HA 0.454 4.794 4.340 -0.000 0.000 0.262 122 L C 0.951 177.870 176.870 0.082 0.000 1.072 122 L CA -0.394 54.459 54.840 0.022 0.000 0.798 122 L CB 1.054 43.146 42.059 0.054 0.000 1.307 122 L HN -0.084 nan 8.230 nan 0.000 0.475 123 T N -0.564 114.052 114.554 0.103 0.000 2.770 123 T HA 0.206 4.556 4.350 -0.000 0.000 0.283 123 T C -0.683 174.125 174.700 0.180 0.000 0.988 123 T CA -0.163 62.020 62.100 0.138 0.000 0.957 123 T CB 0.320 69.254 68.868 0.110 0.000 0.930 123 T HN 0.241 nan 8.240 nan 0.000 0.443 124 Y N 4.863 125.213 120.300 0.083 0.000 2.530 124 Y HA 0.325 4.875 4.550 -0.000 0.000 0.340 124 Y C 0.776 176.731 175.900 0.091 0.000 1.247 124 Y CA -0.315 57.831 58.100 0.076 0.000 1.727 124 Y CB -0.595 37.896 38.460 0.053 0.000 1.613 124 Y HN 0.663 nan 8.280 nan 0.000 0.464 125 S N 1.006 116.692 115.700 -0.024 0.000 2.751 125 S HA 0.875 5.345 4.470 -0.000 0.000 0.310 125 S C -0.513 174.050 174.600 -0.061 0.000 1.128 125 S CA -0.898 57.314 58.200 0.020 0.000 0.931 125 S CB 2.067 65.323 63.200 0.093 0.000 1.177 125 S HN 0.270 nan 8.310 nan 0.000 0.530 126 S N -0.958 114.767 115.700 0.041 0.000 2.651 126 S HA 0.794 5.264 4.470 -0.000 0.000 0.279 126 S C 0.128 174.839 174.600 0.186 0.000 1.148 126 S CA -0.497 57.735 58.200 0.054 0.000 0.837 126 S CB 1.332 64.535 63.200 0.005 0.000 1.138 126 S HN 1.161 nan 8.310 nan 0.000 0.478 127 G N 0.126 109.077 108.800 0.252 0.000 2.554 127 G HA2 0.439 4.399 3.960 -0.000 0.000 0.238 127 G HA3 0.439 4.399 3.960 -0.000 0.000 0.238 127 G C -1.015 174.141 174.900 0.428 0.000 1.259 127 G CA 0.068 45.454 45.100 0.476 0.000 0.843 127 G HN 0.422 nan 8.290 nan 0.000 0.582 128 L N 1.841 123.305 121.223 0.401 0.000 2.529 128 L HA 0.456 4.796 4.340 -0.000 0.000 0.246 128 L C -0.829 176.138 176.870 0.162 0.000 1.394 128 L CA -0.542 54.434 54.840 0.228 0.000 0.906 128 L CB 0.097 42.221 42.059 0.109 0.000 1.170 128 L HN 0.372 nan 8.230 nan 0.000 0.501 129 F N 0.394 120.456 119.950 0.188 0.000 2.375 129 F HA 0.649 5.176 4.527 -0.000 0.000 0.313 129 F C 0.897 176.814 175.800 0.196 0.000 1.176 129 F CA -0.168 57.941 58.000 0.181 0.000 1.142 129 F CB 0.914 40.008 39.000 0.156 0.000 1.275 129 F HN 0.009 nan 8.300 nan 0.000 0.544 130 V N -1.180 118.959 119.914 0.375 0.000 3.703 130 V HA 0.485 4.605 4.120 -0.000 0.000 0.306 130 V C -1.319 174.967 176.094 0.319 0.000 1.407 130 V CA -0.809 61.696 62.300 0.343 0.000 0.974 130 V CB 1.865 33.905 31.823 0.362 0.000 1.188 130 V HN 0.620 nan 8.190 nan 0.000 0.477 131 D N 0.557 121.125 120.400 0.280 0.000 2.584 131 D HA 0.303 4.943 4.640 -0.000 0.000 0.238 131 D C -1.217 175.159 176.300 0.126 0.000 1.302 131 D CA 0.113 54.230 54.000 0.196 0.000 0.884 131 D CB 1.558 42.491 40.800 0.222 0.000 1.456 131 D HN 0.258 nan 8.370 nan 0.000 0.528 132 V N 2.423 122.369 119.914 0.054 0.000 2.775 132 V HA 0.270 4.390 4.120 -0.000 0.000 0.299 132 V C 0.615 176.666 176.094 -0.071 0.000 1.062 132 V CA 0.013 62.252 62.300 -0.103 0.000 1.063 132 V CB 1.302 33.022 31.823 -0.171 0.000 0.994 132 V HN 0.236 nan 8.190 nan 0.000 0.483 133 K N 3.600 123.931 120.400 -0.115 0.000 2.575 133 K HA 0.369 4.689 4.320 -0.000 0.000 0.236 133 K C -0.794 175.766 176.600 -0.067 0.000 0.976 133 K CA -0.497 55.755 56.287 -0.057 0.000 0.985 133 K CB 1.265 33.745 32.500 -0.033 0.000 1.198 133 K HN 0.528 nan 8.250 nan 0.000 0.464 134 K N 3.731 124.110 120.400 -0.036 0.000 2.220 134 K HA 0.177 4.497 4.320 -0.000 0.000 0.283 134 K C -0.227 176.395 176.600 0.036 0.000 1.098 134 K CA -0.129 56.151 56.287 -0.012 0.000 0.928 134 K CB 0.457 32.957 32.500 0.000 0.000 1.214 134 K HN 0.208 nan 8.250 nan 0.000 0.442 135 R N 1.657 122.198 120.500 0.068 0.000 2.393 135 R HA 0.175 4.515 4.340 -0.000 0.000 0.310 135 R C -0.358 176.118 176.300 0.293 0.000 0.968 135 R CA -0.683 55.529 56.100 0.186 0.000 0.867 135 R CB 1.447 31.889 30.300 0.237 0.000 1.124 135 R HN 0.334 nan 8.270 nan 0.000 0.450 136 T N 4.205 118.880 114.554 0.202 0.000 2.825 136 T HA 0.102 4.452 4.350 -0.000 0.000 0.270 136 T C -0.784 173.962 174.700 0.077 0.000 0.919 136 T CA 0.591 62.758 62.100 0.111 0.000 1.159 136 T CB -0.441 68.427 68.868 0.001 0.000 0.889 136 T HN 0.267 nan 8.240 nan 0.000 0.565 137 Y N 1.957 122.257 120.300 -0.000 0.000 2.349 137 Y HA 0.291 4.841 4.550 -0.000 0.000 0.324 137 Y C 0.816 176.720 175.900 0.007 0.000 1.005 137 Y CA -1.292 56.812 58.100 0.007 0.000 1.240 137 Y CB 0.988 39.459 38.460 0.019 0.000 1.117 137 Y HN 0.568 nan 8.280 nan 0.000 0.463 165 V N 1.885 121.960 119.914 0.268 0.000 3.456 165 V HA -0.242 3.878 4.120 -0.000 0.000 0.495 165 V C -0.767 175.326 176.094 -0.002 0.000 0.682 165 V CA 0.935 63.333 62.300 0.163 0.000 2.042 165 V CB -0.830 31.056 31.823 0.105 0.000 2.479 165 V HN 0.400 nan 8.190 nan 0.000 0.506 166 F N 6.513 126.178 119.950 -0.475 0.000 2.415 166 F HA 0.820 5.347 4.527 -0.000 0.000 0.348 166 F C 0.025 175.556 175.800 -0.449 0.000 1.119 166 F CA -0.968 56.379 58.000 -1.088 0.000 1.069 166 F CB 1.087 39.455 39.000 -1.055 0.000 1.124 166 F HN 0.390 nan 8.300 nan 0.000 0.472 167 I N 6.806 126.733 120.570 -1.071 0.000 2.497 167 I HA 0.531 4.701 4.170 -0.000 0.000 0.284 167 I C 0.267 175.944 176.117 -0.733 0.000 1.060 167 I CA -0.569 60.276 61.300 -0.757 0.000 1.071 167 I CB 1.164 39.015 38.000 -0.248 0.000 1.216 167 I HN 0.984 nan 8.210 nan 0.000 0.442 168 G N 5.709 114.045 108.800 -0.774 0.000 2.877 168 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.279 168 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.279 168 G C -0.701 174.066 174.900 -0.221 0.000 1.431 168 G CA -0.727 44.153 45.100 -0.366 0.000 0.883 168 G HN 0.659 nan 8.290 nan 0.000 0.547 169 R N -1.116 119.400 120.500 0.028 0.000 2.621 169 R HA 0.570 4.910 4.340 -0.000 0.000 0.284 169 R C -1.187 175.207 176.300 0.157 0.000 0.998 169 R CA -0.964 55.228 56.100 0.153 0.000 0.895 169 R CB 2.085 32.499 30.300 0.190 0.000 1.195 169 R HN 0.619 nan 8.270 nan 0.000 0.450 170 L N 4.798 126.133 121.223 0.186 0.000 2.319 170 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 170 L C -2.441 174.555 176.870 0.211 0.000 1.005 170 L CA -2.037 52.933 54.840 0.216 0.000 0.828 170 L CB 1.501 43.718 42.059 0.263 0.000 1.227 170 L HN 0.421 nan 8.230 nan 0.000 0.415 171 P HA 0.150 nan 4.420 nan 0.000 0.271 171 P C -0.577 176.950 177.300 0.379 0.000 1.216 171 P CA 0.140 63.359 63.100 0.199 0.000 0.771 171 P CB 0.914 32.649 31.700 0.058 0.000 0.864 172 I N 3.795 124.592 120.570 0.378 0.000 2.385 172 I HA 0.293 4.463 4.170 -0.000 0.000 0.294 172 I C 1.136 177.229 176.117 -0.040 0.000 0.988 172 I CA -0.994 60.474 61.300 0.280 0.000 1.265 172 I CB 1.393 39.500 38.000 0.178 0.000 1.388 172 I HN 0.259 nan 8.210 nan 0.000 0.480 173 M N 6.642 125.723 119.600 -0.864 0.000 2.184 173 M HA 0.205 4.685 4.480 -0.000 0.000 0.351 173 M C -0.780 175.073 176.300 -0.745 0.000 1.395 173 M CA -0.680 53.755 55.300 -1.442 0.000 1.117 173 M CB 0.447 31.964 32.600 -1.806 0.000 1.708 173 M HN 0.340 nan 8.290 nan 0.000 0.468 174 L N 6.491 127.238 121.223 -0.794 0.000 2.593 174 L HA -0.065 4.274 4.340 -0.000 0.000 0.287 174 L C 1.141 177.753 176.870 -0.431 0.000 1.243 174 L CA 1.240 55.700 54.840 -0.634 0.000 0.890 174 L CB -0.086 41.431 42.059 -0.903 0.000 1.134 174 L HN 0.822 nan 8.230 nan 0.000 0.502 175 R N -0.494 119.852 120.500 -0.256 0.000 3.951 175 R HA -0.175 4.165 4.340 -0.000 0.000 0.352 175 R C 0.231 176.472 176.300 -0.100 0.000 1.178 175 R CA 0.782 56.792 56.100 -0.150 0.000 0.949 175 R CB -2.258 27.955 30.300 -0.145 0.000 1.452 175 R HN 0.795 nan 8.270 nan 0.000 0.540 176 S N -0.223 115.425 115.700 -0.087 0.000 2.681 176 S HA 0.324 4.794 4.470 -0.000 0.000 0.270 176 S C 1.208 175.831 174.600 0.037 0.000 1.209 176 S CA -0.896 57.323 58.200 0.032 0.000 0.988 176 S CB 1.722 65.040 63.200 0.198 0.000 1.006 176 S HN 0.171 nan 8.310 nan 0.000 0.558 177 K N 0.640 121.077 120.400 0.061 0.000 2.113 177 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 177 K C 1.511 178.110 176.600 -0.001 0.000 1.047 177 K CA 1.868 58.169 56.287 0.023 0.000 0.928 177 K CB -0.467 32.045 32.500 0.021 0.000 0.716 177 K HN 0.574 nan 8.250 nan 0.000 0.446 178 N N -0.072 118.642 118.700 0.022 0.000 2.515 178 N HA -0.046 4.694 4.740 -0.000 0.000 0.185 178 N C -0.251 175.174 175.510 -0.141 0.000 1.109 178 N CA 0.153 53.182 53.050 -0.035 0.000 0.903 178 N CB 0.192 38.700 38.487 0.035 0.000 0.969 178 N HN 0.144 nan 8.380 nan 0.000 0.450 179 C N -0.112 119.131 119.300 -0.096 0.000 2.401 179 C HA 0.235 4.695 4.460 -0.000 0.000 0.365 179 C C 1.630 176.536 174.990 -0.139 0.000 1.250 179 C CA -0.758 58.184 59.018 -0.128 0.000 2.131 179 C CB -0.711 27.009 27.740 -0.033 0.000 2.445 179 C HN 0.518 nan 8.230 nan 0.000 0.550 180 Y N 2.847 123.138 120.300 -0.016 0.000 2.165 180 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 180 Y C 2.156 178.051 175.900 -0.009 0.000 1.155 180 Y CA 1.624 59.694 58.100 -0.051 0.000 1.164 180 Y CB -0.300 38.050 38.460 -0.185 0.000 0.978 180 Y HN 0.625 nan 8.280 nan 0.000 0.513 181 L N -0.087 121.220 121.223 0.140 0.000 2.187 181 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 181 L C 2.618 179.501 176.870 0.022 0.000 1.100 181 L CA 1.330 56.209 54.840 0.065 0.000 0.765 181 L CB -1.045 41.014 42.059 -0.001 0.000 0.904 181 L HN 0.332 nan 8.230 nan 0.000 0.437 182 S N 0.446 116.150 115.700 0.007 0.000 2.392 182 S HA -0.267 4.203 4.470 -0.000 0.000 0.232 182 S C 1.667 176.273 174.600 0.009 0.000 1.041 182 S CA 1.860 60.057 58.200 -0.005 0.000 1.026 182 S CB -0.300 62.894 63.200 -0.010 0.000 0.845 182 S HN 0.624 nan 8.310 nan 0.000 0.465 183 E N 1.371 121.590 120.200 0.030 0.000 2.364 183 E HA 0.444 4.794 4.350 -0.000 0.000 0.196 183 E C 0.893 177.513 176.600 0.034 0.000 0.990 183 E CA 0.205 56.624 56.400 0.032 0.000 0.886 183 E CB -0.021 29.705 29.700 0.044 0.000 0.866 183 E HN 0.672 nan 8.360 nan 0.000 0.493 184 A N 2.367 125.214 122.820 0.046 0.000 2.587 184 A HA 0.039 4.359 4.320 -0.000 0.000 0.235 184 A C 0.859 178.450 177.584 0.011 0.000 1.044 184 A CA 0.459 52.519 52.037 0.039 0.000 0.754 184 A CB -0.228 18.801 19.000 0.048 0.000 0.968 184 A HN 0.241 nan 8.150 nan 0.000 0.509 185 T N -0.249 114.311 114.554 0.011 0.000 2.771 185 T HA 0.260 4.610 4.350 -0.000 0.000 0.290 185 T C 1.010 175.702 174.700 -0.013 0.000 1.005 185 T CA 0.405 62.505 62.100 -0.000 0.000 0.944 185 T CB 0.592 69.465 68.868 0.009 0.000 1.147 185 T HN 0.715 nan 8.240 nan 0.000 0.534 186 E N -0.390 119.802 120.200 -0.014 0.000 2.204 186 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 186 E C 2.125 178.779 176.600 0.091 0.000 0.990 186 E CA 1.105 57.495 56.400 -0.016 0.000 0.821 186 E CB -0.191 29.511 29.700 0.002 0.000 0.750 186 E HN 0.650 nan 8.360 nan 0.000 0.477 187 S N 0.017 115.772 115.700 0.091 0.000 2.371 187 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 187 S C 1.555 176.214 174.600 0.099 0.000 1.036 187 S CA 1.035 59.312 58.200 0.128 0.000 0.965 187 S CB -0.181 63.052 63.200 0.055 0.000 0.845 187 S HN 0.293 nan 8.310 nan 0.000 0.475 188 D N 1.463 121.891 120.400 0.048 0.000 2.133 188 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 188 D C 1.997 178.314 176.300 0.028 0.000 0.997 188 D CA 1.156 55.178 54.000 0.035 0.000 0.840 188 D CB -0.318 40.503 40.800 0.035 0.000 0.947 188 D HN 0.390 nan 8.370 nan 0.000 0.452 189 L N -0.230 120.988 121.223 -0.008 0.000 2.017 189 L HA -0.217 4.122 4.340 -0.000 0.000 0.208 189 L C 2.553 179.367 176.870 -0.094 0.000 1.073 189 L CA 1.137 55.933 54.840 -0.073 0.000 0.745 189 L CB -0.573 41.384 42.059 -0.171 0.000 0.894 189 L HN 0.074 nan 8.230 nan 0.000 0.432 190 Y N 0.516 120.790 120.300 -0.043 0.000 2.165 190 Y HA -0.287 4.263 4.550 -0.000 0.000 0.286 190 Y C 2.655 178.525 175.900 -0.050 0.000 1.155 190 Y CA 1.440 59.508 58.100 -0.053 0.000 1.164 190 Y CB -0.123 38.299 38.460 -0.064 0.000 0.978 190 Y HN 0.095 nan 8.280 nan 0.000 0.513 191 K N 0.081 120.548 120.400 0.112 0.000 2.097 191 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 191 K C 1.547 178.143 176.600 -0.006 0.000 1.049 191 K CA 1.255 57.562 56.287 0.033 0.000 0.933 191 K CB -0.402 32.101 32.500 0.004 0.000 0.717 191 K HN 0.342 nan 8.250 nan 0.000 0.442 192 L N 1.197 122.416 121.223 -0.006 0.000 2.675 192 L HA 0.005 4.345 4.340 -0.000 0.000 0.238 192 L C 0.130 177.001 176.870 0.000 0.000 1.155 192 L CA 0.375 55.206 54.840 -0.015 0.000 0.881 192 L CB -0.508 41.583 42.059 0.053 0.000 1.008 192 L HN 0.204 nan 8.230 nan 0.000 0.443 193 K N -0.153 120.247 120.400 -0.001 0.000 3.088 193 K HA -0.177 4.143 4.320 -0.000 0.000 0.273 193 K C -0.021 176.567 176.600 -0.020 0.000 1.111 193 K CA 0.611 56.895 56.287 -0.004 0.000 0.803 193 K CB -1.010 31.487 32.500 -0.005 0.000 1.226 193 K HN 0.265 nan 8.250 nan 0.000 0.485 194 E N 0.795 120.967 120.200 -0.047 0.000 2.158 194 E HA 0.127 4.476 4.350 -0.000 0.000 0.271 194 E C -0.472 176.032 176.600 -0.161 0.000 0.911 194 E CA -0.537 55.826 56.400 -0.062 0.000 0.767 194 E CB 1.616 31.296 29.700 -0.034 0.000 1.120 194 E HN 0.278 nan 8.360 nan 0.000 0.405 195 C N 6.680 125.907 119.300 -0.121 0.000 2.633 195 C HA 0.112 4.572 4.460 -0.000 0.000 0.415 195 C C -0.800 174.061 174.990 -0.215 0.000 1.393 195 C CA -1.262 57.653 59.018 -0.172 0.000 1.700 195 C CB -0.089 27.639 27.740 -0.020 0.000 2.541 195 C HN 0.562 nan 8.230 nan 0.000 0.603 196 P HA -0.060 nan 4.420 nan 0.000 0.234 196 P C 0.838 177.943 177.300 -0.325 0.000 1.167 196 P CA 1.405 64.252 63.100 -0.422 0.000 0.763 196 P CB -0.109 31.223 31.700 -0.613 0.000 0.835 197 F N -0.331 119.552 119.950 -0.111 0.000 2.776 197 F HA 0.130 4.657 4.527 -0.000 0.000 0.300 197 F C 1.258 177.141 175.800 0.137 0.000 1.116 197 F CA -0.394 57.581 58.000 -0.042 0.000 1.375 197 F CB 0.044 38.923 39.000 -0.202 0.000 1.109 197 F HN -0.172 nan 8.300 nan 0.000 0.585 198 D N 1.946 122.487 120.400 0.235 0.000 2.450 198 D HA -0.038 4.602 4.640 -0.000 0.000 0.247 198 D C 1.406 177.812 176.300 0.176 0.000 1.162 198 D CA 0.123 54.258 54.000 0.225 0.000 0.879 198 D CB 0.936 41.823 40.800 0.145 0.000 1.163 198 D HN 0.108 nan 8.370 nan 0.000 0.472 199 M N 2.237 121.947 119.600 0.183 0.000 2.236 199 M HA 0.095 4.575 4.480 -0.000 0.000 0.266 199 M C 1.095 177.431 176.300 0.060 0.000 1.070 199 M CA 1.248 56.614 55.300 0.111 0.000 1.137 199 M CB -1.341 31.298 32.600 0.064 0.000 1.378 199 M HN 0.421 nan 8.290 nan 0.000 0.426 200 G N 1.203 110.096 108.800 0.154 0.000 2.385 200 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.294 200 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.294 200 G C 0.391 175.122 174.900 -0.282 0.000 1.070 200 G CA 0.167 45.197 45.100 -0.117 0.000 1.172 200 G HN 1.035 nan 8.290 nan 0.000 0.516 201 G N -0.065 108.691 108.800 -0.073 0.000 4.331 201 G HA2 0.681 4.641 3.960 -0.000 0.000 0.299 201 G HA3 0.681 4.641 3.960 -0.000 0.000 0.299 201 G C 0.057 174.827 174.900 -0.216 0.000 1.158 201 G CA 0.199 45.188 45.100 -0.186 0.000 0.916 201 G HN 1.295 nan 8.290 nan 0.000 0.553 202 Y N -2.274 117.765 120.300 -0.435 0.000 2.805 202 Y HA 0.846 5.396 4.550 -0.000 0.000 0.323 202 Y C -1.126 174.390 175.900 -0.641 0.000 1.279 202 Y CA -2.493 55.341 58.100 -0.443 0.000 1.103 202 Y CB 1.187 39.505 38.460 -0.235 0.000 1.324 202 Y HN -0.125 nan 8.280 nan 0.000 0.498 203 F N 0.525 120.462 119.950 -0.022 0.000 2.575 203 F HA 0.661 5.188 4.527 -0.000 0.000 0.330 203 F C -0.534 175.299 175.800 0.054 0.000 1.056 203 F CA -1.073 56.887 58.000 -0.068 0.000 0.964 203 F CB 1.940 40.913 39.000 -0.045 0.000 1.258 203 F HN 0.252 nan 8.300 nan 0.000 0.484 204 I N 3.258 123.977 120.570 0.248 0.000 2.382 204 I HA 0.355 4.525 4.170 -0.000 0.000 0.285 204 I C -1.281 174.952 176.117 0.193 0.000 1.007 204 I CA -0.394 61.018 61.300 0.186 0.000 1.142 204 I CB 1.090 39.158 38.000 0.113 0.000 1.289 204 I HN 0.311 nan 8.210 nan 0.000 0.453 205 I N 6.604 127.262 120.570 0.146 0.000 2.418 205 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 205 I C 0.430 176.601 176.117 0.089 0.000 1.008 205 I CA -0.269 61.099 61.300 0.112 0.000 1.104 205 I CB 1.243 39.294 38.000 0.084 0.000 1.264 205 I HN 0.451 nan 8.210 nan 0.000 0.438 206 N N 5.029 123.779 118.700 0.082 0.000 2.693 206 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 206 N C 1.062 176.604 175.510 0.053 0.000 1.119 206 N CA 1.430 54.519 53.050 0.065 0.000 0.717 206 N CB -0.950 37.586 38.487 0.081 0.000 1.071 206 N HN 1.176 nan 8.380 nan 0.000 0.555 207 G N -1.958 106.876 108.800 0.057 0.000 2.232 207 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.226 207 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.226 207 G C -0.011 174.922 174.900 0.056 0.000 0.996 207 G CA 0.693 45.822 45.100 0.049 0.000 0.626 207 G HN 1.349 nan 8.290 nan 0.000 0.509 208 S N 0.339 116.075 115.700 0.060 0.000 2.475 208 S HA 0.671 5.141 4.470 -0.000 0.000 0.298 208 S C -0.266 174.367 174.600 0.054 0.000 1.119 208 S CA -0.352 57.872 58.200 0.041 0.000 1.085 208 S CB 2.076 65.295 63.200 0.032 0.000 1.028 208 S HN 0.368 nan 8.310 nan 0.000 0.489 209 E N 2.532 122.745 120.200 0.023 0.000 2.299 209 E HA 0.182 4.532 4.350 -0.000 0.000 0.272 209 E C -0.364 176.245 176.600 0.016 0.000 1.043 209 E CA -0.143 56.285 56.400 0.046 0.000 0.895 209 E CB 0.480 30.111 29.700 -0.115 0.000 1.011 209 E HN 0.373 nan 8.360 nan 0.000 0.432 210 K N 2.548 123.017 120.400 0.116 0.000 2.274 210 K HA 0.395 4.715 4.320 -0.000 0.000 0.262 210 K C -0.724 175.943 176.600 0.112 0.000 0.961 210 K CA -0.777 55.560 56.287 0.084 0.000 0.833 210 K CB 1.923 34.491 32.500 0.114 0.000 1.102 210 K HN 0.199 nan 8.250 nan 0.000 0.436 211 V N 3.906 123.794 119.914 -0.043 0.000 2.547 211 V HA 0.423 4.543 4.120 -0.000 0.000 0.299 211 V C 0.125 176.178 176.094 -0.068 0.000 1.040 211 V CA -1.001 61.245 62.300 -0.090 0.000 0.913 211 V CB 1.643 33.239 31.823 -0.380 0.000 0.992 211 V HN 0.545 nan 8.190 nan 0.000 0.449 212 L N 5.335 126.544 121.223 -0.023 0.000 2.264 212 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 212 L C -0.328 176.470 176.870 -0.121 0.000 1.039 212 L CA -0.462 54.325 54.840 -0.089 0.000 0.829 212 L CB 0.954 42.978 42.059 -0.059 0.000 1.211 212 L HN 0.426 nan 8.230 nan 0.000 0.427 213 I N 2.827 123.317 120.570 -0.133 0.000 2.588 213 I HA 0.104 4.274 4.170 -0.000 0.000 0.283 213 I C 1.058 177.105 176.117 -0.117 0.000 1.119 213 I CA -0.080 61.164 61.300 -0.093 0.000 1.419 213 I CB 0.882 38.851 38.000 -0.052 0.000 1.394 213 I HN 0.573 nan 8.210 nan 0.000 0.562 214 A N 7.654 130.427 122.820 -0.079 0.000 2.548 214 A HA 0.106 4.426 4.320 -0.000 0.000 0.247 214 A C 0.302 177.841 177.584 -0.075 0.000 1.067 214 A CA -0.232 51.760 52.037 -0.075 0.000 0.757 214 A CB -0.135 18.843 19.000 -0.037 0.000 0.996 214 A HN 0.651 nan 8.150 nan 0.000 0.504 215 Q N 1.722 121.461 119.800 -0.101 0.000 2.331 215 Q HA 0.241 4.580 4.340 -0.000 0.000 0.257 215 Q C -0.202 175.768 176.000 -0.050 0.000 0.957 215 Q CA -0.027 55.723 55.803 -0.089 0.000 0.923 215 Q CB 1.524 30.178 28.738 -0.140 0.000 1.212 215 Q HN 0.874 nan 8.270 nan 0.000 0.443 216 E N 3.246 123.436 120.200 -0.015 0.000 2.249 216 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 216 E C -0.449 176.150 176.600 -0.001 0.000 1.016 216 E CA -0.403 56.002 56.400 0.008 0.000 0.830 216 E CB 0.901 30.644 29.700 0.072 0.000 1.081 216 E HN 0.506 nan 8.360 nan 0.000 0.395 217 R N 1.976 122.467 120.500 -0.015 0.000 2.734 217 R HA 0.328 4.668 4.340 -0.000 0.000 0.271 217 R C -1.246 175.043 176.300 -0.019 0.000 1.021 217 R CA -0.714 55.381 56.100 -0.010 0.000 0.893 217 R CB 1.142 31.434 30.300 -0.013 0.000 1.244 217 R HN 0.468 nan 8.270 nan 0.000 0.464 218 S N 0.531 116.230 115.700 -0.003 0.000 2.584 218 S HA 0.399 4.869 4.470 -0.000 0.000 0.270 218 S C 0.302 174.892 174.600 -0.016 0.000 1.346 218 S CA 0.016 58.215 58.200 -0.003 0.000 1.018 218 S CB 0.993 64.210 63.200 0.028 0.000 0.899 218 S HN 0.690 nan 8.310 nan 0.000 0.542 219 A N 1.288 124.090 122.820 -0.029 0.000 2.313 219 A HA 0.648 4.968 4.320 -0.000 0.000 0.261 219 A C 0.660 178.246 177.584 0.003 0.000 1.090 219 A CA -0.064 51.954 52.037 -0.031 0.000 0.807 219 A CB -0.159 18.800 19.000 -0.068 0.000 1.055 219 A HN 0.893 nan 8.150 nan 0.000 0.492 220 G N -0.849 107.959 108.800 0.012 0.000 2.489 220 G HA2 0.472 4.432 3.960 -0.000 0.000 0.327 220 G HA3 0.472 4.432 3.960 -0.000 0.000 0.327 220 G C -0.251 174.646 174.900 -0.006 0.000 1.189 220 G CA -0.440 44.664 45.100 0.006 0.000 0.962 220 G HN 0.942 nan 8.290 nan 0.000 0.486 221 N N -1.452 117.190 118.700 -0.097 0.000 2.780 221 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 221 N C -0.532 174.979 175.510 0.001 0.000 1.102 221 N CA 0.887 53.788 53.050 -0.248 0.000 0.697 221 N CB -1.224 37.118 38.487 -0.242 0.000 1.028 221 N HN 0.551 nan 8.380 nan 0.000 0.554 222 I N 0.362 120.968 120.570 0.060 0.000 2.466 222 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 222 I C 0.406 176.592 176.117 0.115 0.000 1.026 222 I CA -1.009 60.370 61.300 0.131 0.000 1.078 222 I CB 2.127 40.178 38.000 0.085 0.000 1.249 222 I HN -0.282 nan 8.210 nan 0.000 0.429 223 V N 6.383 126.395 119.914 0.164 0.000 2.637 223 V HA 0.205 4.325 4.120 -0.000 0.000 0.296 223 V C -0.003 176.043 176.094 -0.080 0.000 1.046 223 V CA -0.080 62.267 62.300 0.079 0.000 1.066 223 V CB 0.831 32.694 31.823 0.067 0.000 0.968 223 V HN 0.721 nan 8.190 nan 0.000 0.483 224 Q N 2.753 122.428 119.800 -0.210 0.000 2.263 224 Q HA 0.494 4.834 4.340 -0.000 0.000 0.262 224 Q C -1.605 173.922 176.000 -0.788 0.000 0.984 224 Q CA -0.547 54.958 55.803 -0.498 0.000 0.813 224 Q CB 2.704 31.123 28.738 -0.532 0.000 1.299 224 Q HN 0.600 nan 8.270 nan 0.000 0.428 225 V N 3.377 122.884 119.914 -0.677 0.000 2.472 225 V HA 0.591 4.711 4.120 -0.000 0.000 0.290 225 V C -0.612 175.173 176.094 -0.515 0.000 1.037 225 V CA -0.280 61.734 62.300 -0.477 0.000 0.908 225 V CB 0.670 32.373 31.823 -0.201 0.000 0.985 225 V HN 0.580 nan 8.190 nan 0.000 0.454 226 F N 2.307 122.276 119.950 0.031 0.000 2.556 226 F HA 0.535 5.062 4.527 -0.000 0.000 0.314 226 F C 0.535 176.316 175.800 -0.033 0.000 1.106 226 F CA -1.097 56.907 58.000 0.007 0.000 0.911 226 F CB 2.009 41.006 39.000 -0.004 0.000 1.190 226 F HN 0.335 nan 8.300 nan 0.000 0.448 227 K N 1.771 122.244 120.400 0.121 0.000 2.332 227 K HA 0.472 4.792 4.320 -0.000 0.000 0.246 227 K C -0.306 176.237 176.600 -0.095 0.000 1.066 227 K CA -0.701 55.503 56.287 -0.138 0.000 0.898 227 K CB 0.644 33.056 32.500 -0.147 0.000 1.192 227 K HN 0.541 nan 8.250 nan 0.000 0.509 228 K N -0.807 119.494 120.400 -0.165 0.000 2.430 228 K HA 0.404 4.724 4.320 -0.000 0.000 0.268 228 K C -1.269 175.283 176.600 -0.081 0.000 1.043 228 K CA -0.855 55.373 56.287 -0.098 0.000 0.899 228 K CB 1.911 34.354 32.500 -0.095 0.000 1.472 228 K HN 0.660 nan 8.250 nan 0.000 0.451 229 A N 0.558 123.344 122.820 -0.056 0.000 2.440 229 A HA 0.411 4.731 4.320 -0.000 0.000 0.251 229 A C 1.120 178.682 177.584 -0.036 0.000 1.089 229 A CA 0.771 52.784 52.037 -0.040 0.000 0.779 229 A CB 0.465 19.448 19.000 -0.029 0.000 1.022 229 A HN 0.787 nan 8.150 nan 0.000 0.492 230 A N 4.335 127.139 122.820 -0.027 0.000 1.903 230 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 230 A C 0.425 178.003 177.584 -0.009 0.000 1.191 230 A CA 2.122 54.149 52.037 -0.017 0.000 0.638 230 A CB -1.673 17.322 19.000 -0.009 0.000 0.823 230 A HN 0.731 nan 8.150 nan 0.000 0.451 231 P HA -0.106 nan 4.420 nan 0.000 0.215 231 P C 0.896 178.197 177.300 0.002 0.000 1.153 231 P CA 1.553 64.653 63.100 0.001 0.000 0.853 231 P CB -0.707 30.993 31.700 0.000 0.000 0.788 232 S N 1.009 116.704 115.700 -0.008 0.000 2.563 232 S HA 0.071 4.541 4.470 -0.000 0.000 0.284 232 S C -1.070 173.527 174.600 -0.006 0.000 1.331 232 S CA -0.714 57.479 58.200 -0.010 0.000 1.047 232 S CB 0.092 63.274 63.200 -0.031 0.000 0.859 232 S HN 0.108 nan 8.310 nan 0.000 0.514 233 P HA 0.195 nan 4.420 nan 0.000 0.236 233 P C 0.074 177.364 177.300 -0.017 0.000 1.177 233 P CA 0.503 63.626 63.100 0.039 0.000 0.773 233 P CB 0.006 31.769 31.700 0.107 0.000 0.878 234 I N 0.637 121.138 120.570 -0.116 0.000 2.392 234 I HA 0.098 4.268 4.170 -0.000 0.000 0.295 234 I C 1.601 177.655 176.117 -0.104 0.000 0.985 234 I CA -0.308 60.868 61.300 -0.206 0.000 1.221 234 I CB 1.871 39.669 38.000 -0.337 0.000 1.366 234 I HN -0.134 nan 8.210 nan 0.000 0.467 235 S N 4.047 119.717 115.700 -0.050 0.000 2.499 235 S HA 0.210 4.680 4.470 -0.000 0.000 0.225 235 S C 0.568 175.003 174.600 -0.275 0.000 1.050 235 S CA 0.164 58.315 58.200 -0.082 0.000 0.928 235 S CB 0.190 63.449 63.200 0.098 0.000 0.803 235 S HN 0.613 nan 8.310 nan 0.000 0.506 236 H N -0.238 118.813 119.070 -0.031 0.000 2.851 236 H HA 0.695 5.251 4.556 -0.000 0.000 0.372 236 H C -1.667 173.648 175.328 -0.022 0.000 1.158 236 H CA -0.690 55.350 56.048 -0.013 0.000 1.159 236 H CB 2.313 32.066 29.762 -0.014 0.000 1.757 236 H HN 0.055 nan 8.280 nan 0.000 0.546 237 V N 1.097 121.074 119.914 0.105 0.000 2.760 237 V HA 0.523 4.643 4.120 -0.000 0.000 0.309 237 V C -0.378 175.721 176.094 0.008 0.000 1.077 237 V CA -0.866 61.470 62.300 0.060 0.000 0.910 237 V CB 1.771 33.639 31.823 0.074 0.000 1.008 237 V HN 0.909 nan 8.190 nan 0.000 0.424 238 A N 3.540 126.358 122.820 -0.004 0.000 2.273 238 A HA 0.790 5.110 4.320 -0.000 0.000 0.315 238 A C -0.389 177.185 177.584 -0.016 0.000 1.256 238 A CA -0.420 51.579 52.037 -0.063 0.000 0.851 238 A CB 0.623 19.598 19.000 -0.041 0.000 1.172 238 A HN 0.847 nan 8.150 nan 0.000 0.508 239 E N 1.109 121.269 120.200 -0.066 0.000 2.263 239 E HA 0.774 5.124 4.350 -0.000 0.000 0.264 239 E C -1.446 175.178 176.600 0.040 0.000 0.923 239 E CA -0.641 55.773 56.400 0.025 0.000 0.802 239 E CB 2.256 32.007 29.700 0.086 0.000 1.228 239 E HN 0.666 nan 8.360 nan 0.000 0.417 240 I N 1.146 121.769 120.570 0.088 0.000 2.753 240 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 240 I C -1.634 174.520 176.117 0.061 0.000 1.425 240 I CA -0.417 60.935 61.300 0.087 0.000 1.039 240 I CB 1.510 39.601 38.000 0.153 0.000 1.349 240 I HN 0.416 nan 8.210 nan 0.000 0.430 241 R N 4.748 125.265 120.500 0.029 0.000 2.332 241 R HA 0.378 4.718 4.340 -0.000 0.000 0.306 241 R C -0.308 175.975 176.300 -0.030 0.000 1.117 241 R CA -0.382 55.731 56.100 0.022 0.000 1.108 241 R CB 1.183 31.504 30.300 0.036 0.000 1.126 241 R HN 0.702 nan 8.270 nan 0.000 0.548 242 S N 1.182 116.861 115.700 -0.035 0.000 2.576 242 S HA 0.683 5.153 4.470 -0.000 0.000 0.276 242 S C 0.024 174.642 174.600 0.029 0.000 1.339 242 S CA -0.673 57.486 58.200 -0.068 0.000 1.039 242 S CB 1.879 65.103 63.200 0.040 0.000 0.902 242 S HN 0.581 nan 8.310 nan 0.000 0.516 243 A N 2.038 124.885 122.820 0.044 0.000 2.605 243 A HA 0.662 4.982 4.320 -0.000 0.000 0.294 243 A C -1.181 176.461 177.584 0.097 0.000 1.062 243 A CA -0.974 51.115 52.037 0.087 0.000 0.682 243 A CB 0.880 19.920 19.000 0.067 0.000 1.278 243 A HN 0.808 nan 8.150 nan 0.000 0.410 244 L N 1.113 122.400 121.223 0.108 0.000 2.325 244 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 244 L C 1.159 178.078 176.870 0.083 0.000 1.023 244 L CA -0.490 54.402 54.840 0.086 0.000 0.811 244 L CB 1.722 43.827 42.059 0.075 0.000 1.249 244 L HN 1.015 nan 8.230 nan 0.000 0.431 245 E N 1.164 121.404 120.200 0.066 0.000 2.076 245 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 245 E C -0.121 176.517 176.600 0.064 0.000 0.979 245 E CA 0.968 57.405 56.400 0.062 0.000 0.807 245 E CB 0.305 30.035 29.700 0.050 0.000 0.761 245 E HN 0.456 nan 8.360 nan 0.000 0.454 246 K N -0.988 119.444 120.400 0.053 0.000 2.166 246 K HA 0.423 4.743 4.320 -0.000 0.000 0.245 246 K C 0.463 177.099 176.600 0.061 0.000 0.967 246 K CA 0.024 56.342 56.287 0.051 0.000 0.863 246 K CB 1.905 34.424 32.500 0.032 0.000 1.107 246 K HN 0.136 nan 8.250 nan 0.000 0.436 247 G N 0.774 109.614 108.800 0.067 0.000 4.655 247 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.220 247 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.220 247 G C -0.017 174.957 174.900 0.124 0.000 1.403 247 G CA 0.524 45.672 45.100 0.079 0.000 0.931 247 G HN 1.002 nan 8.290 nan 0.000 0.654 248 S N -1.502 114.288 115.700 0.150 0.000 2.655 248 S HA 0.709 5.179 4.470 -0.000 0.000 0.266 248 S C -0.763 173.971 174.600 0.224 0.000 1.149 248 S CA -0.123 58.207 58.200 0.218 0.000 0.818 248 S CB 1.386 64.806 63.200 0.366 0.000 1.130 248 S HN 0.926 nan 8.310 nan 0.000 0.476 249 R N 0.202 120.835 120.500 0.220 0.000 2.983 249 R HA 0.334 4.674 4.340 -0.000 0.000 0.300 249 R C -1.434 174.973 176.300 0.178 0.000 1.367 249 R CA -0.319 55.884 56.100 0.172 0.000 1.564 249 R CB -0.103 30.256 30.300 0.100 0.000 1.314 249 R HN 0.456 nan 8.270 nan 0.000 0.622 250 F N 1.954 121.933 119.950 0.049 0.000 2.516 250 F HA 0.076 4.603 4.527 -0.000 0.000 0.351 250 F C 1.126 176.956 175.800 0.049 0.000 1.208 250 F CA -0.233 57.800 58.000 0.055 0.000 1.073 250 F CB 0.103 39.139 39.000 0.061 0.000 1.203 250 F HN 0.237 nan 8.300 nan 0.000 0.602 251 I N 3.341 123.972 120.570 0.102 0.000 2.330 251 I HA 0.022 4.192 4.170 -0.000 0.000 0.280 251 I C 0.258 176.423 176.117 0.079 0.000 1.069 251 I CA -0.212 61.135 61.300 0.078 0.000 1.873 251 I CB -0.851 37.170 38.000 0.036 0.000 1.476 251 I HN 0.380 nan 8.210 nan 0.000 0.813 252 S N 1.622 117.397 115.700 0.125 0.000 2.448 252 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 252 S C 0.310 174.965 174.600 0.091 0.000 1.195 252 S CA -0.714 57.553 58.200 0.111 0.000 1.051 252 S CB 0.547 63.844 63.200 0.162 0.000 0.948 252 S HN 0.352 nan 8.310 nan 0.000 0.493 253 T N 4.581 119.178 114.554 0.072 0.000 2.780 253 T HA 0.389 4.739 4.350 -0.000 0.000 0.294 253 T C -0.261 174.500 174.700 0.102 0.000 0.949 253 T CA -0.469 61.678 62.100 0.079 0.000 1.074 253 T CB 0.561 69.469 68.868 0.067 0.000 0.910 253 T HN 0.600 nan 8.240 nan 0.000 0.501 254 L N 4.036 125.333 121.223 0.123 0.000 2.295 254 L HA 0.453 4.793 4.340 -0.000 0.000 0.285 254 L C -0.521 176.436 176.870 0.145 0.000 1.035 254 L CA -0.062 54.876 54.840 0.164 0.000 0.806 254 L CB 1.225 43.409 42.059 0.209 0.000 1.214 254 L HN 0.586 nan 8.230 nan 0.000 0.426 255 Q N 4.471 124.355 119.800 0.140 0.000 2.321 255 Q HA 0.541 4.881 4.340 -0.000 0.000 0.270 255 Q C -1.419 174.656 176.000 0.125 0.000 1.032 255 Q CA -0.877 54.996 55.803 0.117 0.000 0.784 255 Q CB 2.758 31.554 28.738 0.097 0.000 1.264 255 Q HN 0.500 nan 8.270 nan 0.000 0.448 256 V N 3.088 123.068 119.914 0.110 0.000 2.293 256 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 256 V C -0.360 175.787 176.094 0.087 0.000 1.021 256 V CA -0.718 61.651 62.300 0.115 0.000 0.815 256 V CB 0.596 32.489 31.823 0.116 0.000 1.025 256 V HN 0.601 nan 8.190 nan 0.000 0.448 257 K N 3.868 124.324 120.400 0.093 0.000 2.130 257 K HA 0.630 4.950 4.320 -0.000 0.000 0.268 257 K C -0.725 175.913 176.600 0.064 0.000 0.983 257 K CA -0.818 55.483 56.287 0.024 0.000 0.893 257 K CB 2.137 34.578 32.500 -0.099 0.000 1.066 257 K HN 0.456 nan 8.250 nan 0.000 0.450 258 L N 4.002 125.241 121.223 0.027 0.000 2.321 258 L HA 0.285 4.625 4.340 -0.000 0.000 0.272 258 L C -1.340 175.568 176.870 0.063 0.000 1.050 258 L CA -0.361 54.533 54.840 0.090 0.000 0.893 258 L CB -0.223 41.892 42.059 0.094 0.000 1.272 258 L HN 0.424 nan 8.230 nan 0.000 0.435 259 Y N 3.650 123.993 120.300 0.071 0.000 2.597 259 Y HA 0.458 5.008 4.550 -0.000 0.000 0.336 259 Y C 1.323 177.259 175.900 0.060 0.000 1.216 259 Y CA 1.052 59.190 58.100 0.063 0.000 1.463 259 Y CB 0.602 39.095 38.460 0.055 0.000 1.303 259 Y HN 0.826 nan 8.280 nan 0.000 0.576 260 G N 2.881 111.790 108.800 0.181 0.000 2.788 260 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 260 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 260 G C -0.870 174.087 174.900 0.095 0.000 1.147 260 G CA -1.160 44.016 45.100 0.127 0.000 0.755 260 G HN 0.634 nan 8.290 nan 0.000 0.634 261 R N 0.814 121.359 120.500 0.075 0.000 2.700 261 R HA 0.456 4.796 4.340 -0.000 0.000 0.253 261 R C 0.168 176.508 176.300 0.068 0.000 1.091 261 R CA -0.926 55.215 56.100 0.069 0.000 1.104 261 R CB 0.960 31.287 30.300 0.044 0.000 1.202 261 R HN 0.650 nan 8.270 nan 0.000 0.532 262 E N 1.031 121.273 120.200 0.069 0.000 2.481 262 E HA 0.032 4.382 4.350 -0.000 0.000 0.240 262 E C 0.089 176.715 176.600 0.043 0.000 1.193 262 E CA 0.648 57.082 56.400 0.056 0.000 0.955 262 E CB -0.189 29.544 29.700 0.054 0.000 1.006 262 E HN 0.843 nan 8.360 nan 0.000 0.483 263 G N 2.496 111.320 108.800 0.041 0.000 2.797 263 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.192 263 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.192 263 G C -0.160 174.762 174.900 0.037 0.000 1.101 263 G CA -0.084 45.038 45.100 0.036 0.000 0.930 263 G HN 0.545 nan 8.290 nan 0.000 0.512 264 S N -1.240 114.485 115.700 0.042 0.000 2.627 264 S HA 0.840 5.310 4.470 -0.000 0.000 0.283 264 S C 0.207 174.832 174.600 0.041 0.000 1.127 264 S CA 0.054 58.280 58.200 0.044 0.000 0.863 264 S CB 1.758 64.991 63.200 0.056 0.000 1.121 264 S HN 1.819 nan 8.310 nan 0.000 0.479 265 S N 1.122 116.845 115.700 0.037 0.000 2.457 265 S HA 0.509 4.979 4.470 -0.000 0.000 0.294 265 S C 0.709 175.329 174.600 0.035 0.000 1.201 265 S CA -0.267 57.951 58.200 0.031 0.000 1.112 265 S CB -0.919 62.297 63.200 0.026 0.000 1.018 265 S HN 2.361 nan 8.310 nan 0.000 0.511 266 A N 3.044 125.883 122.820 0.032 0.000 1.701 266 A HA -0.167 4.153 4.320 -0.000 0.000 0.223 266 A C 0.370 177.984 177.584 0.049 0.000 1.303 266 A CA 0.098 52.154 52.037 0.033 0.000 0.689 266 A CB -1.274 17.739 19.000 0.022 0.000 1.177 266 A HN 0.886 nan 8.150 nan 0.000 0.227 267 R N 1.431 121.965 120.500 0.057 0.000 2.316 267 R HA 0.375 4.714 4.340 -0.000 0.000 0.314 267 R C 0.527 176.880 176.300 0.088 0.000 1.069 267 R CA 0.396 56.547 56.100 0.084 0.000 0.959 267 R CB 0.870 31.216 30.300 0.076 0.000 0.987 267 R HN 0.692 nan 8.270 nan 0.000 0.446 268 T N 3.099 117.726 114.554 0.122 0.000 2.944 268 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 268 T C -0.068 174.741 174.700 0.182 0.000 1.010 268 T CA -0.546 61.620 62.100 0.110 0.000 1.025 268 T CB 0.742 69.641 68.868 0.052 0.000 1.079 268 T HN 0.359 nan 8.240 nan 0.000 0.516 269 I N 3.276 123.937 120.570 0.152 0.000 2.418 269 I HA 0.453 4.623 4.170 -0.000 0.000 0.287 269 I C -0.242 175.988 176.117 0.188 0.000 1.008 269 I CA -0.727 60.685 61.300 0.186 0.000 1.104 269 I CB 1.624 39.703 38.000 0.132 0.000 1.264 269 I HN 0.416 nan 8.210 nan 0.000 0.438 270 K N 4.828 125.386 120.400 0.264 0.000 2.375 270 K HA 0.868 5.188 4.320 -0.000 0.000 0.249 270 K C -0.986 175.740 176.600 0.210 0.000 0.942 270 K CA -0.788 55.632 56.287 0.220 0.000 0.806 270 K CB 2.821 35.458 32.500 0.228 0.000 1.227 270 K HN 0.602 nan 8.250 nan 0.000 0.430 271 A N 0.949 123.861 122.820 0.153 0.000 2.311 271 A HA 0.608 4.928 4.320 -0.000 0.000 0.334 271 A C -0.673 176.988 177.584 0.127 0.000 1.139 271 A CA -0.602 51.518 52.037 0.138 0.000 0.830 271 A CB 1.138 20.206 19.000 0.113 0.000 1.234 271 A HN 0.563 nan 8.150 nan 0.000 0.483 272 T N 2.589 117.221 114.554 0.130 0.000 2.801 272 T HA 0.483 4.833 4.350 -0.000 0.000 0.306 272 T C -0.232 174.532 174.700 0.107 0.000 1.020 272 T CA 0.043 62.210 62.100 0.112 0.000 0.948 272 T CB -0.245 68.686 68.868 0.105 0.000 0.962 272 T HN 0.422 nan 8.240 nan 0.000 0.465 273 L N 5.579 126.849 121.223 0.078 0.000 2.357 273 L HA 0.489 4.829 4.340 -0.000 0.000 0.273 273 L C -1.782 175.125 176.870 0.063 0.000 1.080 273 L CA -2.421 52.464 54.840 0.075 0.000 0.803 273 L CB 0.948 43.011 42.059 0.005 0.000 1.174 273 L HN 0.317 nan 8.230 nan 0.000 0.443 274 P HA 0.103 nan 4.420 nan 0.000 0.280 274 P C -0.823 176.489 177.300 0.019 0.000 1.244 274 P CA 0.072 63.121 63.100 -0.084 0.000 0.784 274 P CB 0.596 32.241 31.700 -0.091 0.000 0.913 275 Y N -0.589 119.769 120.300 0.096 0.000 4.936 275 Y HA -0.222 4.328 4.550 -0.000 0.000 0.260 275 Y C 0.449 176.434 175.900 0.142 0.000 0.928 275 Y CA 0.075 58.254 58.100 0.130 0.000 1.869 275 Y CB -2.402 36.160 38.460 0.171 0.000 1.344 275 Y HN 0.236 nan 8.280 nan 0.000 0.521 276 I N 1.282 121.958 120.570 0.177 0.000 2.307 276 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 276 I C 0.640 176.812 176.117 0.091 0.000 1.021 276 I CA -0.541 60.846 61.300 0.143 0.000 1.224 276 I CB 1.211 39.277 38.000 0.109 0.000 1.376 276 I HN -0.129 nan 8.210 nan 0.000 0.470 277 K N 4.984 125.432 120.400 0.081 0.000 3.077 277 K HA 0.154 4.474 4.320 -0.000 0.000 0.269 277 K C -0.304 176.320 176.600 0.041 0.000 0.973 277 K CA 0.170 56.489 56.287 0.054 0.000 1.162 277 K CB -0.571 31.956 32.500 0.044 0.000 1.079 277 K HN 0.556 nan 8.250 nan 0.000 0.456 278 Q N -0.195 119.635 119.800 0.051 0.000 2.646 278 Q HA 0.084 4.424 4.340 -0.000 0.000 0.260 278 Q C -1.762 174.284 176.000 0.078 0.000 0.975 278 Q CA -0.575 55.258 55.803 0.051 0.000 0.936 278 Q CB 1.238 29.986 28.738 0.017 0.000 1.591 278 Q HN 0.099 nan 8.270 nan 0.000 0.412 279 D N 2.922 123.379 120.400 0.095 0.000 2.351 279 D HA 0.249 4.889 4.640 -0.000 0.000 0.251 279 D C -0.382 175.991 176.300 0.122 0.000 1.137 279 D CA 0.255 54.328 54.000 0.122 0.000 0.879 279 D CB 0.714 41.623 40.800 0.182 0.000 1.181 279 D HN 0.299 nan 8.370 nan 0.000 0.448 280 I N 5.025 125.672 120.570 0.129 0.000 2.315 280 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 280 I C -1.985 174.188 176.117 0.094 0.000 1.006 280 I CA -2.525 58.869 61.300 0.157 0.000 1.265 280 I CB 1.101 39.191 38.000 0.149 0.000 1.387 280 I HN 0.042 nan 8.210 nan 0.000 0.475 281 P HA 0.005 nan 4.420 nan 0.000 0.262 281 P C 1.313 178.636 177.300 0.039 0.000 1.182 281 P CA 0.165 63.286 63.100 0.036 0.000 0.761 281 P CB 0.412 32.103 31.700 -0.014 0.000 0.795 282 I N 1.527 122.153 120.570 0.094 0.000 2.248 282 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 282 I C 1.726 177.986 176.117 0.238 0.000 1.107 282 I CA 1.460 62.850 61.300 0.150 0.000 1.373 282 I CB -1.018 37.130 38.000 0.247 0.000 1.055 282 I HN 0.003 nan 8.210 nan 0.000 0.418 283 V N 1.828 121.846 119.914 0.173 0.000 2.407 283 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 283 V C 2.588 178.732 176.094 0.084 0.000 1.055 283 V CA 2.160 64.554 62.300 0.157 0.000 1.049 283 V CB -0.461 31.391 31.823 0.047 0.000 0.662 283 V HN 0.450 nan 8.190 nan 0.000 0.455 284 I N -0.521 120.026 120.570 -0.038 0.000 2.226 284 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 284 I C 2.267 178.343 176.117 -0.068 0.000 1.100 284 I CA 1.730 62.950 61.300 -0.132 0.000 1.374 284 I CB -0.336 37.465 38.000 -0.332 0.000 1.057 284 I HN 0.240 nan 8.210 nan 0.000 0.413 285 I N 0.261 120.786 120.570 -0.075 0.000 2.163 285 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 285 I C 2.427 178.448 176.117 -0.161 0.000 1.085 285 I CA 1.809 63.002 61.300 -0.179 0.000 1.347 285 I CB -0.472 37.345 38.000 -0.305 0.000 1.044 285 I HN 0.086 nan 8.210 nan 0.000 0.408 286 F N 0.909 120.820 119.950 -0.065 0.000 2.202 286 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 286 F C 2.672 178.420 175.800 -0.086 0.000 1.082 286 F CA 1.304 59.257 58.000 -0.079 0.000 1.313 286 F CB -0.294 38.654 39.000 -0.087 0.000 1.024 286 F HN -0.047 nan 8.300 nan 0.000 0.495 287 R N -0.281 120.273 120.500 0.090 0.000 2.153 287 R HA 0.069 4.409 4.340 -0.000 0.000 0.218 287 R C 2.226 178.524 176.300 -0.004 0.000 1.072 287 R CA 0.894 57.008 56.100 0.024 0.000 0.990 287 R CB -0.597 29.696 30.300 -0.012 0.000 0.889 287 R HN 0.227 nan 8.270 nan 0.000 0.452 288 A N 1.047 123.852 122.820 -0.025 0.000 2.168 288 A HA 0.007 4.326 4.320 -0.000 0.000 0.215 288 A C 1.841 179.409 177.584 -0.025 0.000 1.152 288 A CA 0.750 52.769 52.037 -0.030 0.000 0.716 288 A CB -0.188 18.779 19.000 -0.055 0.000 0.794 288 A HN 0.161 nan 8.150 nan 0.000 0.465 289 L N -1.837 119.374 121.223 -0.021 0.000 2.607 289 L HA 0.271 4.611 4.340 -0.000 0.000 0.228 289 L C 1.573 178.446 176.870 0.005 0.000 1.123 289 L CA 0.544 55.382 54.840 -0.004 0.000 0.890 289 L CB 0.109 42.161 42.059 -0.012 0.000 1.103 289 L HN 0.509 nan 8.230 nan 0.000 0.468 290 G N 0.906 109.709 108.800 0.005 0.000 2.157 290 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 290 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 290 G C 0.209 175.112 174.900 0.004 0.000 0.982 290 G CA -0.381 44.721 45.100 0.003 0.000 0.650 290 G HN 0.251 nan 8.290 nan 0.000 0.527 291 I N 2.181 122.758 120.570 0.011 0.000 2.347 291 I HA 0.266 4.436 4.170 -0.000 0.000 0.283 291 I C 1.200 177.320 176.117 0.005 0.000 1.058 291 I CA -0.957 60.343 61.300 0.001 0.000 1.202 291 I CB 0.549 38.525 38.000 -0.040 0.000 1.386 291 I HN -0.110 nan 8.210 nan 0.000 0.475 292 I N 5.954 126.521 120.570 -0.006 0.000 2.556 292 I HA 0.106 4.276 4.170 -0.000 0.000 0.251 292 I C -1.378 174.725 176.117 -0.024 0.000 1.105 292 I CA -0.008 61.283 61.300 -0.015 0.000 1.436 292 I CB -1.968 36.020 38.000 -0.019 0.000 1.139 292 I HN 0.301 nan 8.210 nan 0.000 0.438 293 P HA 0.031 nan 4.420 nan 0.000 0.267 293 P C -0.127 177.149 177.300 -0.039 0.000 1.209 293 P CA 0.302 63.387 63.100 -0.025 0.000 0.763 293 P CB 0.892 32.579 31.700 -0.021 0.000 0.816 294 D N 3.800 124.182 120.400 -0.030 0.000 2.157 294 D HA -0.198 4.441 4.640 -0.000 0.000 0.191 294 D C 2.315 178.576 176.300 -0.064 0.000 1.004 294 D CA 2.275 56.249 54.000 -0.043 0.000 0.854 294 D CB -1.041 39.751 40.800 -0.013 0.000 0.936 294 D HN 0.586 nan 8.370 nan 0.000 0.446 295 G N 0.603 109.373 108.800 -0.050 0.000 2.513 295 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 295 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 295 G C 1.505 176.364 174.900 -0.069 0.000 1.160 295 G CA 0.984 46.047 45.100 -0.061 0.000 0.767 295 G HN 0.321 nan 8.290 nan 0.000 0.571 296 E N -0.125 120.044 120.200 -0.051 0.000 2.106 296 E HA -0.053 4.296 4.350 -0.000 0.000 0.192 296 E C 2.603 179.209 176.600 0.010 0.000 0.984 296 E CA 0.566 56.959 56.400 -0.011 0.000 0.806 296 E CB -0.120 29.594 29.700 0.023 0.000 0.750 296 E HN 0.531 nan 8.360 nan 0.000 0.458 297 I N 1.035 121.526 120.570 -0.132 0.000 2.163 297 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 297 I C 2.394 178.290 176.117 -0.369 0.000 1.081 297 I CA 1.010 62.067 61.300 -0.405 0.000 1.353 297 I CB -0.261 37.462 38.000 -0.463 0.000 1.054 297 I HN 0.109 nan 8.210 nan 0.000 0.407 298 L N 0.343 121.434 121.223 -0.221 0.000 2.131 298 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 298 L C 2.506 179.299 176.870 -0.129 0.000 1.092 298 L CA 1.313 56.053 54.840 -0.167 0.000 0.759 298 L CB -0.582 41.412 42.059 -0.109 0.000 0.903 298 L HN 0.356 nan 8.230 nan 0.000 0.435 299 E N -0.639 119.506 120.200 -0.091 0.000 2.204 299 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 299 E C 1.924 178.527 176.600 0.005 0.000 0.989 299 E CA 0.658 57.028 56.400 -0.050 0.000 0.824 299 E CB 0.145 29.808 29.700 -0.063 0.000 0.756 299 E HN 0.555 nan 8.360 nan 0.000 0.477 300 H N -0.852 118.186 119.070 -0.054 0.000 2.547 300 H HA 0.032 4.588 4.556 -0.000 0.000 0.272 300 H C 1.656 177.101 175.328 0.196 0.000 0.989 300 H CA 0.766 56.875 56.048 0.102 0.000 1.214 300 H CB 0.543 30.198 29.762 -0.177 0.000 1.389 300 H HN 0.275 nan 8.280 nan 0.000 0.577 301 I N -0.923 119.623 120.570 -0.040 0.000 3.132 301 I HA -0.028 4.142 4.170 -0.000 0.000 0.255 301 I C 0.899 176.635 176.117 -0.635 0.000 1.118 301 I CA 0.202 61.398 61.300 -0.173 0.000 1.463 301 I CB 0.706 38.644 38.000 -0.102 0.000 1.356 301 I HN 0.025 nan 8.210 nan 0.000 0.463 302 C N 1.777 120.788 119.300 -0.480 0.000 2.265 302 C HA 0.324 4.784 4.460 -0.000 0.000 0.332 302 C C 0.095 174.858 174.990 -0.378 0.000 1.248 302 C CA -0.449 58.312 59.018 -0.428 0.000 1.727 302 C CB -1.211 26.419 27.740 -0.184 0.000 2.348 302 C HN 0.386 nan 8.230 nan 0.000 0.519 303 Y N 3.797 124.179 120.300 0.137 0.000 2.897 303 Y HA 0.399 4.949 4.550 -0.000 0.000 0.372 303 Y C 0.668 176.636 175.900 0.113 0.000 1.034 303 Y CA -0.421 57.772 58.100 0.155 0.000 1.627 303 Y CB -0.123 38.472 38.460 0.225 0.000 1.474 303 Y HN 0.624 nan 8.280 nan 0.000 0.517 304 D N -0.043 120.440 120.400 0.139 0.000 2.333 304 D HA 0.084 4.724 4.640 -0.000 0.000 0.225 304 D C 0.408 176.754 176.300 0.077 0.000 1.345 304 D CA -0.061 54.007 54.000 0.113 0.000 0.971 304 D CB 1.689 42.543 40.800 0.090 0.000 1.451 304 D HN 0.082 nan 8.370 nan 0.000 0.561 305 V N 2.960 122.927 119.914 0.089 0.000 2.867 305 V HA -0.148 3.972 4.120 -0.000 0.000 0.260 305 V C 1.716 177.859 176.094 0.082 0.000 1.099 305 V CA 1.170 63.513 62.300 0.072 0.000 1.122 305 V CB -0.388 31.479 31.823 0.073 0.000 0.708 305 V HN 0.506 nan 8.190 nan 0.000 0.490 306 N N -0.317 118.440 118.700 0.095 0.000 2.280 306 N HA 0.001 4.741 4.740 -0.000 0.000 0.192 306 N C 0.690 176.295 175.510 0.158 0.000 1.109 306 N CA 0.211 53.340 53.050 0.131 0.000 0.855 306 N CB 0.016 38.575 38.487 0.120 0.000 0.974 306 N HN 0.394 nan 8.380 nan 0.000 0.482 307 D N 1.840 122.285 120.400 0.074 0.000 2.688 307 D HA -0.041 4.599 4.640 -0.000 0.000 0.228 307 D C 1.436 177.698 176.300 -0.063 0.000 1.116 307 D CA -0.580 53.401 54.000 -0.030 0.000 1.023 307 D CB -0.309 40.456 40.800 -0.058 0.000 1.100 307 D HN 0.320 nan 8.370 nan 0.000 0.487 308 W N 1.825 123.122 121.300 -0.006 0.000 2.387 308 W HA -0.155 4.505 4.660 -0.000 0.000 0.272 308 W C 0.918 177.429 176.519 -0.014 0.000 1.224 308 W CA 0.155 57.494 57.345 -0.011 0.000 1.210 308 W CB -0.585 28.870 29.460 -0.008 0.000 1.125 308 W HN 0.271 nan 8.180 nan 0.000 0.572 309 Q N 0.532 119.742 119.800 -0.982 0.000 2.083 309 Q HA -0.164 4.176 4.340 -0.000 0.000 0.198 309 Q C 2.503 178.282 176.000 -0.368 0.000 0.969 309 Q CA 1.883 57.157 55.803 -0.882 0.000 0.838 309 Q CB -0.340 27.826 28.738 -0.953 0.000 0.900 309 Q HN 0.356 nan 8.270 nan 0.000 0.436 310 M N 0.538 119.971 119.600 -0.278 0.000 2.099 310 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 310 M C 1.949 178.185 176.300 -0.107 0.000 1.067 310 M CA 1.314 56.512 55.300 -0.169 0.000 1.124 310 M CB 0.019 32.532 32.600 -0.146 0.000 1.353 310 M HN 0.182 nan 8.290 nan 0.000 0.410 311 L N 0.247 121.425 121.223 -0.076 0.000 2.081 311 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 311 L C 2.408 179.275 176.870 -0.004 0.000 1.080 311 L CA 1.538 56.361 54.840 -0.028 0.000 0.754 311 L CB -0.767 41.299 42.059 0.011 0.000 0.893 311 L HN 0.391 nan 8.230 nan 0.000 0.433 312 E N 0.207 120.414 120.200 0.011 0.000 2.153 312 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 312 E C 2.183 178.786 176.600 0.004 0.000 0.988 312 E CA 1.351 57.776 56.400 0.042 0.000 0.811 312 E CB -0.057 29.700 29.700 0.094 0.000 0.746 312 E HN 0.328 nan 8.360 nan 0.000 0.466 313 M N -0.373 119.208 119.600 -0.033 0.000 2.394 313 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 313 M C 1.498 177.790 176.300 -0.014 0.000 1.073 313 M CA 0.844 56.126 55.300 -0.031 0.000 1.111 313 M CB -0.042 32.521 32.600 -0.061 0.000 1.401 313 M HN 0.189 nan 8.290 nan 0.000 0.448 314 L N -0.835 120.378 121.223 -0.018 0.000 2.529 314 L HA -0.030 4.310 4.340 -0.000 0.000 0.223 314 L C 2.249 179.118 176.870 -0.003 0.000 1.113 314 L CA 0.198 55.032 54.840 -0.011 0.000 0.861 314 L CB -0.455 41.586 42.059 -0.029 0.000 1.012 314 L HN 0.201 nan 8.230 nan 0.000 0.461 315 K N 1.517 121.917 120.400 0.001 0.000 2.044 315 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 315 K C -0.521 176.079 176.600 0.000 0.000 1.049 315 K CA 1.717 58.005 56.287 0.001 0.000 0.927 315 K CB -0.750 31.754 32.500 0.007 0.000 0.713 315 K HN 0.166 nan 8.250 nan 0.000 0.443 316 P HA -0.094 nan 4.420 nan 0.000 0.223 316 P C 0.906 178.217 177.300 0.017 0.000 1.151 316 P CA 1.022 64.128 63.100 0.010 0.000 0.787 316 P CB -0.059 31.653 31.700 0.019 0.000 0.788 317 C N -0.448 118.865 119.300 0.023 0.000 2.453 317 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 317 C C 2.985 177.992 174.990 0.029 0.000 1.262 317 C CA 0.535 59.572 59.018 0.033 0.000 1.718 317 C CB -1.489 26.273 27.740 0.037 0.000 2.031 317 C HN 0.104 nan 8.230 nan 0.000 0.480 318 V N 1.055 120.981 119.914 0.020 0.000 2.332 318 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 318 V C 2.332 178.462 176.094 0.059 0.000 1.055 318 V CA 2.072 64.391 62.300 0.032 0.000 1.038 318 V CB -0.729 31.105 31.823 0.018 0.000 0.651 318 V HN 0.624 nan 8.190 nan 0.000 0.450 319 E N -0.457 119.755 120.200 0.020 0.000 2.204 319 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 319 E C 1.782 178.415 176.600 0.055 0.000 0.989 319 E CA 1.210 57.612 56.400 0.004 0.000 0.824 319 E CB -0.169 29.502 29.700 -0.049 0.000 0.756 319 E HN 0.560 nan 8.360 nan 0.000 0.477 320 D N -0.179 120.245 120.400 0.039 0.000 2.312 320 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 320 D C 1.270 177.578 176.300 0.013 0.000 0.964 320 D CA 0.827 54.845 54.000 0.029 0.000 0.877 320 D CB 0.136 40.946 40.800 0.017 0.000 0.924 320 D HN 0.178 nan 8.370 nan 0.000 0.515 321 G N -1.272 107.542 108.800 0.023 0.000 3.863 321 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.290 321 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.290 321 G C 0.617 175.521 174.900 0.006 0.000 1.018 321 G CA -0.411 44.660 45.100 -0.049 0.000 0.824 321 G HN 0.154 nan 8.290 nan 0.000 0.507 322 F N 1.276 121.184 119.950 -0.070 0.000 2.171 322 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 322 F C 2.371 178.140 175.800 -0.051 0.000 1.090 322 F CA 1.409 59.379 58.000 -0.050 0.000 1.293 322 F CB 0.043 39.024 39.000 -0.031 0.000 1.013 322 F HN 0.031 nan 8.300 nan 0.000 0.486 323 V N 0.914 120.771 119.914 -0.096 0.000 2.392 323 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 323 V C 1.391 177.354 176.094 -0.218 0.000 1.059 323 V CA 1.223 63.422 62.300 -0.167 0.000 1.051 323 V CB -0.760 31.047 31.823 -0.027 0.000 0.658 323 V HN 0.115 nan 8.190 nan 0.000 0.455 324 I N 0.419 120.860 120.570 -0.214 0.000 2.325 324 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 324 I C 0.702 176.710 176.117 -0.181 0.000 1.019 324 I CA 0.161 61.349 61.300 -0.186 0.000 1.302 324 I CB 1.365 39.227 38.000 -0.229 0.000 1.401 324 I HN 0.114 nan 8.210 nan 0.000 0.485 325 Q N 4.068 123.776 119.800 -0.153 0.000 2.139 325 Q HA 0.171 4.511 4.340 -0.000 0.000 0.219 325 Q C -1.391 174.560 176.000 -0.081 0.000 0.805 325 Q CA -0.178 55.544 55.803 -0.135 0.000 1.024 325 Q CB 0.543 29.177 28.738 -0.173 0.000 1.163 325 Q HN 0.841 nan 8.270 nan 0.000 0.485 326 D N -3.685 116.677 120.400 -0.063 0.000 2.623 326 D HA 0.190 4.830 4.640 -0.000 0.000 0.241 326 D C 0.156 176.441 176.300 -0.026 0.000 1.241 326 D CA -0.812 53.166 54.000 -0.038 0.000 0.788 326 D CB 0.703 41.484 40.800 -0.032 0.000 1.413 326 D HN -0.114 nan 8.370 nan 0.000 0.429 327 R N -0.055 120.436 120.500 -0.015 0.000 2.117 327 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 327 R C 1.302 177.603 176.300 0.002 0.000 1.143 327 R CA 1.771 57.867 56.100 -0.007 0.000 0.968 327 R CB 0.006 30.305 30.300 -0.003 0.000 0.863 327 R HN 0.594 nan 8.270 nan 0.000 0.444 328 E N -0.879 119.323 120.200 0.004 0.000 2.028 328 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 328 E C 1.913 178.529 176.600 0.028 0.000 0.988 328 E CA 1.788 58.197 56.400 0.015 0.000 0.799 328 E CB -0.114 29.592 29.700 0.011 0.000 0.755 328 E HN 0.373 nan 8.360 nan 0.000 0.447 329 T N 1.381 115.947 114.554 0.019 0.000 2.803 329 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 329 T C 1.914 176.656 174.700 0.070 0.000 1.052 329 T CA 1.227 63.351 62.100 0.039 0.000 1.136 329 T CB -0.169 68.702 68.868 0.005 0.000 0.864 329 T HN 0.225 nan 8.240 nan 0.000 0.467 330 A N 1.281 124.117 122.820 0.027 0.000 1.855 330 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 330 A C 2.301 179.941 177.584 0.094 0.000 1.191 330 A CA 1.024 53.075 52.037 0.024 0.000 0.613 330 A CB -0.803 18.183 19.000 -0.024 0.000 0.829 330 A HN 0.455 nan 8.150 nan 0.000 0.442 331 L N -0.509 120.750 121.223 0.061 0.000 2.042 331 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 331 L C 2.403 179.331 176.870 0.097 0.000 1.076 331 L CA 1.946 56.824 54.840 0.064 0.000 0.749 331 L CB -0.614 41.469 42.059 0.039 0.000 0.893 331 L HN 0.523 nan 8.230 nan 0.000 0.432 332 D N -0.390 120.069 120.400 0.098 0.000 2.144 332 D HA -0.257 4.383 4.640 -0.000 0.000 0.199 332 D C 2.035 178.400 176.300 0.108 0.000 0.984 332 D CA 0.891 54.944 54.000 0.089 0.000 0.834 332 D CB -0.023 40.819 40.800 0.069 0.000 0.955 332 D HN 0.202 nan 8.370 nan 0.000 0.465 333 F N 0.714 120.667 119.950 0.006 0.000 2.069 333 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 333 F C 2.009 177.818 175.800 0.015 0.000 1.113 333 F CA 1.499 59.502 58.000 0.006 0.000 1.214 333 F CB -0.178 38.820 39.000 -0.003 0.000 0.978 333 F HN 0.009 nan 8.300 nan 0.000 0.474 334 I N -0.252 120.469 120.570 0.251 0.000 2.252 334 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 334 I C 2.713 178.889 176.117 0.098 0.000 1.102 334 I CA 1.271 62.660 61.300 0.149 0.000 1.385 334 I CB -1.311 36.756 38.000 0.112 0.000 1.064 334 I HN 0.300 nan 8.210 nan 0.000 0.414 335 G N 0.940 109.805 108.800 0.110 0.000 2.442 335 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 335 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 335 G C 1.805 176.750 174.900 0.075 0.000 1.141 335 G CA 0.423 45.613 45.100 0.150 0.000 0.763 335 G HN 0.313 nan 8.290 nan 0.000 0.554 336 R N 0.066 120.559 120.500 -0.011 0.000 2.092 336 R HA 0.029 4.369 4.340 -0.000 0.000 0.231 336 R C 2.218 178.476 176.300 -0.071 0.000 1.119 336 R CA 0.626 56.687 56.100 -0.066 0.000 0.970 336 R CB -0.188 30.038 30.300 -0.123 0.000 0.864 336 R HN 0.236 nan 8.270 nan 0.000 0.440 337 R N 0.383 120.836 120.500 -0.079 0.000 2.346 337 R HA 0.029 4.369 4.340 -0.000 0.000 0.199 337 R C 1.063 177.387 176.300 0.040 0.000 1.015 337 R CA 0.793 56.862 56.100 -0.051 0.000 1.058 337 R CB 0.163 30.420 30.300 -0.070 0.000 0.921 337 R HN 0.250 nan 8.270 nan 0.000 0.475 338 G N -0.081 108.766 108.800 0.078 0.000 4.530 338 G HA2 0.102 4.062 3.960 -0.000 0.000 0.284 338 G HA3 0.102 4.062 3.960 -0.000 0.000 0.284 338 G C -0.348 174.517 174.900 -0.058 0.000 1.008 338 G CA -0.023 45.173 45.100 0.160 0.000 0.770 338 G HN 0.047 nan 8.290 nan 0.000 0.424 339 T N 0.071 114.560 114.554 -0.107 0.000 2.868 339 T HA 0.672 5.022 4.350 -0.000 0.000 0.306 339 T C 0.042 174.673 174.700 -0.115 0.000 1.224 339 T CA 0.127 62.107 62.100 -0.200 0.000 1.012 339 T CB 1.958 70.689 68.868 -0.227 0.000 1.221 339 T HN 0.451 nan 8.240 nan 0.000 0.499 340 A N 0.964 123.716 122.820 -0.113 0.000 2.327 340 A HA 0.515 4.835 4.320 -0.000 0.000 0.255 340 A C 1.285 178.832 177.584 -0.062 0.000 1.099 340 A CA -0.252 51.741 52.037 -0.072 0.000 0.801 340 A CB -0.130 18.832 19.000 -0.064 0.000 1.062 340 A HN 0.822 nan 8.150 nan 0.000 0.496 341 L N 0.613 121.808 121.223 -0.046 0.000 2.376 341 L HA 0.131 4.471 4.340 -0.000 0.000 0.219 341 L C 1.866 178.715 176.870 -0.035 0.000 1.133 341 L CA 2.345 57.161 54.840 -0.039 0.000 0.816 341 L CB -0.507 41.534 42.059 -0.031 0.000 0.933 341 L HN 0.723 nan 8.230 nan 0.000 0.449 342 G N -0.931 107.848 108.800 -0.036 0.000 2.939 342 G HA2 0.144 4.104 3.960 -0.000 0.000 0.210 342 G HA3 0.144 4.104 3.960 -0.000 0.000 0.210 342 G C 0.778 175.657 174.900 -0.034 0.000 1.160 342 G CA -0.314 44.768 45.100 -0.031 0.000 0.770 342 G HN 0.290 nan 8.290 nan 0.000 0.543 343 I N 1.405 121.948 120.570 -0.045 0.000 2.588 343 I HA 0.108 4.278 4.170 -0.000 0.000 0.283 343 I C 0.125 176.222 176.117 -0.033 0.000 1.119 343 I CA -0.234 61.038 61.300 -0.047 0.000 1.419 343 I CB 1.083 39.038 38.000 -0.075 0.000 1.394 343 I HN -0.010 nan 8.210 nan 0.000 0.562 344 K N 5.844 126.230 120.400 -0.023 0.000 2.326 344 K HA 0.057 4.377 4.320 -0.000 0.000 0.275 344 K C 0.942 177.538 176.600 -0.006 0.000 1.018 344 K CA -0.423 55.856 56.287 -0.013 0.000 0.962 344 K CB 0.918 33.414 32.500 -0.008 0.000 0.953 344 K HN 0.454 nan 8.250 nan 0.000 0.475 345 K N 2.634 123.034 120.400 -0.001 0.000 2.071 345 K HA -0.348 3.972 4.320 -0.000 0.000 0.217 345 K C 1.690 178.299 176.600 0.016 0.000 1.054 345 K CA 2.121 58.413 56.287 0.008 0.000 0.937 345 K CB 0.039 32.544 32.500 0.009 0.000 0.719 345 K HN 0.648 nan 8.250 nan 0.000 0.454 346 E N 0.211 120.419 120.200 0.013 0.000 2.097 346 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 346 E C 1.882 178.498 176.600 0.026 0.000 1.000 346 E CA 1.675 58.086 56.400 0.018 0.000 0.804 346 E CB 0.103 29.811 29.700 0.013 0.000 0.740 346 E HN 0.314 nan 8.360 nan 0.000 0.454 347 K N -0.116 120.296 120.400 0.019 0.000 2.097 347 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 347 K C 2.283 178.914 176.600 0.051 0.000 1.050 347 K CA 0.977 57.279 56.287 0.025 0.000 0.938 347 K CB 0.001 32.500 32.500 -0.002 0.000 0.718 347 K HN 0.060 nan 8.250 nan 0.000 0.442 348 R N 0.713 121.235 120.500 0.037 0.000 2.070 348 R HA -0.063 4.277 4.340 -0.000 0.000 0.233 348 R C 2.349 178.715 176.300 0.110 0.000 1.137 348 R CA 1.382 57.520 56.100 0.065 0.000 0.945 348 R CB -0.560 29.759 30.300 0.031 0.000 0.845 348 R HN 0.172 nan 8.270 nan 0.000 0.430 349 I N 1.046 121.659 120.570 0.072 0.000 2.335 349 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 349 I C 2.682 178.839 176.117 0.066 0.000 1.129 349 I CA 1.195 62.532 61.300 0.063 0.000 1.402 349 I CB -0.254 37.771 38.000 0.042 0.000 1.069 349 I HN 0.176 nan 8.210 nan 0.000 0.424 350 Q N 0.529 120.373 119.800 0.075 0.000 2.079 350 Q HA -0.249 4.091 4.340 -0.000 0.000 0.200 350 Q C 2.113 178.170 176.000 0.095 0.000 0.974 350 Q CA 1.783 57.627 55.803 0.069 0.000 0.840 350 Q CB -0.611 28.166 28.738 0.065 0.000 0.898 350 Q HN 0.523 nan 8.270 nan 0.000 0.430 351 Y N 0.210 120.507 120.300 -0.005 0.000 2.128 351 Y HA -0.226 4.323 4.550 -0.000 0.000 0.284 351 Y C 2.026 177.927 175.900 0.001 0.000 1.154 351 Y CA 1.993 60.087 58.100 -0.009 0.000 1.149 351 Y CB -0.734 37.720 38.460 -0.010 0.000 0.976 351 Y HN 0.191 nan 8.280 nan 0.000 0.505 352 A N -0.039 122.806 122.820 0.041 0.000 1.933 352 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 352 A C 2.244 179.788 177.584 -0.067 0.000 1.175 352 A CA 1.814 53.828 52.037 -0.038 0.000 0.628 352 A CB -0.533 18.491 19.000 0.039 0.000 0.814 352 A HN 0.513 nan 8.150 nan 0.000 0.444 353 K N -0.307 120.075 120.400 -0.028 0.000 2.057 353 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 353 K C 1.420 177.998 176.600 -0.037 0.000 1.049 353 K CA 1.447 57.723 56.287 -0.019 0.000 0.931 353 K CB -0.202 32.299 32.500 0.002 0.000 0.714 353 K HN 0.425 nan 8.250 nan 0.000 0.440 354 D N 0.925 121.281 120.400 -0.074 0.000 2.144 354 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 354 D C 1.904 178.136 176.300 -0.114 0.000 0.978 354 D CA 0.950 54.895 54.000 -0.092 0.000 0.833 354 D CB -0.110 40.621 40.800 -0.115 0.000 0.961 354 D HN 0.189 nan 8.370 nan 0.000 0.470 355 I N 0.634 121.089 120.570 -0.192 0.000 2.286 355 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 355 I C 2.229 178.357 176.117 0.020 0.000 1.115 355 I CA 0.746 61.966 61.300 -0.133 0.000 1.392 355 I CB -0.035 37.832 38.000 -0.221 0.000 1.065 355 I HN -0.034 nan 8.210 nan 0.000 0.418 356 L N -0.225 121.005 121.223 0.012 0.000 2.313 356 L HA -0.111 4.229 4.340 -0.000 0.000 0.214 356 L C 2.379 179.373 176.870 0.208 0.000 1.119 356 L CA 0.723 55.645 54.840 0.138 0.000 0.809 356 L CB -0.340 41.726 42.059 0.010 0.000 0.933 356 L HN 0.340 nan 8.230 nan 0.000 0.449 357 Q N 0.001 119.851 119.800 0.085 0.000 2.384 357 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 357 Q C 1.293 177.301 176.000 0.014 0.000 0.904 357 Q CA 0.551 56.386 55.803 0.054 0.000 0.933 357 Q CB 0.652 29.406 28.738 0.027 0.000 1.077 357 Q HN 0.460 nan 8.270 nan 0.000 0.522 358 K N -1.036 119.372 120.400 0.014 0.000 2.556 358 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 358 K C 0.968 177.579 176.600 0.019 0.000 1.423 358 K CA 0.097 56.369 56.287 -0.025 0.000 1.010 358 K CB 0.783 33.241 32.500 -0.070 0.000 1.409 358 K HN -0.079 nan 8.250 nan 0.000 0.538 359 E N 0.251 120.507 120.200 0.092 0.000 2.481 359 E HA 0.082 4.432 4.350 -0.000 0.000 0.198 359 E C -0.698 176.044 176.600 0.236 0.000 1.027 359 E CA 0.022 56.529 56.400 0.178 0.000 0.900 359 E CB 0.383 30.243 29.700 0.266 0.000 0.993 359 E HN 0.040 nan 8.360 nan 0.000 0.482 360 F N 1.598 121.568 119.950 0.033 0.000 2.375 360 F HA 0.278 4.805 4.527 -0.000 0.000 0.361 360 F C 0.430 176.245 175.800 0.025 0.000 1.117 360 F CA -1.258 56.763 58.000 0.034 0.000 1.037 360 F CB 0.343 39.351 39.000 0.013 0.000 1.192 360 F HN -0.097 nan 8.300 nan 0.000 0.452 361 L N 7.926 128.936 121.223 -0.355 0.000 3.795 361 L HA -0.222 4.118 4.340 -0.000 0.000 0.489 361 L C -1.508 175.221 176.870 -0.236 0.000 1.259 361 L CA -0.091 54.530 54.840 -0.365 0.000 0.765 361 L CB -0.801 40.819 42.059 -0.732 0.000 1.519 361 L HN 0.529 nan 8.230 nan 0.000 0.842 362 P HA -0.188 nan 4.420 nan 0.000 0.223 362 P C 1.416 178.666 177.300 -0.084 0.000 1.151 362 P CA 1.759 64.815 63.100 -0.072 0.000 0.787 362 P CB -0.154 31.546 31.700 -0.001 0.000 0.788 363 H N -0.133 118.846 119.070 -0.151 0.000 2.457 363 H HA 0.028 4.584 4.556 -0.000 0.000 0.294 363 H C 1.852 177.061 175.328 -0.198 0.000 1.064 363 H CA 0.555 56.519 56.048 -0.140 0.000 1.330 363 H CB -1.077 28.617 29.762 -0.113 0.000 1.395 363 H HN 0.142 nan 8.280 nan 0.000 0.541 364 I N 1.169 121.214 120.570 -0.876 0.000 2.141 364 I HA -0.089 4.081 4.170 -0.000 0.000 0.236 364 I C 0.401 176.224 176.117 -0.490 0.000 1.071 364 I CA 1.390 62.228 61.300 -0.770 0.000 1.345 364 I CB 0.042 37.600 38.000 -0.737 0.000 1.066 364 I HN 0.214 nan 8.210 nan 0.000 0.406 365 T N -1.588 112.721 114.554 -0.408 0.000 2.840 365 T HA 0.233 4.583 4.350 -0.000 0.000 0.317 365 T C -0.269 174.275 174.700 -0.261 0.000 1.401 365 T CA -0.577 61.276 62.100 -0.412 0.000 1.028 365 T CB 2.534 71.017 68.868 -0.641 0.000 1.317 365 T HN 0.072 nan 8.240 nan 0.000 0.495 366 Q N 0.346 120.011 119.800 -0.226 0.000 2.113 366 Q HA 0.380 4.720 4.340 -0.000 0.000 0.225 366 Q C 0.298 176.246 176.000 -0.087 0.000 0.786 366 Q CA -0.030 55.694 55.803 -0.130 0.000 0.989 366 Q CB 0.440 29.104 28.738 -0.123 0.000 1.174 366 Q HN 0.561 nan 8.270 nan 0.000 0.470 367 L N -0.117 121.042 121.223 -0.107 0.000 2.598 367 L HA 0.177 4.517 4.340 -0.000 0.000 0.202 367 L C 1.418 178.353 176.870 0.108 0.000 1.190 367 L CA -0.086 54.755 54.840 0.001 0.000 0.869 367 L CB 0.169 42.237 42.059 0.015 0.000 1.529 367 L HN 0.088 nan 8.230 nan 0.000 0.520 368 E N 0.398 120.699 120.200 0.169 0.000 2.052 368 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 368 E C 1.227 177.926 176.600 0.166 0.000 0.958 368 E CA 0.542 57.024 56.400 0.137 0.000 0.835 368 E CB -0.184 29.561 29.700 0.074 0.000 0.811 368 E HN 0.768 nan 8.360 nan 0.000 0.462 369 G N 0.724 109.588 108.800 0.106 0.000 2.991 369 G HA2 0.079 4.039 3.960 -0.000 0.000 0.262 369 G HA3 0.079 4.039 3.960 -0.000 0.000 0.262 369 G C -0.509 174.115 174.900 -0.460 0.000 0.765 369 G CA 0.143 45.160 45.100 -0.138 0.000 2.051 369 G HN 0.061 nan 8.290 nan 0.000 0.602 370 F N -0.634 119.303 119.950 -0.021 0.000 2.505 370 F HA 0.281 4.808 4.527 -0.000 0.000 0.383 370 F C 0.963 176.755 175.800 -0.014 0.000 1.509 370 F CA -0.629 57.353 58.000 -0.031 0.000 1.101 370 F CB 0.953 39.913 39.000 -0.066 0.000 1.367 370 F HN 0.189 nan 8.300 nan 0.000 0.523 371 E N -0.227 120.024 120.200 0.086 0.000 2.299 371 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 371 E C 2.282 178.928 176.600 0.077 0.000 0.998 371 E CA 1.092 57.541 56.400 0.082 0.000 0.851 371 E CB 0.132 29.860 29.700 0.048 0.000 0.795 371 E HN 0.312 nan 8.360 nan 0.000 0.492 372 S N 0.370 116.115 115.700 0.075 0.000 2.436 372 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 372 S C 1.849 176.582 174.600 0.221 0.000 1.014 372 S CA 0.348 58.624 58.200 0.128 0.000 0.950 372 S CB 0.036 63.325 63.200 0.147 0.000 0.784 372 S HN 0.098 nan 8.310 nan 0.000 0.504 373 R N 1.071 121.669 120.500 0.164 0.000 2.092 373 R HA 0.092 4.432 4.340 -0.000 0.000 0.231 373 R C 2.318 178.709 176.300 0.152 0.000 1.119 373 R CA 1.378 57.555 56.100 0.129 0.000 0.970 373 R CB -0.213 30.143 30.300 0.093 0.000 0.864 373 R HN 0.487 nan 8.270 nan 0.000 0.440 374 K N 0.063 120.533 120.400 0.116 0.000 2.243 374 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 374 K C 2.056 178.773 176.600 0.195 0.000 1.051 374 K CA 0.809 57.148 56.287 0.088 0.000 0.970 374 K CB 0.112 32.606 32.500 -0.010 0.000 0.755 374 K HN 0.083 nan 8.250 nan 0.000 0.465 375 A N 0.988 123.902 122.820 0.156 0.000 1.873 375 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 375 A C 1.903 179.677 177.584 0.317 0.000 1.186 375 A CA 1.107 53.194 52.037 0.084 0.000 0.616 375 A CB -0.709 18.213 19.000 -0.129 0.000 0.823 375 A HN 0.194 nan 8.150 nan 0.000 0.442 376 F N -1.937 118.254 119.950 0.401 0.000 2.234 376 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 376 F C 2.004 178.198 175.800 0.656 0.000 1.087 376 F CA 1.353 59.684 58.000 0.553 0.000 1.340 376 F CB -0.201 38.895 39.000 0.159 0.000 1.031 376 F HN 0.345 nan 8.300 nan 0.000 0.500 377 F N -0.184 120.115 119.950 0.582 0.000 2.259 377 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 377 F C 2.073 178.177 175.800 0.506 0.000 1.088 377 F CA 0.767 59.108 58.000 0.568 0.000 1.358 377 F CB -0.215 38.974 39.000 0.314 0.000 1.040 377 F HN -0.087 nan 8.300 nan 0.000 0.505 378 L N 0.399 121.936 121.223 0.524 0.000 2.056 378 L HA 0.066 4.406 4.340 -0.000 0.000 0.207 378 L C 2.353 179.471 176.870 0.414 0.000 1.078 378 L CA 2.316 57.378 54.840 0.370 0.000 0.749 378 L CB -1.563 40.581 42.059 0.142 0.000 0.901 378 L HN 0.122 nan 8.230 nan 0.000 0.433 379 G N -1.580 107.589 108.800 0.615 0.000 2.422 379 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.218 379 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.218 379 G C 1.565 176.769 174.900 0.506 0.000 1.146 379 G CA 0.918 46.403 45.100 0.640 0.000 0.769 379 G HN 0.558 nan 8.290 nan 0.000 0.547 380 Y N 0.934 121.489 120.300 0.424 0.000 2.224 380 Y HA -0.017 4.533 4.550 -0.000 0.000 0.289 380 Y C 2.728 178.660 175.900 0.053 0.000 1.146 380 Y CA 1.518 59.761 58.100 0.239 0.000 1.182 380 Y CB -0.138 38.331 38.460 0.015 0.000 0.983 380 Y HN 0.175 nan 8.280 nan 0.000 0.524 381 M N -0.862 118.701 119.600 -0.062 0.000 2.156 381 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 381 M C 2.098 178.350 176.300 -0.081 0.000 1.067 381 M CA 1.615 56.823 55.300 -0.153 0.000 1.131 381 M CB -0.308 32.311 32.600 0.032 0.000 1.368 381 M HN 0.233 nan 8.290 nan 0.000 0.416 382 I N 0.428 121.029 120.570 0.051 0.000 2.163 382 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 382 I C 2.170 178.273 176.117 -0.024 0.000 1.085 382 I CA 1.556 62.888 61.300 0.054 0.000 1.347 382 I CB -0.685 37.405 38.000 0.150 0.000 1.044 382 I HN 0.394 nan 8.210 nan 0.000 0.408 383 N N 0.927 119.612 118.700 -0.025 0.000 2.061 383 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 383 N C 2.072 177.502 175.510 -0.133 0.000 1.030 383 N CA 1.477 54.489 53.050 -0.064 0.000 0.856 383 N CB 0.025 38.542 38.487 0.050 0.000 1.023 383 N HN 0.080 nan 8.380 nan 0.000 0.424 384 R N 0.029 120.378 120.500 -0.252 0.000 2.075 384 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 384 R C 2.148 178.339 176.300 -0.182 0.000 1.126 384 R CA 0.789 56.724 56.100 -0.275 0.000 0.963 384 R CB -1.163 28.874 30.300 -0.439 0.000 0.858 384 R HN 0.363 nan 8.270 nan 0.000 0.435 385 L N 1.357 122.490 121.223 -0.150 0.000 1.956 385 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 385 L C 2.244 179.026 176.870 -0.148 0.000 1.073 385 L CA 1.788 56.562 54.840 -0.109 0.000 0.762 385 L CB -0.721 41.304 42.059 -0.057 0.000 0.889 385 L HN 0.088 nan 8.230 nan 0.000 0.433 386 L N -1.288 119.854 121.223 -0.134 0.000 2.079 386 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 386 L C 2.526 179.297 176.870 -0.165 0.000 1.081 386 L CA 0.766 55.511 54.840 -0.158 0.000 0.752 386 L CB -0.780 41.208 42.059 -0.118 0.000 0.896 386 L HN 0.344 nan 8.230 nan 0.000 0.433 387 L N -0.227 120.915 121.223 -0.135 0.000 2.042 387 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 387 L C 2.713 179.514 176.870 -0.114 0.000 1.076 387 L CA 1.840 56.612 54.840 -0.114 0.000 0.749 387 L CB -0.747 41.252 42.059 -0.100 0.000 0.893 387 L HN 0.465 nan 8.230 nan 0.000 0.432 388 C N -1.229 117.997 119.300 -0.123 0.000 2.466 388 C HA 0.011 4.471 4.460 -0.000 0.000 0.278 388 C C 2.975 177.863 174.990 -0.170 0.000 1.288 388 C CA 0.625 59.592 59.018 -0.085 0.000 1.722 388 C CB -1.225 26.507 27.740 -0.014 0.000 2.017 388 C HN 0.595 nan 8.230 nan 0.000 0.488 389 A N 0.233 122.808 122.820 -0.408 0.000 2.019 389 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 389 A C 2.027 179.459 177.584 -0.253 0.000 1.164 389 A CA 1.424 53.088 52.037 -0.622 0.000 0.644 389 A CB -0.641 17.953 19.000 -0.676 0.000 0.805 389 A HN 0.697 nan 8.150 nan 0.000 0.449 390 L N -0.784 120.330 121.223 -0.181 0.000 2.612 390 L HA 0.027 4.367 4.340 -0.000 0.000 0.230 390 L C -0.031 176.786 176.870 -0.088 0.000 1.140 390 L CA 0.202 54.964 54.840 -0.130 0.000 0.896 390 L CB -0.304 41.669 42.059 -0.144 0.000 1.065 390 L HN 0.374 nan 8.230 nan 0.000 0.447 391 D N 0.036 120.397 120.400 -0.066 0.000 3.012 391 D HA -0.211 4.429 4.640 -0.000 0.000 0.222 391 D C 1.188 177.470 176.300 -0.031 0.000 1.167 391 D CA 0.711 54.694 54.000 -0.028 0.000 0.854 391 D CB -0.384 40.408 40.800 -0.013 0.000 1.107 391 D HN 0.455 nan 8.370 nan 0.000 0.421 392 R N -0.215 120.256 120.500 -0.048 0.000 2.280 392 R HA 0.101 4.441 4.340 -0.000 0.000 0.195 392 R C 0.717 176.998 176.300 -0.030 0.000 0.935 392 R CA 0.420 56.495 56.100 -0.042 0.000 1.033 392 R CB 0.561 30.828 30.300 -0.056 0.000 0.964 392 R HN -0.013 nan 8.270 nan 0.000 0.489 393 K N 0.416 120.799 120.400 -0.028 0.000 2.532 393 K HA 0.247 4.567 4.320 -0.000 0.000 0.265 393 K C -1.433 175.169 176.600 0.002 0.000 0.948 393 K CA -0.662 55.614 56.287 -0.018 0.000 0.842 393 K CB 2.296 34.774 32.500 -0.036 0.000 1.392 393 K HN -0.134 nan 8.250 nan 0.000 0.436 394 D N 1.928 122.336 120.400 0.014 0.000 2.253 394 D HA 0.069 4.709 4.640 -0.000 0.000 0.249 394 D C 0.119 176.450 176.300 0.050 0.000 1.049 394 D CA -0.260 53.764 54.000 0.039 0.000 0.929 394 D CB 1.228 42.053 40.800 0.042 0.000 1.176 394 D HN 0.305 nan 8.370 nan 0.000 0.437 395 Q N 1.186 121.038 119.800 0.087 0.000 2.330 395 Q HA 0.029 4.369 4.340 -0.000 0.000 0.279 395 Q C -0.401 175.685 176.000 0.143 0.000 1.024 395 Q CA -0.154 55.722 55.803 0.123 0.000 0.900 395 Q CB 0.661 29.517 28.738 0.197 0.000 1.221 395 Q HN 0.252 nan 8.270 nan 0.000 0.396 396 D N 2.457 122.922 120.400 0.108 0.000 2.563 396 D HA -0.110 4.530 4.640 -0.000 0.000 0.229 396 D C -0.443 176.010 176.300 0.255 0.000 1.159 396 D CA 0.795 54.874 54.000 0.131 0.000 0.869 396 D CB 0.516 41.338 40.800 0.035 0.000 1.203 396 D HN 0.576 nan 8.370 nan 0.000 0.478 397 D N 1.556 122.068 120.400 0.186 0.000 2.352 397 D HA 0.018 4.658 4.640 -0.000 0.000 0.245 397 D C 0.818 177.226 176.300 0.181 0.000 1.224 397 D CA -0.219 53.896 54.000 0.192 0.000 0.879 397 D CB 0.384 41.319 40.800 0.225 0.000 1.057 397 D HN 0.226 nan 8.370 nan 0.000 0.491 398 R N 2.265 122.852 120.500 0.145 0.000 2.339 398 R HA -0.022 4.318 4.340 -0.000 0.000 0.199 398 R C 0.161 176.492 176.300 0.052 0.000 1.018 398 R CA 0.499 56.650 56.100 0.085 0.000 1.036 398 R CB 0.490 30.750 30.300 -0.067 0.000 0.899 398 R HN 0.368 nan 8.270 nan 0.000 0.473 399 D N -0.819 119.611 120.400 0.051 0.000 2.395 399 D HA -0.022 4.618 4.640 -0.000 0.000 0.213 399 D C -0.085 175.960 176.300 -0.424 0.000 1.110 399 D CA 0.091 54.068 54.000 -0.039 0.000 0.835 399 D CB 0.174 41.077 40.800 0.170 0.000 0.965 399 D HN 0.165 nan 8.370 nan 0.000 0.505 400 H N 0.730 119.564 119.070 -0.395 0.000 2.975 400 H HA -0.069 4.486 4.556 -0.000 0.000 0.303 400 H C 0.574 175.779 175.328 -0.205 0.000 1.023 400 H CA 0.074 55.857 56.048 -0.442 0.000 1.473 400 H CB 0.381 30.032 29.762 -0.185 0.000 1.498 400 H HN -0.037 nan 8.280 nan 0.000 0.549 401 F N 4.103 123.800 119.950 -0.421 0.000 2.451 401 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 401 F C 2.159 177.958 175.800 -0.002 0.000 1.101 401 F CA 1.168 59.065 58.000 -0.173 0.000 1.436 401 F CB -0.219 38.673 39.000 -0.180 0.000 1.074 401 F HN 0.704 nan 8.300 nan 0.000 0.553 402 G N -0.433 108.530 108.800 0.271 0.000 2.422 402 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 402 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 402 G C 1.487 176.297 174.900 -0.150 0.000 1.140 402 G CA 0.289 45.433 45.100 0.073 0.000 0.775 402 G HN 0.306 nan 8.290 nan 0.000 0.545 403 K N 0.132 120.478 120.400 -0.090 0.000 2.500 403 K HA 0.207 4.527 4.320 -0.000 0.000 0.206 403 K C 0.002 176.520 176.600 -0.137 0.000 1.034 403 K CA -0.089 56.111 56.287 -0.145 0.000 1.179 403 K CB 0.442 32.889 32.500 -0.090 0.000 0.884 403 K HN -0.008 nan 8.250 nan 0.000 0.493 404 K N 0.958 121.219 120.400 -0.231 0.000 2.238 404 K HA 0.456 4.776 4.320 -0.000 0.000 0.239 404 K C -0.166 176.237 176.600 -0.329 0.000 0.987 404 K CA -0.759 55.371 56.287 -0.262 0.000 0.857 404 K CB 1.509 33.819 32.500 -0.318 0.000 1.154 404 K HN -0.100 nan 8.250 nan 0.000 0.439 405 R N 1.125 121.487 120.500 -0.230 0.000 2.698 405 R HA 0.512 4.852 4.340 -0.000 0.000 0.275 405 R C -0.722 175.494 176.300 -0.140 0.000 1.001 405 R CA -0.771 55.216 56.100 -0.188 0.000 0.896 405 R CB 1.289 31.525 30.300 -0.107 0.000 1.218 405 R HN 0.478 nan 8.270 nan 0.000 0.462 406 L N 2.377 123.529 121.223 -0.119 0.000 2.305 406 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 406 L C -0.443 176.390 176.870 -0.060 0.000 1.013 406 L CA -0.831 53.968 54.840 -0.069 0.000 0.819 406 L CB 1.842 43.876 42.059 -0.042 0.000 1.227 406 L HN 0.315 nan 8.230 nan 0.000 0.417 407 D N 4.713 125.074 120.400 -0.066 0.000 2.280 407 D HA 0.527 5.167 4.640 -0.000 0.000 0.243 407 D C -0.010 176.233 176.300 -0.094 0.000 1.129 407 D CA -0.081 53.876 54.000 -0.072 0.000 0.848 407 D CB 2.350 43.102 40.800 -0.080 0.000 1.107 407 D HN 0.259 nan 8.370 nan 0.000 0.471 408 L N 0.927 122.109 121.223 -0.069 0.000 2.491 408 L HA 0.484 4.824 4.340 -0.000 0.000 0.264 408 L C 1.991 178.827 176.870 -0.056 0.000 1.053 408 L CA -0.899 53.903 54.840 -0.063 0.000 0.858 408 L CB 0.310 42.355 42.059 -0.023 0.000 1.519 408 L HN 0.334 nan 8.230 nan 0.000 0.508 409 A N 0.545 123.368 122.820 0.006 0.000 1.882 409 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 409 A C 2.039 179.630 177.584 0.012 0.000 1.253 409 A CA 2.716 54.807 52.037 0.090 0.000 0.664 409 A CB -1.830 17.343 19.000 0.288 0.000 0.838 409 A HN 0.972 nan 8.150 nan 0.000 0.460 410 G N -0.235 108.579 108.800 0.022 0.000 2.679 410 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 410 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 410 G C -0.145 174.661 174.900 -0.157 0.000 1.267 410 G CA 1.467 46.494 45.100 -0.121 0.000 0.799 410 G HN 0.499 nan 8.290 nan 0.000 0.606 411 P HA -0.112 nan 4.420 nan 0.000 0.216 411 P C 2.158 179.462 177.300 0.006 0.000 1.157 411 P CA 1.014 64.119 63.100 0.008 0.000 0.880 411 P CB -0.196 31.506 31.700 0.002 0.000 0.791 412 L N -1.676 119.524 121.223 -0.040 0.000 2.012 412 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 412 L C 2.474 179.509 176.870 0.274 0.000 1.073 412 L CA 1.350 56.202 54.840 0.019 0.000 0.748 412 L CB -0.955 40.913 42.059 -0.318 0.000 0.891 412 L HN -0.040 nan 8.230 nan 0.000 0.431 413 L N -0.768 120.463 121.223 0.013 0.000 2.456 413 L HA -0.131 4.209 4.340 -0.000 0.000 0.224 413 L C 2.534 179.312 176.870 -0.154 0.000 1.148 413 L CA 0.536 55.296 54.840 -0.133 0.000 0.825 413 L CB -0.331 41.390 42.059 -0.563 0.000 0.937 413 L HN 0.248 nan 8.230 nan 0.000 0.450 414 A N -0.779 122.021 122.820 -0.035 0.000 1.903 414 A HA -0.144 4.176 4.320 -0.000 0.000 0.213 414 A C 2.133 179.889 177.584 0.287 0.000 1.185 414 A CA 0.627 52.842 52.037 0.296 0.000 0.628 414 A CB -0.195 18.980 19.000 0.292 0.000 0.830 414 A HN 0.393 nan 8.150 nan 0.000 0.446 415 Q N -0.070 119.863 119.800 0.222 0.000 2.096 415 Q HA -0.158 4.181 4.340 -0.000 0.000 0.204 415 Q C 2.061 178.161 176.000 0.166 0.000 0.982 415 Q CA 1.604 57.524 55.803 0.196 0.000 0.850 415 Q CB -0.417 28.448 28.738 0.213 0.000 0.901 415 Q HN 0.651 nan 8.270 nan 0.000 0.422 416 L N -0.528 120.788 121.223 0.154 0.000 1.994 416 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 416 L C 2.356 179.304 176.870 0.130 0.000 1.071 416 L CA 1.155 56.021 54.840 0.042 0.000 0.745 416 L CB -0.492 41.514 42.059 -0.089 0.000 0.892 416 L HN 0.190 nan 8.230 nan 0.000 0.431 417 F N 0.921 120.930 119.950 0.097 0.000 2.161 417 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 417 F C 2.462 178.334 175.800 0.120 0.000 1.089 417 F CA 1.623 59.702 58.000 0.133 0.000 1.282 417 F CB -0.077 39.074 39.000 0.252 0.000 1.010 417 F HN -0.087 nan 8.300 nan 0.000 0.485 418 K N -0.606 119.967 120.400 0.289 0.000 1.984 418 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 418 K C 1.960 178.605 176.600 0.076 0.000 1.046 418 K CA 1.990 58.391 56.287 0.190 0.000 0.934 418 K CB -0.810 31.805 32.500 0.192 0.000 0.717 418 K HN 0.162 nan 8.250 nan 0.000 0.438 419 T N 2.111 116.698 114.554 0.055 0.000 2.778 419 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 419 T C 1.757 176.428 174.700 -0.048 0.000 1.050 419 T CA 1.089 63.191 62.100 0.004 0.000 1.137 419 T CB -0.096 68.769 68.868 -0.005 0.000 0.860 419 T HN 0.130 nan 8.240 nan 0.000 0.468 420 L N -0.915 120.256 121.223 -0.086 0.000 2.249 420 L HA 0.182 4.522 4.340 -0.000 0.000 0.207 420 L C 2.123 178.873 176.870 -0.199 0.000 1.090 420 L CA 0.564 55.316 54.840 -0.147 0.000 0.802 420 L CB -0.389 41.569 42.059 -0.167 0.000 0.947 420 L HN 0.179 nan 8.230 nan 0.000 0.453 421 F N 1.490 121.178 119.950 -0.438 0.000 2.293 421 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 421 F C 2.394 178.028 175.800 -0.276 0.000 1.086 421 F CA 1.330 59.049 58.000 -0.468 0.000 1.375 421 F CB 0.056 38.725 39.000 -0.552 0.000 1.045 421 F HN -0.141 nan 8.300 nan 0.000 0.516 422 K N 0.581 120.880 120.400 -0.169 0.000 2.228 422 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 422 K C 1.931 178.426 176.600 -0.176 0.000 1.051 422 K CA 1.193 57.377 56.287 -0.172 0.000 0.960 422 K CB -0.117 32.351 32.500 -0.053 0.000 0.743 422 K HN 0.132 nan 8.250 nan 0.000 0.458 423 K N -0.137 120.170 120.400 -0.155 0.000 2.116 423 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 423 K C 1.947 178.455 176.600 -0.152 0.000 1.052 423 K CA 1.008 57.221 56.287 -0.124 0.000 0.952 423 K CB -0.063 32.375 32.500 -0.103 0.000 0.729 423 K HN 0.136 nan 8.250 nan 0.000 0.446 424 L N 0.791 121.876 121.223 -0.230 0.000 2.156 424 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 424 L C 2.022 178.739 176.870 -0.254 0.000 1.095 424 L CA 1.273 55.968 54.840 -0.241 0.000 0.770 424 L CB -0.157 41.719 42.059 -0.304 0.000 0.914 424 L HN 0.059 nan 8.230 nan 0.000 0.439 425 T N -0.253 114.081 114.554 -0.367 0.000 2.821 425 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 425 T C 1.823 176.481 174.700 -0.071 0.000 1.046 425 T CA 1.381 63.313 62.100 -0.279 0.000 1.139 425 T CB -0.008 68.630 68.868 -0.382 0.000 0.871 425 T HN 0.341 nan 8.240 nan 0.000 0.454 426 K N 0.828 121.187 120.400 -0.069 0.000 2.148 426 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 426 K C 1.621 178.259 176.600 0.063 0.000 1.050 426 K CA 1.014 57.313 56.287 0.021 0.000 0.942 426 K CB 0.009 32.504 32.500 -0.008 0.000 0.724 426 K HN 0.250 nan 8.250 nan 0.000 0.446 427 D N 0.506 120.910 120.400 0.006 0.000 2.363 427 D HA -0.017 4.623 4.640 -0.000 0.000 0.226 427 D C 1.486 177.815 176.300 0.048 0.000 1.020 427 D CA 0.834 54.841 54.000 0.013 0.000 0.892 427 D CB 0.267 41.044 40.800 -0.038 0.000 0.900 427 D HN 0.277 nan 8.370 nan 0.000 0.531 428 I N -0.976 119.647 120.570 0.088 0.000 3.616 428 I HA -0.051 4.119 4.170 -0.000 0.000 0.296 428 I C 1.731 177.973 176.117 0.208 0.000 1.226 428 I CA -0.032 61.351 61.300 0.139 0.000 1.394 428 I CB 0.179 38.261 38.000 0.138 0.000 1.171 428 I HN -0.185 nan 8.210 nan 0.000 0.442 429 F N 2.469 122.447 119.950 0.047 0.000 2.325 429 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 429 F C 2.408 178.234 175.800 0.044 0.000 1.090 429 F CA 1.369 59.392 58.000 0.040 0.000 1.392 429 F CB -0.162 38.849 39.000 0.018 0.000 1.053 429 F HN -0.155 nan 8.300 nan 0.000 0.521 430 R N -1.728 118.838 120.500 0.109 0.000 2.193 430 R HA -0.147 4.193 4.340 -0.000 0.000 0.213 430 R C 1.096 177.413 176.300 0.027 0.000 1.055 430 R CA 0.756 56.876 56.100 0.033 0.000 0.995 430 R CB -0.480 29.867 30.300 0.079 0.000 0.893 430 R HN 0.303 nan 8.270 nan 0.000 0.459 431 Y N 0.271 120.533 120.300 -0.063 0.000 2.496 431 Y HA 0.140 4.690 4.550 -0.000 0.000 0.313 431 Y C 1.095 176.938 175.900 -0.095 0.000 1.184 431 Y CA 0.300 58.364 58.100 -0.061 0.000 1.275 431 Y CB 0.088 38.530 38.460 -0.031 0.000 1.103 431 Y HN -0.041 nan 8.280 nan 0.000 0.513 432 M N -2.636 116.832 119.600 -0.219 0.000 2.049 432 M HA 0.010 4.490 4.480 -0.000 0.000 0.223 432 M C 1.656 177.764 176.300 -0.319 0.000 1.356 432 M CA 0.345 55.467 55.300 -0.298 0.000 1.017 432 M CB 0.394 32.815 32.600 -0.299 0.000 1.639 432 M HN 0.015 nan 8.290 nan 0.000 0.583 433 Q N 1.124 120.697 119.800 -0.378 0.000 2.119 433 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 433 Q C 1.655 177.547 176.000 -0.180 0.000 0.972 433 Q CA 1.334 56.961 55.803 -0.293 0.000 0.847 433 Q CB 0.015 28.585 28.738 -0.280 0.000 0.903 433 Q HN 0.438 nan 8.270 nan 0.000 0.433 434 R N -0.104 120.300 120.500 -0.160 0.000 2.297 434 R HA 0.094 4.434 4.340 -0.000 0.000 0.197 434 R C 0.225 176.433 176.300 -0.153 0.000 0.943 434 R CA 0.242 56.272 56.100 -0.117 0.000 1.038 434 R CB 0.377 30.634 30.300 -0.071 0.000 0.957 434 R HN 0.011 nan 8.270 nan 0.000 0.484 435 T N 0.296 114.715 114.554 -0.226 0.000 2.817 435 T HA 0.176 4.526 4.350 -0.000 0.000 0.293 435 T C 1.063 175.654 174.700 -0.182 0.000 0.964 435 T CA -0.271 61.667 62.100 -0.269 0.000 1.085 435 T CB 2.173 70.784 68.868 -0.428 0.000 0.921 435 T HN -0.169 nan 8.240 nan 0.000 0.502 436 V N 1.950 121.777 119.914 -0.145 0.000 3.219 436 V HA 0.146 4.266 4.120 -0.000 0.000 0.240 436 V C 1.168 177.208 176.094 -0.090 0.000 1.222 436 V CA 0.364 62.603 62.300 -0.102 0.000 1.181 436 V CB -0.032 31.747 31.823 -0.075 0.000 0.941 436 V HN 0.746 nan 8.190 nan 0.000 0.471 447 A N 2.427 125.081 122.820 -0.276 0.000 2.816 447 A HA -0.220 4.099 4.320 -0.000 0.000 0.270 447 A C 0.048 177.417 177.584 -0.359 0.000 1.413 447 A CA 1.581 53.316 52.037 -0.504 0.000 0.866 447 A CB -2.028 16.166 19.000 -1.342 0.000 1.032 447 A HN 0.534 nan 8.150 nan 0.000 0.642 448 I N 0.276 120.729 120.570 -0.196 0.000 2.389 448 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 448 I C 0.366 176.420 176.117 -0.105 0.000 0.999 448 I CA -0.678 60.543 61.300 -0.131 0.000 1.129 448 I CB 1.523 39.471 38.000 -0.086 0.000 1.288 448 I HN 0.304 nan 8.210 nan 0.000 0.444 449 N N 5.343 123.984 118.700 -0.099 0.000 2.605 449 N HA 0.172 4.912 4.740 -0.000 0.000 0.258 449 N C 0.834 176.284 175.510 -0.099 0.000 1.156 449 N CA 0.052 53.054 53.050 -0.081 0.000 1.008 449 N CB 1.320 39.763 38.487 -0.072 0.000 1.354 449 N HN 0.812 nan 8.380 nan 0.000 0.509 450 A N 3.911 126.666 122.820 -0.108 0.000 1.940 450 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 450 A C 2.060 179.569 177.584 -0.126 0.000 1.176 450 A CA 1.190 53.111 52.037 -0.192 0.000 0.631 450 A CB -0.258 18.585 19.000 -0.261 0.000 0.814 450 A HN 0.672 nan 8.150 nan 0.000 0.446 451 K N -0.562 119.809 120.400 -0.049 0.000 2.360 451 K HA -0.112 4.208 4.320 -0.000 0.000 0.201 451 K C 1.672 178.243 176.600 -0.047 0.000 1.046 451 K CA 1.434 57.708 56.287 -0.022 0.000 0.945 451 K CB -0.277 32.224 32.500 0.001 0.000 0.750 451 K HN 0.494 nan 8.250 nan 0.000 0.464 452 T N 1.222 115.732 114.554 -0.073 0.000 2.737 452 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 452 T C 1.681 176.330 174.700 -0.085 0.000 1.040 452 T CA 1.479 63.528 62.100 -0.084 0.000 1.142 452 T CB -0.051 68.754 68.868 -0.104 0.000 0.861 452 T HN 0.243 nan 8.240 nan 0.000 0.456 453 I N 0.178 120.695 120.570 -0.089 0.000 2.556 453 I HA -0.045 4.125 4.170 -0.000 0.000 0.251 453 I C 2.674 178.782 176.117 -0.014 0.000 1.105 453 I CA 0.675 61.934 61.300 -0.069 0.000 1.436 453 I CB -0.737 37.209 38.000 -0.090 0.000 1.139 453 I HN 0.134 nan 8.210 nan 0.000 0.438 454 T N 1.111 115.660 114.554 -0.010 0.000 2.570 454 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 454 T C 1.981 176.706 174.700 0.042 0.000 1.071 454 T CA 2.457 64.579 62.100 0.037 0.000 1.172 454 T CB -0.494 68.410 68.868 0.060 0.000 0.864 454 T HN 0.505 nan 8.240 nan 0.000 0.421 455 S N 0.928 116.645 115.700 0.028 0.000 2.522 455 S HA 0.119 4.589 4.470 -0.000 0.000 0.227 455 S C 2.262 176.890 174.600 0.046 0.000 0.986 455 S CA 0.895 59.119 58.200 0.039 0.000 0.929 455 S CB -0.635 62.572 63.200 0.013 0.000 0.769 455 S HN 0.548 nan 8.310 nan 0.000 0.529 456 G N 1.933 110.740 108.800 0.011 0.000 2.403 456 G HA2 0.056 4.016 3.960 -0.000 0.000 0.216 456 G HA3 0.056 4.016 3.960 -0.000 0.000 0.216 456 G C 1.364 176.267 174.900 0.004 0.000 1.154 456 G CA 0.745 45.848 45.100 0.006 0.000 0.784 456 G HN 0.500 nan 8.290 nan 0.000 0.538 457 L N -0.103 121.119 121.223 -0.003 0.000 2.022 457 L HA 0.087 4.427 4.340 -0.000 0.000 0.204 457 L C 2.692 179.525 176.870 -0.062 0.000 1.076 457 L CA 1.331 56.145 54.840 -0.043 0.000 0.749 457 L CB -0.530 41.544 42.059 0.025 0.000 0.903 457 L HN 0.137 nan 8.230 nan 0.000 0.439 458 K N -0.315 120.085 120.400 0.001 0.000 2.077 458 K HA -0.324 3.996 4.320 -0.000 0.000 0.213 458 K C 2.307 178.918 176.600 0.019 0.000 1.051 458 K CA 2.280 58.577 56.287 0.016 0.000 0.929 458 K CB -0.428 32.108 32.500 0.060 0.000 0.715 458 K HN 0.152 nan 8.250 nan 0.000 0.451 459 Y N 0.656 120.912 120.300 -0.074 0.000 2.030 459 Y HA -0.279 4.271 4.550 -0.000 0.000 0.274 459 Y C 2.088 177.917 175.900 -0.119 0.000 1.153 459 Y CA 2.004 60.056 58.100 -0.079 0.000 1.115 459 Y CB -0.960 37.448 38.460 -0.086 0.000 0.969 459 Y HN 0.168 nan 8.280 nan 0.000 0.488 460 A N -0.232 122.306 122.820 -0.470 0.000 1.978 460 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 460 A C 2.167 179.483 177.584 -0.447 0.000 1.170 460 A CA 1.774 53.390 52.037 -0.701 0.000 0.636 460 A CB -1.141 17.295 19.000 -0.939 0.000 0.810 460 A HN 0.538 nan 8.150 nan 0.000 0.448 461 L N -1.157 119.911 121.223 -0.258 0.000 2.313 461 L HA 0.089 4.429 4.340 -0.000 0.000 0.214 461 L C 2.575 179.438 176.870 -0.012 0.000 1.119 461 L CA 1.498 56.316 54.840 -0.036 0.000 0.809 461 L CB -0.363 41.629 42.059 -0.112 0.000 0.933 461 L HN 0.354 nan 8.230 nan 0.000 0.449 462 A N -2.193 120.582 122.820 -0.074 0.000 1.984 462 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 462 A C 2.086 179.638 177.584 -0.052 0.000 1.173 462 A CA 1.372 53.389 52.037 -0.033 0.000 0.673 462 A CB -0.519 18.477 19.000 -0.007 0.000 0.830 462 A HN 0.416 nan 8.150 nan 0.000 0.453 463 T N -1.453 113.009 114.554 -0.153 0.000 2.739 463 T HA 0.391 4.741 4.350 -0.000 0.000 0.246 463 T C 1.525 176.208 174.700 -0.030 0.000 1.058 463 T CA 1.256 63.272 62.100 -0.140 0.000 1.184 463 T CB -0.364 68.304 68.868 -0.333 0.000 0.887 463 T HN 1.306 nan 8.240 nan 0.000 0.408 464 G N 1.273 110.088 108.800 0.025 0.000 2.200 464 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.145 464 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.145 464 G C -0.355 174.689 174.900 0.239 0.000 1.021 464 G CA -0.702 44.501 45.100 0.172 0.000 0.720 464 G HN 0.502 nan 8.290 nan 0.000 0.494 465 N N 0.069 118.832 118.700 0.105 0.000 2.434 465 N HA 0.456 5.196 4.740 -0.000 0.000 0.272 465 N C 0.223 175.794 175.510 0.102 0.000 1.040 465 N CA -0.754 52.343 53.050 0.078 0.000 0.956 465 N CB 1.224 39.663 38.487 -0.081 0.000 1.108 465 N HN 0.303 nan 8.380 nan 0.000 0.481 466 W N 1.467 122.740 121.300 -0.046 0.000 3.792 466 W HA 0.244 4.904 4.660 0.000 0.000 0.217 466 W C 0.520 177.036 176.519 -0.005 0.000 1.098 466 W CA 0.108 57.437 57.345 -0.027 0.000 1.657 466 W CB 1.152 30.594 29.460 -0.029 0.000 0.773 466 W HN 0.656 nan 8.180 nan 0.000 0.836 478 G N -0.424 108.406 108.800 0.051 0.000 2.160 478 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.251 478 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.251 478 G C 0.951 175.851 174.900 0.000 0.000 1.008 478 G CA 0.942 46.061 45.100 0.031 0.000 0.724 478 G HN 1.302 nan 8.290 nan 0.000 0.514 479 V N -0.360 119.543 119.914 -0.020 0.000 2.594 479 V HA 0.077 4.197 4.120 -0.000 0.000 0.253 479 V C 1.678 177.675 176.094 -0.161 0.000 1.069 479 V CA 2.272 64.466 62.300 -0.177 0.000 1.082 479 V CB 0.200 31.762 31.823 -0.435 0.000 0.680 479 V HN 0.785 nan 8.190 nan 0.000 0.469 480 S N -0.744 114.943 115.700 -0.021 0.000 2.500 480 S HA 0.635 5.105 4.470 -0.000 0.000 0.301 480 S C -0.746 173.864 174.600 0.016 0.000 1.092 480 S CA -0.677 57.527 58.200 0.007 0.000 1.030 480 S CB 1.431 64.700 63.200 0.115 0.000 1.031 480 S HN 0.507 nan 8.310 nan 0.000 0.483 481 Q N 1.741 121.532 119.800 -0.015 0.000 2.544 481 Q HA 0.535 4.875 4.340 -0.000 0.000 0.291 481 Q C -1.233 174.747 176.000 -0.033 0.000 1.068 481 Q CA -1.198 54.608 55.803 0.005 0.000 0.785 481 Q CB 1.681 30.464 28.738 0.076 0.000 1.481 481 Q HN 0.496 nan 8.270 nan 0.000 0.430 482 V N 2.040 121.953 119.914 -0.001 0.000 2.470 482 V HA 0.030 4.150 4.120 -0.000 0.000 0.276 482 V C 0.057 176.104 176.094 -0.078 0.000 1.040 482 V CA -0.242 62.034 62.300 -0.040 0.000 1.008 482 V CB 0.256 32.061 31.823 -0.030 0.000 0.990 482 V HN 0.557 nan 8.190 nan 0.000 0.477 483 L N 6.108 127.215 121.223 -0.193 0.000 2.578 483 L HA 0.081 4.421 4.340 -0.000 0.000 0.279 483 L C 0.481 177.230 176.870 -0.203 0.000 1.227 483 L CA 0.718 55.388 54.840 -0.284 0.000 0.900 483 L CB -0.078 41.700 42.059 -0.467 0.000 1.144 483 L HN 0.660 nan 8.230 nan 0.000 0.496 484 N N 3.127 121.806 118.700 -0.035 0.000 2.508 484 N HA 0.278 5.018 4.740 -0.000 0.000 0.264 484 N C 0.106 175.335 175.510 -0.469 0.000 1.216 484 N CA 0.064 52.869 53.050 -0.408 0.000 0.943 484 N CB 0.655 38.914 38.487 -0.380 0.000 1.113 484 N HN 0.459 nan 8.380 nan 0.000 0.447 485 R N 0.923 121.012 120.500 -0.686 0.000 2.534 485 R HA 0.240 4.580 4.340 -0.000 0.000 0.438 485 R C 0.267 176.291 176.300 -0.461 0.000 0.913 485 R CA -0.136 55.655 56.100 -0.515 0.000 1.130 485 R CB -0.431 29.495 30.300 -0.623 0.000 1.611 485 R HN 0.673 nan 8.270 nan 0.000 0.571 486 Y N -1.243 118.957 120.300 -0.167 0.000 2.089 486 Y HA -0.035 4.515 4.550 -0.000 0.000 0.282 486 Y C 0.866 176.798 175.900 0.053 0.000 1.139 486 Y CA 0.848 58.893 58.100 -0.092 0.000 1.123 486 Y CB 0.298 38.721 38.460 -0.062 0.000 0.980 486 Y HN -0.158 nan 8.280 nan 0.000 0.493 487 T N -2.078 112.628 114.554 0.253 0.000 2.903 487 T HA 0.124 4.474 4.350 -0.000 0.000 0.299 487 T C -0.172 174.660 174.700 0.219 0.000 1.093 487 T CA -0.737 61.514 62.100 0.253 0.000 1.002 487 T CB 1.573 70.569 68.868 0.214 0.000 1.127 487 T HN 0.090 nan 8.240 nan 0.000 0.488 488 Y N 2.623 122.987 120.300 0.106 0.000 2.081 488 Y HA -0.231 4.319 4.550 -0.000 0.000 0.280 488 Y C 2.700 178.632 175.900 0.053 0.000 1.163 488 Y CA 2.730 60.861 58.100 0.052 0.000 1.135 488 Y CB -0.459 37.974 38.460 -0.045 0.000 0.970 488 Y HN 0.689 nan 8.280 nan 0.000 0.498 489 S N -1.027 114.743 115.700 0.116 0.000 2.419 489 S HA -0.199 4.271 4.470 -0.000 0.000 0.233 489 S C 2.160 176.745 174.600 -0.026 0.000 1.016 489 S CA 1.148 59.372 58.200 0.040 0.000 0.974 489 S CB -1.151 62.167 63.200 0.198 0.000 0.786 489 S HN 0.604 nan 8.310 nan 0.000 0.492 490 S N 1.207 116.917 115.700 0.016 0.000 2.428 490 S HA -0.082 4.388 4.470 -0.000 0.000 0.230 490 S C 1.783 176.340 174.600 -0.070 0.000 1.014 490 S CA 1.299 59.503 58.200 0.007 0.000 0.957 490 S CB -1.213 62.045 63.200 0.097 0.000 0.784 490 S HN 0.545 nan 8.310 nan 0.000 0.499 491 T N 2.758 117.228 114.554 -0.140 0.000 2.770 491 T HA 0.203 4.553 4.350 -0.000 0.000 0.263 491 T C 1.719 176.308 174.700 -0.185 0.000 1.039 491 T CA 1.177 63.166 62.100 -0.186 0.000 1.142 491 T CB -0.462 68.255 68.868 -0.252 0.000 0.868 491 T HN 0.282 nan 8.240 nan 0.000 0.435 492 L N 1.006 122.067 121.223 -0.270 0.000 1.990 492 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 492 L C 2.888 179.700 176.870 -0.097 0.000 1.072 492 L CA 1.514 56.228 54.840 -0.210 0.000 0.755 492 L CB -0.726 41.196 42.059 -0.227 0.000 0.889 492 L HN 0.309 nan 8.230 nan 0.000 0.432 493 S N -1.231 114.426 115.700 -0.071 0.000 2.374 493 S HA -0.329 4.141 4.470 -0.000 0.000 0.227 493 S C 1.994 176.603 174.600 0.016 0.000 1.037 493 S CA 1.828 60.008 58.200 -0.033 0.000 1.024 493 S CB -0.452 62.727 63.200 -0.035 0.000 0.861 493 S HN 0.552 nan 8.310 nan 0.000 0.456 494 H N -0.315 118.693 119.070 -0.102 0.000 2.389 494 H HA 0.065 4.621 4.556 -0.000 0.000 0.299 494 H C 1.898 177.171 175.328 -0.092 0.000 1.081 494 H CA 1.343 57.331 56.048 -0.100 0.000 1.345 494 H CB -0.043 29.636 29.762 -0.138 0.000 1.393 494 H HN 0.350 nan 8.280 nan 0.000 0.520 495 L N 0.634 121.856 121.223 -0.002 0.000 2.456 495 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 495 L C 1.226 178.074 176.870 -0.036 0.000 1.148 495 L CA 0.886 55.690 54.840 -0.060 0.000 0.825 495 L CB 0.123 42.143 42.059 -0.065 0.000 0.937 495 L HN 0.305 nan 8.230 nan 0.000 0.450 496 R N -0.636 119.854 120.500 -0.016 0.000 2.662 496 R HA 0.253 4.593 4.340 -0.000 0.000 0.396 496 R C 0.302 176.596 176.300 -0.010 0.000 1.096 496 R CA -0.368 55.720 56.100 -0.019 0.000 1.081 496 R CB 0.163 30.449 30.300 -0.024 0.000 1.382 496 R HN 0.093 nan 8.270 nan 0.000 0.580 497 R N 0.954 121.462 120.500 0.013 0.000 2.637 497 R HA 0.253 4.593 4.340 -0.000 0.000 0.269 497 R C -0.695 175.605 176.300 0.001 0.000 1.089 497 R CA 0.446 56.558 56.100 0.019 0.000 1.177 497 R CB 1.010 31.361 30.300 0.086 0.000 1.091 497 R HN -0.107 nan 8.270 nan 0.000 0.540 498 T N 1.534 116.085 114.554 -0.005 0.000 2.916 498 T HA 0.349 4.699 4.350 -0.000 0.000 0.305 498 T C -1.579 173.117 174.700 -0.006 0.000 1.119 498 T CA -0.755 61.342 62.100 -0.004 0.000 1.008 498 T CB 1.369 70.241 68.868 0.008 0.000 1.129 498 T HN 0.714 nan 8.240 nan 0.000 0.480 499 N N 0.337 119.034 118.700 -0.005 0.000 2.235 499 N HA 0.554 5.294 4.740 -0.000 0.000 0.293 499 N C -1.633 173.880 175.510 0.005 0.000 1.083 499 N CA -0.463 52.584 53.050 -0.005 0.000 0.801 499 N CB 1.937 40.415 38.487 -0.016 0.000 1.559 499 N HN 0.403 nan 8.380 nan 0.000 0.472 500 T N 3.829 118.390 114.554 0.012 0.000 2.864 500 T HA 0.437 4.787 4.350 -0.000 0.000 0.310 500 T C -2.653 172.055 174.700 0.014 0.000 1.040 500 T CA -0.926 61.187 62.100 0.023 0.000 0.977 500 T CB 1.311 70.204 68.868 0.042 0.000 0.976 500 T HN 0.467 nan 8.240 nan 0.000 0.459 501 P HA 0.319 nan 4.420 nan 0.000 0.269 501 P C 0.623 177.929 177.300 0.011 0.000 1.209 501 P CA -0.193 62.912 63.100 0.008 0.000 0.776 501 P CB 0.700 32.404 31.700 0.007 0.000 0.876 510 K N 1.130 121.542 120.400 0.020 0.000 3.163 510 K HA 0.269 4.589 4.320 -0.000 0.000 0.186 510 K C -2.152 174.485 176.600 0.061 0.000 1.111 510 K CA -1.273 55.035 56.287 0.034 0.000 0.918 510 K CB 1.712 34.232 32.500 0.033 0.000 1.059 510 K HN 0.307 nan 8.250 nan 0.000 0.558 511 P HA -0.210 nan 4.420 nan 0.000 0.215 511 P C 0.691 178.041 177.300 0.085 0.000 1.153 511 P CA 1.221 64.367 63.100 0.078 0.000 0.853 511 P CB 0.285 32.017 31.700 0.054 0.000 0.788 512 R N -1.087 119.445 120.500 0.054 0.000 2.237 512 R HA 0.002 4.342 4.340 -0.000 0.000 0.219 512 R C 1.312 177.641 176.300 0.048 0.000 1.080 512 R CA 0.284 56.407 56.100 0.040 0.000 0.995 512 R CB -0.566 29.747 30.300 0.022 0.000 0.875 512 R HN 0.259 nan 8.270 nan 0.000 0.462 513 Q N 0.954 120.793 119.800 0.066 0.000 2.392 513 Q HA 0.073 4.413 4.340 -0.000 0.000 0.262 513 Q C -0.847 175.226 176.000 0.122 0.000 1.003 513 Q CA -0.005 55.837 55.803 0.065 0.000 0.888 513 Q CB 0.715 29.481 28.738 0.046 0.000 1.260 513 Q HN 0.011 nan 8.270 nan 0.000 0.435 514 L N 3.750 125.032 121.223 0.099 0.000 2.295 514 L HA 0.245 4.585 4.340 -0.000 0.000 0.288 514 L C -0.947 176.029 176.870 0.177 0.000 1.079 514 L CA 0.079 55.030 54.840 0.185 0.000 0.830 514 L CB -0.124 41.982 42.059 0.077 0.000 1.200 514 L HN 0.652 nan 8.230 nan 0.000 0.438 515 H N 3.607 122.754 119.070 0.129 0.000 2.629 515 H HA 0.224 4.779 4.556 -0.000 0.000 0.357 515 H C 1.204 176.445 175.328 -0.146 0.000 1.121 515 H CA 0.326 56.273 56.048 -0.168 0.000 1.406 515 H CB 0.893 30.376 29.762 -0.466 0.000 1.456 515 H HN 0.707 nan 8.280 nan 0.000 0.579 516 N N 1.649 120.277 118.700 -0.121 0.000 2.091 516 N HA -0.205 4.535 4.740 -0.000 0.000 0.193 516 N C 1.543 177.118 175.510 0.108 0.000 1.021 516 N CA 2.064 55.119 53.050 0.008 0.000 0.862 516 N CB -0.234 38.210 38.487 -0.073 0.000 1.018 516 N HN 0.740 nan 8.380 nan 0.000 0.429 517 T N -1.623 113.012 114.554 0.135 0.000 3.072 517 T HA -0.053 4.296 4.350 -0.000 0.000 0.266 517 T C 1.412 176.097 174.700 -0.026 0.000 1.127 517 T CA 0.735 62.791 62.100 -0.073 0.000 1.107 517 T CB -0.293 68.298 68.868 -0.461 0.000 0.910 517 T HN 0.231 nan 8.240 nan 0.000 0.513 518 H N -0.353 118.699 119.070 -0.031 0.000 2.521 518 H HA 0.061 4.617 4.556 -0.000 0.000 0.286 518 H C 0.895 176.186 175.328 -0.062 0.000 1.034 518 H CA -0.005 55.916 56.048 -0.212 0.000 1.278 518 H CB -0.521 29.101 29.762 -0.234 0.000 1.386 518 H HN 0.552 nan 8.280 nan 0.000 0.567 519 W N 2.333 123.637 121.300 0.007 0.000 2.493 519 W HA -0.001 4.659 4.660 -0.000 0.000 0.337 519 W C 1.001 177.511 176.519 -0.015 0.000 1.234 519 W CA 1.845 59.184 57.345 -0.011 0.000 1.286 519 W CB -0.050 29.398 29.460 -0.020 0.000 1.188 519 W HN 0.527 nan 8.180 nan 0.000 0.564 520 G N 4.270 112.677 108.800 -0.655 0.000 2.196 520 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.268 520 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.268 520 G C 0.716 175.509 174.900 -0.179 0.000 0.975 520 G CA 0.820 45.645 45.100 -0.458 0.000 0.648 520 G HN 0.594 nan 8.290 nan 0.000 0.538 521 L N -1.375 119.789 121.223 -0.099 0.000 2.467 521 L HA 0.424 4.764 4.340 -0.000 0.000 0.213 521 L C 0.668 177.479 176.870 -0.098 0.000 1.053 521 L CA 0.314 55.138 54.840 -0.026 0.000 0.847 521 L CB 0.561 42.709 42.059 0.149 0.000 1.075 521 L HN 0.105 nan 8.230 nan 0.000 0.479 522 V N -0.399 119.396 119.914 -0.198 0.000 2.709 522 V HA 0.190 4.310 4.120 -0.000 0.000 0.308 522 V C -0.457 175.497 176.094 -0.234 0.000 1.062 522 V CA -1.229 60.916 62.300 -0.258 0.000 0.901 522 V CB 2.521 34.053 31.823 -0.485 0.000 1.003 522 V HN 0.210 nan 8.190 nan 0.000 0.425 523 C N 8.375 127.564 119.300 -0.186 0.000 2.538 523 C HA 0.142 4.602 4.460 -0.000 0.000 0.408 523 C C -0.109 174.786 174.990 -0.158 0.000 1.421 523 C CA -0.285 58.641 59.018 -0.153 0.000 1.642 523 C CB 0.290 27.961 27.740 -0.115 0.000 2.553 523 C HN 0.848 nan 8.230 nan 0.000 0.604 524 P HA 0.066 nan 4.420 nan 0.000 0.240 524 P C 0.766 178.020 177.300 -0.077 0.000 1.190 524 P CA 1.553 64.598 63.100 -0.092 0.000 0.781 524 P CB 0.168 31.837 31.700 -0.050 0.000 0.931 525 A N 0.352 123.126 122.820 -0.078 0.000 1.963 525 A HA 0.046 4.366 4.320 -0.000 0.000 0.207 525 A C 1.376 178.917 177.584 -0.071 0.000 1.243 525 A CA 0.072 52.066 52.037 -0.071 0.000 0.728 525 A CB -0.648 18.312 19.000 -0.066 0.000 0.895 525 A HN 0.158 nan 8.150 nan 0.000 0.467 526 E N 1.135 121.290 120.200 -0.075 0.000 2.003 526 E HA 0.333 4.683 4.350 -0.000 0.000 0.279 526 E C -0.920 175.639 176.600 -0.067 0.000 1.132 526 E CA 0.063 56.425 56.400 -0.064 0.000 0.888 526 E CB 0.053 29.716 29.700 -0.062 0.000 1.056 526 E HN 0.193 nan 8.360 nan 0.000 0.399 527 T N 5.081 119.606 114.554 -0.049 0.000 2.956 527 T HA 0.376 4.726 4.350 -0.000 0.000 0.312 527 T C -2.764 171.925 174.700 -0.018 0.000 1.151 527 T CA -1.712 60.360 62.100 -0.045 0.000 1.024 527 T CB 1.498 70.334 68.868 -0.054 0.000 1.140 527 T HN 0.324 nan 8.240 nan 0.000 0.473 528 P HA 0.239 nan 4.420 nan 0.000 0.271 528 P C -0.415 176.890 177.300 0.009 0.000 1.216 528 P CA -0.145 62.952 63.100 -0.006 0.000 0.771 528 P CB 0.708 32.399 31.700 -0.016 0.000 0.864 529 E N 0.814 121.027 120.200 0.023 0.000 2.371 529 E HA 0.418 4.768 4.350 -0.000 0.000 0.257 529 E C 1.024 177.631 176.600 0.012 0.000 1.134 529 E CA 0.042 56.462 56.400 0.033 0.000 0.919 529 E CB 0.159 29.887 29.700 0.045 0.000 1.025 529 E HN 0.767 nan 8.360 nan 0.000 0.438 530 G N 1.193 110.001 108.800 0.013 0.000 2.545 530 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.240 530 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.240 530 G C 0.719 175.622 174.900 0.005 0.000 1.172 530 G CA 0.217 45.320 45.100 0.004 0.000 0.949 530 G HN 0.562 nan 8.290 nan 0.000 0.574 531 Q N 0.511 120.312 119.800 0.001 0.000 2.172 531 Q HA 0.295 4.635 4.340 -0.000 0.000 0.200 531 Q C 2.369 178.371 176.000 0.002 0.000 0.964 531 Q CA 2.631 58.436 55.803 0.002 0.000 0.855 531 Q CB -0.603 28.135 28.738 0.001 0.000 0.918 531 Q HN 1.707 nan 8.270 nan 0.000 0.444 532 A N 0.595 123.415 122.820 0.000 0.000 2.275 532 A HA 0.133 4.453 4.320 -0.000 0.000 0.212 532 A C 0.726 178.308 177.584 -0.004 0.000 1.201 532 A CA -0.042 51.994 52.037 -0.002 0.000 0.843 532 A CB -0.539 18.457 19.000 -0.005 0.000 0.873 532 A HN 0.486 nan 8.150 nan 0.000 0.492 533 C N 0.684 119.984 119.300 0.000 0.000 2.648 533 C HA 0.424 4.884 4.460 -0.000 0.000 0.406 533 C C 1.903 176.891 174.990 -0.003 0.000 1.406 533 C CA 1.173 60.191 59.018 0.000 0.000 1.610 533 C CB -1.644 26.102 27.740 0.011 0.000 2.451 533 C HN 1.440 nan 8.230 nan 0.000 0.608 534 G N 4.614 113.404 108.800 -0.016 0.000 2.336 534 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.233 534 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.233 534 G C 0.656 175.547 174.900 -0.016 0.000 1.053 534 G CA 0.528 45.617 45.100 -0.018 0.000 0.625 534 G HN 0.688 nan 8.290 nan 0.000 0.511 535 L N 0.551 121.770 121.223 -0.006 0.000 2.249 535 L HA 0.299 4.639 4.340 -0.000 0.000 0.207 535 L C 1.055 177.919 176.870 -0.010 0.000 1.090 535 L CA 0.457 55.298 54.840 0.002 0.000 0.802 535 L CB 0.106 42.169 42.059 0.008 0.000 0.947 535 L HN 0.152 nan 8.230 nan 0.000 0.453 536 V N 1.350 121.251 119.914 -0.022 0.000 2.383 536 V HA 0.230 4.350 4.120 -0.000 0.000 0.275 536 V C -0.007 176.055 176.094 -0.054 0.000 1.036 536 V CA -0.434 61.849 62.300 -0.028 0.000 0.889 536 V CB 1.222 33.032 31.823 -0.023 0.000 0.985 536 V HN 0.182 nan 8.190 nan 0.000 0.459 537 K N 3.693 124.055 120.400 -0.063 0.000 2.346 537 K HA 0.609 4.929 4.320 -0.000 0.000 0.238 537 K C -0.937 175.614 176.600 -0.082 0.000 1.039 537 K CA -1.049 55.174 56.287 -0.106 0.000 0.861 537 K CB 1.820 34.215 32.500 -0.175 0.000 1.278 537 K HN 0.536 nan 8.250 nan 0.000 0.460 538 N N 1.567 120.204 118.700 -0.105 0.000 2.410 538 N HA 0.255 4.995 4.740 -0.000 0.000 0.287 538 N C -0.842 174.614 175.510 -0.089 0.000 1.044 538 N CA -0.513 52.491 53.050 -0.077 0.000 0.881 538 N CB 1.652 40.097 38.487 -0.069 0.000 1.405 538 N HN 0.332 nan 8.380 nan 0.000 0.490 539 L N 1.739 122.926 121.223 -0.060 0.000 2.540 539 L HA 0.014 4.354 4.340 -0.000 0.000 0.276 539 L C 0.995 177.828 176.870 -0.062 0.000 1.212 539 L CA 0.294 55.100 54.840 -0.056 0.000 0.893 539 L CB 0.031 42.069 42.059 -0.034 0.000 1.138 539 L HN 0.439 nan 8.230 nan 0.000 0.491 540 S N 3.329 118.980 115.700 -0.083 0.000 2.584 540 S HA 0.148 4.618 4.470 -0.000 0.000 0.270 540 S C 1.504 176.087 174.600 -0.029 0.000 1.346 540 S CA -0.840 57.312 58.200 -0.079 0.000 1.018 540 S CB 0.951 64.072 63.200 -0.132 0.000 0.899 540 S HN 0.501 nan 8.310 nan 0.000 0.542 541 L N 0.306 121.544 121.223 0.025 0.000 2.034 541 L HA -0.209 4.131 4.340 -0.000 0.000 0.217 541 L C 1.925 178.918 176.870 0.206 0.000 1.077 541 L CA 1.675 56.620 54.840 0.173 0.000 0.769 541 L CB -0.442 41.796 42.059 0.299 0.000 0.890 541 L HN 0.681 nan 8.230 nan 0.000 0.435 542 M N -1.322 118.234 119.600 -0.075 0.000 2.493 542 M HA 0.090 4.570 4.480 -0.000 0.000 0.244 542 M C 0.562 176.717 176.300 -0.241 0.000 1.182 542 M CA -0.076 55.009 55.300 -0.359 0.000 0.981 542 M CB 0.419 32.538 32.600 -0.802 0.000 1.551 542 M HN 0.032 nan 8.290 nan 0.000 0.476 543 S N 0.080 115.699 115.700 -0.135 0.000 2.592 543 S HA 0.361 4.831 4.470 -0.000 0.000 0.271 543 S C -0.183 174.251 174.600 -0.277 0.000 1.326 543 S CA -0.364 57.722 58.200 -0.190 0.000 1.024 543 S CB 1.057 64.186 63.200 -0.118 0.000 0.921 543 S HN 0.442 nan 8.310 nan 0.000 0.527 544 C N 1.930 120.885 119.300 -0.575 0.000 3.241 544 C HA 0.625 5.085 4.460 -0.000 0.000 0.312 544 C C -0.806 173.689 174.990 -0.824 0.000 1.350 544 C CA -0.811 57.749 59.018 -0.763 0.000 1.415 544 C CB 0.940 28.005 27.740 -1.126 0.000 1.770 544 C HN 0.778 nan 8.230 nan 0.000 0.466 545 I N 1.805 122.123 120.570 -0.419 0.000 2.569 545 I HA 0.352 4.522 4.170 -0.000 0.000 0.296 545 I C 0.290 176.501 176.117 0.157 0.000 1.028 545 I CA -0.040 61.191 61.300 -0.114 0.000 1.082 545 I CB 2.108 40.065 38.000 -0.073 0.000 1.264 545 I HN 0.785 nan 8.210 nan 0.000 0.429 546 S N 3.916 119.774 115.700 0.264 0.000 2.537 546 S HA 0.061 4.531 4.470 -0.000 0.000 0.286 546 S C 0.498 175.148 174.600 0.083 0.000 1.299 546 S CA -0.592 57.723 58.200 0.193 0.000 1.067 546 S CB 1.526 64.782 63.200 0.093 0.000 0.864 546 S HN 0.541 nan 8.310 nan 0.000 0.494 547 V N 3.133 123.081 119.914 0.056 0.000 3.608 547 V HA 0.399 4.519 4.120 -0.000 0.000 0.269 547 V C 1.062 177.148 176.094 -0.013 0.000 1.245 547 V CA 1.161 63.471 62.300 0.017 0.000 1.138 547 V CB -0.955 30.870 31.823 0.003 0.000 0.841 547 V HN 1.606 nan 8.190 nan 0.000 0.451 548 G N 0.295 109.086 108.800 -0.014 0.000 3.190 548 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.686 548 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.686 548 G C -0.361 174.497 174.900 -0.070 0.000 1.033 548 G CA -0.099 44.984 45.100 -0.027 0.000 0.797 548 G HN 0.429 nan 8.290 nan 0.000 0.567 549 T N 2.172 116.692 114.554 -0.056 0.000 2.906 549 T HA 0.510 4.860 4.350 -0.000 0.000 0.295 549 T C -0.425 174.243 174.700 -0.054 0.000 1.061 549 T CA -0.508 61.544 62.100 -0.079 0.000 1.000 549 T CB 1.942 70.767 68.868 -0.072 0.000 1.103 549 T HN 0.701 nan 8.240 nan 0.000 0.486 550 D N 2.757 123.122 120.400 -0.058 0.000 2.417 550 D HA 0.124 4.763 4.640 -0.000 0.000 0.250 550 D C -1.321 174.960 176.300 -0.032 0.000 1.166 550 D CA -1.537 52.443 54.000 -0.033 0.000 0.881 550 D CB 1.526 42.312 40.800 -0.022 0.000 1.164 550 D HN 0.182 nan 8.370 nan 0.000 0.467 551 P HA 0.017 nan 4.420 nan 0.000 0.251 551 P C 1.680 178.959 177.300 -0.035 0.000 1.223 551 P CA 0.180 63.256 63.100 -0.040 0.000 0.796 551 P CB 0.362 32.038 31.700 -0.039 0.000 1.068 552 M N 1.242 120.834 119.600 -0.013 0.000 2.082 552 M HA -0.112 4.368 4.480 -0.000 0.000 0.258 552 M C -0.279 176.026 176.300 0.008 0.000 1.071 552 M CA 2.954 58.256 55.300 0.003 0.000 1.103 552 M CB -2.404 30.203 32.600 0.012 0.000 1.307 552 M HN 0.013 nan 8.290 nan 0.000 0.409 553 P HA -0.180 nan 4.420 nan 0.000 0.214 553 P C 1.566 178.889 177.300 0.040 0.000 1.163 553 P CA 1.835 64.951 63.100 0.026 0.000 0.889 553 P CB -0.317 31.384 31.700 0.002 0.000 0.790 554 I N -0.443 120.119 120.570 -0.012 0.000 2.118 554 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 554 I C 2.780 178.910 176.117 0.022 0.000 1.070 554 I CA 1.547 62.836 61.300 -0.018 0.000 1.327 554 I CB -0.749 37.202 38.000 -0.082 0.000 1.034 554 I HN -0.163 nan 8.210 nan 0.000 0.405 555 I N 0.317 120.862 120.570 -0.043 0.000 2.151 555 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 555 I C 2.601 178.739 176.117 0.036 0.000 1.080 555 I CA 1.755 63.015 61.300 -0.067 0.000 1.339 555 I CB -0.679 37.266 38.000 -0.092 0.000 1.039 555 I HN 0.277 nan 8.210 nan 0.000 0.409 556 T N 0.711 115.304 114.554 0.065 0.000 2.622 556 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 556 T C 1.722 176.497 174.700 0.125 0.000 1.047 556 T CA 1.766 63.918 62.100 0.087 0.000 1.159 556 T CB -0.539 68.382 68.868 0.089 0.000 0.863 556 T HN 0.273 nan 8.240 nan 0.000 0.422 557 F N 1.365 121.328 119.950 0.022 0.000 2.202 557 F HA -0.069 4.458 4.527 -0.000 0.000 0.301 557 F C 1.934 177.790 175.800 0.094 0.000 1.082 557 F CA 1.011 59.041 58.000 0.049 0.000 1.313 557 F CB -0.357 38.622 39.000 -0.035 0.000 1.024 557 F HN 0.084 nan 8.300 nan 0.000 0.495 558 L N -0.462 120.887 121.223 0.210 0.000 2.017 558 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 558 L C 2.680 179.628 176.870 0.130 0.000 1.073 558 L CA 1.667 56.609 54.840 0.169 0.000 0.745 558 L CB -1.034 41.082 42.059 0.095 0.000 0.894 558 L HN 0.238 nan 8.230 nan 0.000 0.432 559 S N -1.255 114.490 115.700 0.074 0.000 2.453 559 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 559 S C 1.686 176.288 174.600 0.005 0.000 1.005 559 S CA 0.694 58.918 58.200 0.040 0.000 0.949 559 S CB -0.257 62.961 63.200 0.030 0.000 0.774 559 S HN 0.425 nan 8.310 nan 0.000 0.510 560 E N -0.543 119.647 120.200 -0.017 0.000 2.274 560 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 560 E C 0.148 176.687 176.600 -0.102 0.000 0.996 560 E CA 0.503 56.855 56.400 -0.079 0.000 0.840 560 E CB 0.005 29.632 29.700 -0.122 0.000 0.772 560 E HN 0.709 nan 8.360 nan 0.000 0.491 561 W N 0.115 121.253 121.300 -0.270 0.000 3.015 561 W HA 0.282 4.942 4.660 -0.000 0.000 0.429 561 W C 0.797 177.330 176.519 0.023 0.000 0.976 561 W CA 0.540 57.782 57.345 -0.172 0.000 2.086 561 W CB 0.902 30.231 29.460 -0.218 0.000 1.125 561 W HN 0.086 nan 8.180 nan 0.000 0.721 562 G N 0.342 109.158 108.800 0.025 0.000 2.144 562 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 562 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 562 G C 0.303 175.046 174.900 -0.260 0.000 0.988 562 G CA -0.541 44.468 45.100 -0.152 0.000 0.659 562 G HN 0.086 nan 8.290 nan 0.000 0.522 563 M N 1.529 121.141 119.600 0.020 0.000 2.184 563 M HA 0.255 4.735 4.480 -0.000 0.000 0.351 563 M C 0.394 176.669 176.300 -0.041 0.000 1.395 563 M CA 0.269 55.605 55.300 0.061 0.000 1.117 563 M CB 0.249 32.938 32.600 0.149 0.000 1.708 563 M HN 0.286 nan 8.290 nan 0.000 0.468 564 E N 6.812 126.961 120.200 -0.085 0.000 2.289 564 E HA 0.255 4.605 4.350 -0.000 0.000 0.278 564 E C -2.139 174.399 176.600 -0.102 0.000 1.032 564 E CA -1.614 54.733 56.400 -0.088 0.000 0.854 564 E CB 0.749 30.399 29.700 -0.083 0.000 1.046 564 E HN 0.405 nan 8.360 nan 0.000 0.409 565 P HA -0.063 nan 4.420 nan 0.000 0.271 565 P C 0.437 177.638 177.300 -0.166 0.000 1.218 565 P CA -0.197 62.843 63.100 -0.101 0.000 0.780 565 P CB 0.985 32.652 31.700 -0.055 0.000 0.901 566 L N 2.604 123.665 121.223 -0.269 0.000 2.131 566 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 566 L C 2.316 179.127 176.870 -0.098 0.000 1.092 566 L CA 1.867 56.459 54.840 -0.412 0.000 0.759 566 L CB -1.066 40.655 42.059 -0.564 0.000 0.903 566 L HN 0.340 nan 8.230 nan 0.000 0.435 567 E N -0.755 119.432 120.200 -0.022 0.000 2.118 567 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 567 E C 0.580 177.224 176.600 0.074 0.000 0.992 567 E CA 1.185 57.618 56.400 0.055 0.000 0.804 567 E CB -0.511 29.178 29.700 -0.019 0.000 0.741 567 E HN 0.520 nan 8.360 nan 0.000 0.458 568 D N 0.012 120.428 120.400 0.026 0.000 2.894 568 D HA 0.060 4.700 4.640 -0.000 0.000 0.248 568 D C -0.754 175.581 176.300 0.058 0.000 1.291 568 D CA -0.193 53.826 54.000 0.031 0.000 0.840 568 D CB -0.425 40.374 40.800 -0.002 0.000 1.044 568 D HN 0.092 nan 8.370 nan 0.000 0.484 569 Y N 0.474 120.719 120.300 -0.092 0.000 2.352 569 Y HA 0.443 4.993 4.550 -0.000 0.000 0.339 569 Y C -1.110 174.775 175.900 -0.026 0.000 0.992 569 Y CA -1.061 56.939 58.100 -0.167 0.000 1.100 569 Y CB 1.320 39.499 38.460 -0.468 0.000 1.192 569 Y HN -0.259 nan 8.280 nan 0.000 0.458 570 V N 9.676 129.253 119.914 -0.562 0.000 2.398 570 V HA 0.259 4.379 4.120 -0.000 0.000 0.282 570 V C -1.783 173.939 176.094 -0.621 0.000 1.014 570 V CA -1.440 60.568 62.300 -0.487 0.000 0.838 570 V CB 1.468 33.167 31.823 -0.207 0.000 1.018 570 V HN 0.755 nan 8.190 nan 0.000 0.432 571 P HA -0.242 nan 4.420 nan 0.000 0.214 571 P C 1.394 178.692 177.300 -0.003 0.000 1.163 571 P CA 1.792 64.767 63.100 -0.207 0.000 0.889 571 P CB -0.093 31.704 31.700 0.163 0.000 0.790 572 H N -0.331 118.725 119.070 -0.024 0.000 2.568 572 H HA 0.036 4.592 4.556 -0.000 0.000 0.281 572 H C 1.277 176.607 175.328 0.002 0.000 1.028 572 H CA 0.798 56.852 56.048 0.010 0.000 1.199 572 H CB -0.497 29.266 29.762 0.001 0.000 1.352 572 H HN 0.285 nan 8.280 nan 0.000 0.605 573 Q N 0.685 120.182 119.800 -0.506 0.000 2.317 573 Q HA 0.091 4.431 4.340 -0.000 0.000 0.220 573 Q C -0.045 175.866 176.000 -0.149 0.000 0.873 573 Q CA 0.472 56.028 55.803 -0.412 0.000 0.936 573 Q CB 0.934 29.406 28.738 -0.442 0.000 1.105 573 Q HN 0.511 nan 8.270 nan 0.000 0.520 574 S N -1.006 114.660 115.700 -0.058 0.000 2.777 574 S HA 0.195 4.665 4.470 -0.000 0.000 0.140 574 S C -2.353 172.310 174.600 0.104 0.000 1.233 574 S CA -0.893 57.327 58.200 0.033 0.000 1.157 574 S CB 0.789 64.025 63.200 0.059 0.000 1.600 574 S HN -0.058 nan 8.310 nan 0.000 0.432 575 P HA -0.087 nan 4.420 nan 0.000 0.216 575 P C 0.604 177.968 177.300 0.107 0.000 1.153 575 P CA 1.292 64.467 63.100 0.124 0.000 0.848 575 P CB -0.048 31.717 31.700 0.108 0.000 0.787 576 D N 0.562 121.009 120.400 0.080 0.000 2.309 576 D HA -0.014 4.626 4.640 -0.000 0.000 0.212 576 D C 1.073 177.413 176.300 0.067 0.000 0.968 576 D CA 0.558 54.598 54.000 0.066 0.000 0.882 576 D CB -0.649 40.184 40.800 0.054 0.000 0.918 576 D HN 0.197 nan 8.370 nan 0.000 0.503 577 A N 0.887 123.757 122.820 0.082 0.000 2.587 577 A HA 0.121 4.441 4.320 -0.000 0.000 0.235 577 A C 0.625 178.234 177.584 0.042 0.000 1.044 577 A CA 0.406 52.488 52.037 0.074 0.000 0.754 577 A CB 0.122 19.182 19.000 0.099 0.000 0.968 577 A HN 0.015 nan 8.150 nan 0.000 0.509 578 T N 3.332 117.914 114.554 0.047 0.000 2.845 578 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 578 T C 0.368 175.072 174.700 0.007 0.000 0.980 578 T CA -0.263 61.850 62.100 0.021 0.000 1.071 578 T CB 0.546 69.436 68.868 0.035 0.000 0.941 578 T HN 0.624 nan 8.240 nan 0.000 0.487 579 R N 1.737 122.207 120.500 -0.050 0.000 2.308 579 R HA 0.494 4.834 4.340 -0.000 0.000 0.305 579 R C -0.818 175.533 176.300 0.086 0.000 1.053 579 R CA -0.569 55.495 56.100 -0.060 0.000 0.957 579 R CB 0.879 30.895 30.300 -0.473 0.000 1.022 579 R HN 0.347 nan 8.270 nan 0.000 0.461 580 V N 4.931 124.956 119.914 0.184 0.000 2.347 580 V HA 0.378 4.498 4.120 -0.000 0.000 0.280 580 V C -0.539 175.697 176.094 0.237 0.000 1.021 580 V CA -0.562 61.856 62.300 0.197 0.000 0.847 580 V CB 0.564 32.464 31.823 0.128 0.000 0.990 580 V HN 0.502 nan 8.190 nan 0.000 0.444 581 F N 3.251 123.190 119.950 -0.018 0.000 2.492 581 F HA 0.776 5.303 4.527 -0.000 0.000 0.327 581 F C 0.018 175.748 175.800 -0.117 0.000 1.079 581 F CA -1.006 56.998 58.000 0.008 0.000 0.967 581 F CB 2.263 41.215 39.000 -0.081 0.000 1.169 581 F HN 0.172 nan 8.300 nan 0.000 0.472 582 V N 2.870 122.846 119.914 0.104 0.000 2.524 582 V HA 0.274 4.394 4.120 -0.000 0.000 0.297 582 V C -0.576 175.493 176.094 -0.042 0.000 1.035 582 V CA -1.386 60.843 62.300 -0.119 0.000 0.867 582 V CB 1.449 33.081 31.823 -0.319 0.000 1.004 582 V HN 0.808 nan 8.190 nan 0.000 0.426 583 N N 3.868 122.424 118.700 -0.240 0.000 2.721 583 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 583 N C 1.231 176.816 175.510 0.125 0.000 1.072 583 N CA 1.763 54.782 53.050 -0.051 0.000 0.710 583 N CB -1.011 37.513 38.487 0.062 0.000 0.993 583 N HN 1.623 nan 8.380 nan 0.000 0.547 584 G N -3.056 105.825 108.800 0.135 0.000 2.199 584 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 584 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 584 G C 0.011 175.247 174.900 0.560 0.000 0.982 584 G CA 0.299 45.633 45.100 0.390 0.000 0.632 584 G HN 0.507 nan 8.290 nan 0.000 0.529 585 V N 0.881 121.011 119.914 0.361 0.000 2.407 585 V HA 0.520 4.640 4.120 -0.000 0.000 0.278 585 V C 0.378 176.538 176.094 0.110 0.000 1.037 585 V CA -0.810 61.580 62.300 0.150 0.000 0.900 585 V CB 1.351 33.132 31.823 -0.069 0.000 0.983 585 V HN 0.321 nan 8.190 nan 0.000 0.459 586 W N 5.517 126.586 121.300 -0.384 0.000 2.481 586 W HA 0.317 4.977 4.660 -0.000 0.000 0.320 586 W C 1.002 177.271 176.519 -0.417 0.000 1.209 586 W CA -0.689 56.130 57.345 -0.876 0.000 1.400 586 W CB -0.163 28.686 29.460 -1.018 0.000 1.361 586 W HN 0.722 nan 8.180 nan 0.000 0.456 587 H N 3.280 122.262 119.070 -0.147 0.000 2.562 587 H HA 0.221 4.777 4.556 -0.000 0.000 0.267 587 H C 1.133 176.294 175.328 -0.278 0.000 0.959 587 H CA 1.037 56.977 56.048 -0.180 0.000 1.204 587 H CB 0.922 30.636 29.762 -0.079 0.000 1.430 587 H HN 0.530 nan 8.280 nan 0.000 0.545 588 G N 0.048 108.724 108.800 -0.208 0.000 2.360 588 G HA2 0.268 4.228 3.960 -0.000 0.000 0.276 588 G HA3 0.268 4.228 3.960 -0.000 0.000 0.276 588 G C -1.855 172.962 174.900 -0.139 0.000 1.256 588 G CA -0.170 44.737 45.100 -0.323 0.000 0.890 588 G HN 0.083 nan 8.290 nan 0.000 0.486 589 V N -0.469 119.339 119.914 -0.177 0.000 3.078 589 V HA 0.888 5.008 4.120 -0.000 0.000 0.311 589 V C -1.401 174.706 176.094 0.022 0.000 1.138 589 V CA -0.613 61.618 62.300 -0.115 0.000 1.007 589 V CB 2.375 33.958 31.823 -0.399 0.000 1.045 589 V HN 1.159 nan 8.190 nan 0.000 0.432 590 H N 2.633 121.684 119.070 -0.030 0.000 3.042 590 H HA 0.583 5.138 4.556 -0.000 0.000 0.345 590 H C -0.611 174.726 175.328 0.016 0.000 1.052 590 H CA -0.707 55.344 56.048 0.005 0.000 1.311 590 H CB 1.282 31.062 29.762 0.031 0.000 1.810 590 H HN 0.605 nan 8.280 nan 0.000 0.505 591 R N 3.626 124.196 120.500 0.116 0.000 2.308 591 R HA 0.237 4.577 4.340 -0.000 0.000 0.305 591 R C -0.230 176.229 176.300 0.264 0.000 1.053 591 R CA -0.500 55.678 56.100 0.130 0.000 0.957 591 R CB 0.349 30.665 30.300 0.027 0.000 1.022 591 R HN 0.745 nan 8.270 nan 0.000 0.461 592 N N 2.636 121.448 118.700 0.186 0.000 2.688 592 N HA -0.093 4.646 4.740 -0.000 0.000 0.261 592 N C -2.071 173.538 175.510 0.165 0.000 1.116 592 N CA 0.257 53.404 53.050 0.163 0.000 0.689 592 N CB -0.384 38.193 38.487 0.150 0.000 0.882 592 N HN 0.568 nan 8.380 nan 0.000 0.554 593 P HA -0.043 nan 4.420 nan 0.000 0.233 593 P C 1.239 178.503 177.300 -0.060 0.000 1.167 593 P CA 0.956 64.002 63.100 -0.089 0.000 0.770 593 P CB 0.247 31.919 31.700 -0.046 0.000 0.837 594 A N 1.569 124.394 122.820 0.008 0.000 1.883 594 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 594 A C 2.413 180.016 177.584 0.031 0.000 1.186 594 A CA 1.452 53.499 52.037 0.018 0.000 0.624 594 A CB -1.070 17.953 19.000 0.037 0.000 0.822 594 A HN 0.124 nan 8.150 nan 0.000 0.444 595 R N -1.312 119.238 120.500 0.083 0.000 2.090 595 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 595 R C 2.122 178.493 176.300 0.120 0.000 1.110 595 R CA 1.177 57.373 56.100 0.160 0.000 0.973 595 R CB -0.524 29.951 30.300 0.291 0.000 0.869 595 R HN 0.501 nan 8.270 nan 0.000 0.440 596 L N 0.728 121.972 121.223 0.036 0.000 1.994 596 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 596 L C 2.294 179.085 176.870 -0.132 0.000 1.071 596 L CA 1.713 56.507 54.840 -0.077 0.000 0.745 596 L CB -0.447 41.444 42.059 -0.280 0.000 0.892 596 L HN 0.054 nan 8.230 nan 0.000 0.431 597 M N -0.120 119.418 119.600 -0.104 0.000 2.108 597 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 597 M C 2.085 178.333 176.300 -0.087 0.000 1.066 597 M CA 1.772 57.020 55.300 -0.087 0.000 1.107 597 M CB -0.466 32.101 32.600 -0.055 0.000 1.356 597 M HN 0.406 nan 8.290 nan 0.000 0.406 598 E N -1.403 118.759 120.200 -0.064 0.000 2.031 598 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 598 E C 1.856 178.385 176.600 -0.119 0.000 0.994 598 E CA 1.968 58.332 56.400 -0.059 0.000 0.800 598 E CB -0.319 29.376 29.700 -0.009 0.000 0.752 598 E HN 0.513 nan 8.360 nan 0.000 0.447 599 T N 1.732 116.170 114.554 -0.194 0.000 2.720 599 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 599 T C 1.979 176.473 174.700 -0.344 0.000 1.037 599 T CA 0.935 62.830 62.100 -0.341 0.000 1.144 599 T CB -0.268 68.126 68.868 -0.789 0.000 0.864 599 T HN 0.074 nan 8.240 nan 0.000 0.444 600 L N 0.150 121.190 121.223 -0.305 0.000 2.042 600 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 600 L C 2.915 179.651 176.870 -0.222 0.000 1.076 600 L CA 1.469 56.135 54.840 -0.290 0.000 0.749 600 L CB -0.424 41.514 42.059 -0.202 0.000 0.893 600 L HN 0.149 nan 8.230 nan 0.000 0.432 601 R N -0.955 119.450 120.500 -0.158 0.000 2.092 601 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 601 R C 2.322 178.544 176.300 -0.130 0.000 1.119 601 R CA 1.761 57.791 56.100 -0.117 0.000 0.970 601 R CB -0.384 29.872 30.300 -0.073 0.000 0.864 601 R HN 0.285 nan 8.270 nan 0.000 0.440 602 T N 1.273 115.741 114.554 -0.143 0.000 2.746 602 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 602 T C 1.738 176.341 174.700 -0.162 0.000 1.039 602 T CA 0.952 62.974 62.100 -0.131 0.000 1.142 602 T CB -0.074 68.726 68.868 -0.113 0.000 0.866 602 T HN 0.133 nan 8.240 nan 0.000 0.444 603 L N 0.438 121.522 121.223 -0.232 0.000 2.131 603 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 603 L C 2.897 179.641 176.870 -0.210 0.000 1.092 603 L CA 1.185 55.865 54.840 -0.266 0.000 0.759 603 L CB -0.433 41.356 42.059 -0.450 0.000 0.903 603 L HN 0.150 nan 8.230 nan 0.000 0.435 604 R N 0.656 121.042 120.500 -0.190 0.000 2.080 604 R HA -0.066 4.274 4.340 -0.000 0.000 0.222 604 R C 2.271 178.486 176.300 -0.141 0.000 1.107 604 R CA 0.844 56.851 56.100 -0.154 0.000 0.980 604 R CB 0.021 30.239 30.300 -0.136 0.000 0.879 604 R HN 0.240 nan 8.270 nan 0.000 0.439 605 R N 0.326 120.745 120.500 -0.135 0.000 2.285 605 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 605 R C 2.116 178.338 176.300 -0.130 0.000 1.068 605 R CA 0.971 56.990 56.100 -0.136 0.000 1.004 605 R CB 0.025 30.254 30.300 -0.119 0.000 0.873 605 R HN 0.171 nan 8.270 nan 0.000 0.467 606 K N -0.892 119.435 120.400 -0.122 0.000 2.141 606 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 606 K C 1.008 177.547 176.600 -0.101 0.000 1.045 606 K CA 1.357 57.583 56.287 -0.102 0.000 0.971 606 K CB 0.496 32.938 32.500 -0.098 0.000 0.795 606 K HN 0.236 nan 8.250 nan 0.000 0.459 607 G N 0.545 109.279 108.800 -0.111 0.000 2.367 607 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.181 607 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.181 607 G C 0.295 175.138 174.900 -0.095 0.000 1.000 607 G CA 0.300 45.342 45.100 -0.097 0.000 0.693 607 G HN 0.298 nan 8.290 nan 0.000 0.480 608 D N 0.503 120.834 120.400 -0.115 0.000 2.117 608 D HA 0.050 4.690 4.640 -0.000 0.000 0.197 608 D C 1.369 177.581 176.300 -0.146 0.000 0.987 608 D CA 0.946 54.870 54.000 -0.128 0.000 0.829 608 D CB 0.169 40.868 40.800 -0.168 0.000 0.961 608 D HN 0.535 nan 8.370 nan 0.000 0.460 609 I N 1.077 121.546 120.570 -0.167 0.000 2.359 609 I HA 0.062 4.232 4.170 -0.000 0.000 0.294 609 I C 0.511 176.559 176.117 -0.114 0.000 0.987 609 I CA -0.779 60.426 61.300 -0.158 0.000 1.225 609 I CB 1.213 39.096 38.000 -0.195 0.000 1.366 609 I HN -0.096 nan 8.210 nan 0.000 0.466 610 N N 7.901 126.547 118.700 -0.091 0.000 2.411 610 N HA -0.005 4.735 4.740 -0.000 0.000 0.261 610 N C -1.816 173.658 175.510 -0.061 0.000 1.248 610 N CA -0.807 52.204 53.050 -0.065 0.000 0.885 610 N CB 1.405 39.856 38.487 -0.060 0.000 1.062 610 N HN 0.299 nan 8.380 nan 0.000 0.471 611 P HA -0.155 nan 4.420 nan 0.000 0.218 611 P C 0.974 178.280 177.300 0.009 0.000 1.146 611 P CA 1.006 64.101 63.100 -0.008 0.000 0.813 611 P CB 0.205 31.928 31.700 0.038 0.000 0.778 612 E N 0.184 120.353 120.200 -0.052 0.000 2.268 612 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 612 E C 0.089 176.577 176.600 -0.186 0.000 0.995 612 E CA 0.340 56.598 56.400 -0.237 0.000 0.836 612 E CB -0.072 29.543 29.700 -0.142 0.000 0.763 612 E HN 0.005 nan 8.360 nan 0.000 0.491 613 V N 1.663 121.519 119.914 -0.096 0.000 2.655 613 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 613 V C 0.397 176.471 176.094 -0.034 0.000 1.044 613 V CA 0.180 62.448 62.300 -0.053 0.000 1.095 613 V CB 1.243 33.031 31.823 -0.057 0.000 0.952 613 V HN 0.087 nan 8.190 nan 0.000 0.485 614 S N 6.160 121.880 115.700 0.033 0.000 2.451 614 S HA 0.745 5.215 4.470 -0.000 0.000 0.301 614 S C -0.654 174.006 174.600 0.100 0.000 1.116 614 S CA -0.788 57.453 58.200 0.069 0.000 1.093 614 S CB 0.518 63.783 63.200 0.108 0.000 1.017 614 S HN 0.627 nan 8.310 nan 0.000 0.482 615 M N 5.206 124.837 119.600 0.051 0.000 2.142 615 M HA 0.482 4.962 4.480 -0.000 0.000 0.299 615 M C -1.594 174.729 176.300 0.038 0.000 0.960 615 M CA -0.452 54.865 55.300 0.028 0.000 0.920 615 M CB 1.636 34.221 32.600 -0.025 0.000 1.541 615 M HN 0.439 nan 8.290 nan 0.000 0.429 616 I N 3.060 123.663 120.570 0.055 0.000 2.418 616 I HA 0.465 4.635 4.170 -0.000 0.000 0.287 616 I C -0.185 175.938 176.117 0.011 0.000 1.008 616 I CA -0.386 60.939 61.300 0.041 0.000 1.104 616 I CB 1.666 39.706 38.000 0.066 0.000 1.264 616 I HN 0.617 nan 8.210 nan 0.000 0.438 617 R N 4.344 124.845 120.500 0.000 0.000 2.294 617 R HA 0.294 4.634 4.340 -0.000 0.000 0.319 617 R C -0.915 175.377 176.300 -0.013 0.000 0.984 617 R CA -0.488 55.605 56.100 -0.013 0.000 0.861 617 R CB 0.937 31.228 30.300 -0.015 0.000 1.104 617 R HN 0.538 nan 8.270 nan 0.000 0.451 618 D N 6.331 126.715 120.400 -0.026 0.000 2.524 618 D HA 0.108 4.748 4.640 -0.000 0.000 0.222 618 D C 1.493 177.781 176.300 -0.021 0.000 1.142 618 D CA -0.247 53.736 54.000 -0.027 0.000 0.973 618 D CB 0.348 41.119 40.800 -0.049 0.000 1.025 618 D HN 0.637 nan 8.370 nan 0.000 0.519 619 I N 1.661 122.225 120.570 -0.010 0.000 2.143 619 I HA -0.380 3.790 4.170 -0.000 0.000 0.245 619 I C 2.328 178.444 176.117 -0.003 0.000 1.068 619 I CA 1.294 62.591 61.300 -0.004 0.000 1.326 619 I CB -0.038 37.962 38.000 0.001 0.000 1.028 619 I HN 0.245 nan 8.210 nan 0.000 0.412 620 R N 0.114 120.611 120.500 -0.004 0.000 2.090 620 R HA -0.130 4.210 4.340 -0.000 0.000 0.228 620 R C 2.014 178.312 176.300 -0.003 0.000 1.110 620 R CA 0.960 57.059 56.100 -0.002 0.000 0.973 620 R CB -0.273 30.026 30.300 -0.002 0.000 0.869 620 R HN 0.190 nan 8.270 nan 0.000 0.440 621 E N 1.148 121.339 120.200 -0.014 0.000 2.511 621 E HA -0.040 4.310 4.350 -0.000 0.000 0.196 621 E C -0.290 176.295 176.600 -0.025 0.000 1.066 621 E CA 0.324 56.712 56.400 -0.020 0.000 0.871 621 E CB -0.044 29.633 29.700 -0.039 0.000 0.863 621 E HN 0.068 nan 8.360 nan 0.000 0.520 622 K N 0.432 120.820 120.400 -0.020 0.000 3.069 622 K HA -0.219 4.101 4.320 -0.000 0.000 0.267 622 K C -0.828 175.742 176.600 -0.050 0.000 1.082 622 K CA 0.928 57.203 56.287 -0.020 0.000 0.782 622 K CB -1.313 31.184 32.500 -0.006 0.000 1.230 622 K HN 0.283 nan 8.250 nan 0.000 0.488 623 E N 0.323 120.484 120.200 -0.065 0.000 2.288 623 E HA 0.498 4.848 4.350 -0.000 0.000 0.268 623 E C -1.232 175.331 176.600 -0.062 0.000 0.885 623 E CA -1.157 55.186 56.400 -0.095 0.000 0.767 623 E CB 1.862 31.442 29.700 -0.199 0.000 1.220 623 E HN 0.069 nan 8.360 nan 0.000 0.427 624 L N 2.156 123.365 121.223 -0.024 0.000 2.372 624 L HA 0.430 4.770 4.340 -0.000 0.000 0.274 624 L C -1.460 175.411 176.870 0.002 0.000 0.988 624 L CA -0.364 54.468 54.840 -0.015 0.000 0.833 624 L CB 0.949 43.000 42.059 -0.013 0.000 1.236 624 L HN 0.373 nan 8.230 nan 0.000 0.410 625 K N 6.378 126.759 120.400 -0.033 0.000 2.270 625 K HA 0.708 5.028 4.320 -0.000 0.000 0.255 625 K C -1.201 175.327 176.600 -0.120 0.000 0.936 625 K CA -0.640 55.597 56.287 -0.083 0.000 0.809 625 K CB 2.466 34.938 32.500 -0.047 0.000 1.131 625 K HN 0.556 nan 8.250 nan 0.000 0.427 626 I N 2.398 122.776 120.570 -0.319 0.000 2.608 626 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 626 I C -1.130 174.663 176.117 -0.539 0.000 1.049 626 I CA -0.928 60.221 61.300 -0.251 0.000 1.063 626 I CB 1.388 39.290 38.000 -0.163 0.000 1.248 626 I HN 0.421 nan 8.210 nan 0.000 0.424 627 F N 2.136 122.078 119.950 -0.013 0.000 2.539 627 F HA 0.319 4.846 4.527 -0.000 0.000 0.318 627 F C 0.849 176.632 175.800 -0.028 0.000 1.135 627 F CA -0.546 57.449 58.000 -0.008 0.000 0.915 627 F CB 2.207 41.200 39.000 -0.011 0.000 1.176 627 F HN 0.485 nan 8.300 nan 0.000 0.440 628 T N -3.024 111.595 114.554 0.109 0.000 3.040 628 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 628 T C 0.132 174.865 174.700 0.054 0.000 1.005 628 T CA -0.360 61.768 62.100 0.046 0.000 0.906 628 T CB -0.380 68.485 68.868 -0.006 0.000 1.082 628 T HN 0.474 nan 8.240 nan 0.000 0.531 629 D N 2.239 122.702 120.400 0.106 0.000 2.363 629 D HA 0.452 5.092 4.640 -0.000 0.000 0.240 629 D C 0.138 176.469 176.300 0.052 0.000 1.236 629 D CA -0.511 53.538 54.000 0.081 0.000 0.927 629 D CB 0.835 41.706 40.800 0.117 0.000 1.150 629 D HN 0.351 nan 8.370 nan 0.000 0.458 630 A N -1.649 121.191 122.820 0.034 0.000 2.269 630 A HA 0.649 4.969 4.320 -0.000 0.000 0.319 630 A C 1.114 178.700 177.584 0.003 0.000 1.110 630 A CA -0.070 51.980 52.037 0.021 0.000 0.847 630 A CB 0.660 19.671 19.000 0.018 0.000 1.161 630 A HN 1.374 nan 8.150 nan 0.000 0.497 631 G N -0.198 108.599 108.800 -0.005 0.000 2.179 631 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 631 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 631 G C 0.268 175.118 174.900 -0.083 0.000 0.990 631 G CA 0.201 45.275 45.100 -0.043 0.000 0.646 631 G HN 0.830 nan 8.290 nan 0.000 0.517 632 R N 0.244 120.717 120.500 -0.045 0.000 2.308 632 R HA 0.500 4.840 4.340 -0.000 0.000 0.305 632 R C 0.063 176.372 176.300 0.016 0.000 1.053 632 R CA -0.429 55.630 56.100 -0.068 0.000 0.957 632 R CB 1.720 31.997 30.300 -0.037 0.000 1.022 632 R HN 0.070 nan 8.270 nan 0.000 0.461 633 V N 5.604 125.478 119.914 -0.066 0.000 2.406 633 V HA 0.228 4.348 4.120 -0.000 0.000 0.272 633 V C -0.492 175.661 176.094 0.098 0.000 1.043 633 V CA -0.333 61.964 62.300 -0.005 0.000 0.915 633 V CB 0.045 31.933 31.823 0.108 0.000 0.988 633 V HN 0.661 nan 8.190 nan 0.000 0.466 634 Y N 4.225 124.513 120.300 -0.021 0.000 2.634 634 Y HA 0.929 5.479 4.550 -0.000 0.000 0.340 634 Y C -0.325 175.553 175.900 -0.038 0.000 1.058 634 Y CA -1.717 56.373 58.100 -0.017 0.000 1.081 634 Y CB 1.570 40.007 38.460 -0.037 0.000 1.295 634 Y HN 0.640 nan 8.280 nan 0.000 0.487 635 R N 0.640 121.264 120.500 0.206 0.000 2.836 635 R HA 0.700 5.040 4.340 -0.000 0.000 0.269 635 R C -3.459 173.009 176.300 0.280 0.000 1.010 635 R CA -2.057 54.099 56.100 0.092 0.000 0.930 635 R CB 2.599 32.889 30.300 -0.015 0.000 1.218 635 R HN 0.518 nan 8.270 nan 0.000 0.473 636 P HA 0.394 nan 4.420 nan 0.000 0.298 636 P C -0.971 176.355 177.300 0.044 0.000 1.314 636 P CA -0.594 62.701 63.100 0.324 0.000 0.854 636 P CB 1.814 33.840 31.700 0.544 0.000 1.019 637 L N 2.711 123.961 121.223 0.044 0.000 2.279 637 L HA 0.524 4.864 4.340 -0.000 0.000 0.262 637 L C 0.204 177.067 176.870 -0.012 0.000 1.019 637 L CA -1.260 53.575 54.840 -0.009 0.000 0.823 637 L CB 1.616 43.741 42.059 0.110 0.000 1.358 637 L HN 0.269 nan 8.230 nan 0.000 0.432 638 F N 1.519 121.500 119.950 0.051 0.000 2.424 638 F HA 0.341 4.868 4.527 -0.000 0.000 0.356 638 F C 0.538 176.311 175.800 -0.045 0.000 1.110 638 F CA -0.542 57.444 58.000 -0.024 0.000 1.161 638 F CB 0.903 39.873 39.000 -0.051 0.000 1.115 638 F HN 0.162 nan 8.300 nan 0.000 0.507 639 I N 4.446 125.073 120.570 0.096 0.000 2.588 639 I HA 0.091 4.261 4.170 -0.000 0.000 0.283 639 I C -0.470 175.566 176.117 -0.135 0.000 1.119 639 I CA -0.162 61.054 61.300 -0.140 0.000 1.419 639 I CB 0.708 38.621 38.000 -0.144 0.000 1.394 639 I HN 0.174 nan 8.210 nan 0.000 0.562 640 V N 6.531 126.317 119.914 -0.212 0.000 2.380 640 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 640 V C -0.020 176.018 176.094 -0.093 0.000 1.015 640 V CA -0.530 61.706 62.300 -0.108 0.000 0.834 640 V CB 1.194 33.001 31.823 -0.027 0.000 1.009 640 V HN 0.681 nan 8.190 nan 0.000 0.428 641 E N 2.566 122.719 120.200 -0.078 0.000 2.449 641 E HA 0.461 4.811 4.350 -0.000 0.000 0.254 641 E C -0.748 175.826 176.600 -0.042 0.000 0.907 641 E CA -0.385 55.981 56.400 -0.056 0.000 0.840 641 E CB 2.324 31.985 29.700 -0.065 0.000 1.459 641 E HN 0.765 nan 8.360 nan 0.000 0.407 642 D N -0.188 120.193 120.400 -0.032 0.000 2.623 642 D HA 0.091 4.731 4.640 -0.000 0.000 0.252 642 D C -0.077 176.205 176.300 -0.031 0.000 1.294 642 D CA -0.072 53.909 54.000 -0.031 0.000 0.824 642 D CB 0.203 40.998 40.800 -0.009 0.000 1.070 642 D HN 0.167 nan 8.370 nan 0.000 0.487 643 D N 1.094 121.474 120.400 -0.034 0.000 2.265 643 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 643 D C 0.663 176.948 176.300 -0.026 0.000 0.977 643 D CA 0.937 54.922 54.000 -0.025 0.000 0.871 643 D CB 0.460 41.245 40.800 -0.025 0.000 0.925 643 D HN 0.426 nan 8.370 nan 0.000 0.485 644 E N 1.180 121.356 120.200 -0.041 0.000 2.194 644 E HA 0.065 4.415 4.350 -0.000 0.000 0.284 644 E C 0.910 177.485 176.600 -0.042 0.000 1.035 644 E CA -0.104 56.269 56.400 -0.045 0.000 0.836 644 E CB 1.165 30.823 29.700 -0.070 0.000 1.070 644 E HN -0.015 nan 8.360 nan 0.000 0.401 645 S N 4.761 120.445 115.700 -0.026 0.000 2.395 645 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 645 S C 2.036 176.628 174.600 -0.013 0.000 1.027 645 S CA 0.229 58.420 58.200 -0.015 0.000 0.965 645 S CB -0.335 62.861 63.200 -0.007 0.000 0.812 645 S HN 0.657 nan 8.310 nan 0.000 0.482 646 L N 1.410 122.620 121.223 -0.021 0.000 2.302 646 L HA -0.082 4.258 4.340 -0.000 0.000 0.218 646 L C 1.810 178.683 176.870 0.006 0.000 1.100 646 L CA 1.207 56.039 54.840 -0.012 0.000 0.774 646 L CB -0.898 41.147 42.059 -0.023 0.000 0.896 646 L HN 0.709 nan 8.230 nan 0.000 0.439 647 G N -2.837 105.960 108.800 -0.005 0.000 3.074 647 G HA2 0.127 4.087 3.960 -0.000 0.000 0.127 647 G HA3 0.127 4.087 3.960 -0.000 0.000 0.127 647 G C -0.342 174.609 174.900 0.086 0.000 1.216 647 G CA 0.047 45.191 45.100 0.074 0.000 1.390 647 G HN 0.133 nan 8.290 nan 0.000 0.676 648 H N 0.931 120.012 119.070 0.018 0.000 3.109 648 H HA 0.597 5.153 4.556 -0.000 0.000 0.190 648 H C -0.335 175.007 175.328 0.024 0.000 1.535 648 H CA -0.146 55.918 56.048 0.026 0.000 1.670 648 H CB -0.257 29.530 29.762 0.042 0.000 1.373 648 H HN 0.268 nan 8.280 nan 0.000 0.920 649 K N 0.199 120.648 120.400 0.081 0.000 2.174 649 K HA 0.266 4.586 4.320 -0.000 0.000 0.275 649 K C -0.328 176.216 176.600 -0.094 0.000 1.015 649 K CA -0.242 56.048 56.287 0.004 0.000 0.933 649 K CB 1.244 33.805 32.500 0.103 0.000 1.025 649 K HN 0.496 nan 8.250 nan 0.000 0.463 650 E N 1.933 122.060 120.200 -0.123 0.000 2.446 650 E HA 0.336 4.686 4.350 -0.000 0.000 0.276 650 E C -1.296 175.235 176.600 -0.114 0.000 0.969 650 E CA -0.702 55.611 56.400 -0.145 0.000 0.800 650 E CB 1.040 30.616 29.700 -0.206 0.000 1.341 650 E HN 0.344 nan 8.360 nan 0.000 0.460 651 L N 3.152 124.288 121.223 -0.145 0.000 2.426 651 L HA 0.236 4.576 4.340 -0.000 0.000 0.271 651 L C 1.433 178.211 176.870 -0.152 0.000 1.169 651 L CA -0.568 54.164 54.840 -0.180 0.000 0.836 651 L CB 0.391 42.252 42.059 -0.331 0.000 1.112 651 L HN 0.534 nan 8.230 nan 0.000 0.465 652 K N 1.647 121.965 120.400 -0.136 0.000 2.057 652 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 652 K C 0.640 177.162 176.600 -0.130 0.000 1.049 652 K CA 0.798 57.016 56.287 -0.115 0.000 0.931 652 K CB -0.367 32.056 32.500 -0.128 0.000 0.714 652 K HN 0.598 nan 8.250 nan 0.000 0.440 653 V N 0.972 120.767 119.914 -0.199 0.000 2.963 653 V HA 0.204 4.324 4.120 -0.000 0.000 0.306 653 V C 0.505 176.612 176.094 0.022 0.000 1.077 653 V CA -0.457 61.739 62.300 -0.173 0.000 1.124 653 V CB 0.651 32.368 31.823 -0.176 0.000 0.987 653 V HN 0.122 nan 8.190 nan 0.000 0.487 654 R N 1.838 122.509 120.500 0.285 0.000 2.870 654 R HA 0.480 4.820 4.340 -0.000 0.000 0.262 654 R C 0.783 177.133 176.300 0.082 0.000 1.112 654 R CA -1.029 55.144 56.100 0.123 0.000 0.976 654 R CB 0.678 31.033 30.300 0.092 0.000 1.261 654 R HN 0.556 nan 8.270 nan 0.000 0.453 655 K N 0.740 121.151 120.400 0.017 0.000 2.152 655 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 655 K C 1.798 178.384 176.600 -0.023 0.000 1.048 655 K CA 1.939 58.232 56.287 0.010 0.000 0.933 655 K CB -0.460 32.043 32.500 0.004 0.000 0.721 655 K HN 0.801 nan 8.250 nan 0.000 0.447 656 G N 1.007 109.745 108.800 -0.102 0.000 2.402 656 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 656 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 656 G C 1.357 176.127 174.900 -0.217 0.000 1.162 656 G CA 0.562 45.542 45.100 -0.200 0.000 0.777 656 G HN 0.337 nan 8.290 nan 0.000 0.539 657 H N 0.573 119.607 119.070 -0.060 0.000 2.321 657 H HA 0.008 4.564 4.556 -0.000 0.000 0.300 657 H C 2.708 178.070 175.328 0.056 0.000 1.087 657 H CA 1.228 57.260 56.048 -0.027 0.000 1.319 657 H CB -0.212 29.596 29.762 0.076 0.000 1.379 657 H HN 0.322 nan 8.280 nan 0.000 0.501 658 I N 0.625 121.316 120.570 0.202 0.000 2.493 658 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 658 I C 2.760 178.952 176.117 0.125 0.000 1.160 658 I CA 0.663 62.072 61.300 0.181 0.000 1.445 658 I CB -0.296 37.792 38.000 0.147 0.000 1.086 658 I HN 0.143 nan 8.210 nan 0.000 0.433 659 A N 1.189 124.039 122.820 0.049 0.000 1.877 659 A HA -0.224 4.095 4.320 -0.000 0.000 0.216 659 A C 2.353 179.943 177.584 0.010 0.000 1.186 659 A CA 1.613 53.656 52.037 0.011 0.000 0.620 659 A CB -0.424 18.550 19.000 -0.044 0.000 0.822 659 A HN 0.292 nan 8.150 nan 0.000 0.443 660 K N -0.451 119.916 120.400 -0.054 0.000 2.057 660 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 660 K C 1.946 178.635 176.600 0.150 0.000 1.049 660 K CA 1.295 57.540 56.287 -0.069 0.000 0.931 660 K CB -0.443 31.774 32.500 -0.471 0.000 0.714 660 K HN 0.469 nan 8.250 nan 0.000 0.440 661 L N 0.670 122.059 121.223 0.276 0.000 1.990 661 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 661 L C 2.624 179.638 176.870 0.240 0.000 1.072 661 L CA 1.541 56.582 54.840 0.335 0.000 0.755 661 L CB -0.416 41.839 42.059 0.326 0.000 0.889 661 L HN 0.294 nan 8.230 nan 0.000 0.432 662 M N -1.136 118.581 119.600 0.194 0.000 2.200 662 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 662 M C 2.488 178.894 176.300 0.176 0.000 1.066 662 M CA 1.493 56.899 55.300 0.178 0.000 1.127 662 M CB -0.608 32.077 32.600 0.141 0.000 1.379 662 M HN 0.303 nan 8.290 nan 0.000 0.420 663 A N 0.336 123.238 122.820 0.137 0.000 2.024 663 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 663 A C 2.167 179.866 177.584 0.193 0.000 1.164 663 A CA 2.124 54.242 52.037 0.136 0.000 0.643 663 A CB -0.953 18.090 19.000 0.070 0.000 0.806 663 A HN 0.486 nan 8.150 nan 0.000 0.451 664 T N -1.175 113.491 114.554 0.187 0.000 3.009 664 T HA -0.010 4.340 4.350 -0.000 0.000 0.258 664 T C 1.733 176.536 174.700 0.171 0.000 1.063 664 T CA 1.030 63.236 62.100 0.177 0.000 1.139 664 T CB -0.027 68.955 68.868 0.191 0.000 0.890 664 T HN 0.671 nan 8.240 nan 0.000 0.471 665 E N -0.052 120.265 120.200 0.195 0.000 2.268 665 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 665 E C 1.679 178.392 176.600 0.187 0.000 0.995 665 E CA 0.552 57.063 56.400 0.184 0.000 0.836 665 E CB -0.036 29.786 29.700 0.203 0.000 0.763 665 E HN 0.596 nan 8.360 nan 0.000 0.491 666 Y N 1.146 121.493 120.300 0.078 0.000 2.286 666 Y HA 0.006 4.556 4.550 -0.000 0.000 0.293 666 Y C 1.232 177.162 175.900 0.049 0.000 1.124 666 Y CA 1.077 59.212 58.100 0.059 0.000 1.178 666 Y CB 0.227 38.718 38.460 0.051 0.000 1.010 666 Y HN -0.069 nan 8.280 nan 0.000 0.536 667 Q N 1.794 121.597 119.800 0.004 0.000 2.294 667 Q HA 0.036 4.376 4.340 -0.000 0.000 0.222 667 Q C -0.871 175.080 176.000 -0.081 0.000 0.903 667 Q CA 0.197 55.950 55.803 -0.083 0.000 0.966 667 Q CB -0.235 28.526 28.738 0.037 0.000 1.091 667 Q HN 0.436 nan 8.270 nan 0.000 0.438 679 Y N 3.177 123.517 120.300 0.066 0.000 2.331 679 Y HA 0.538 5.088 4.550 -0.000 0.000 0.338 679 Y C -0.409 175.546 175.900 0.092 0.000 0.976 679 Y CA 0.081 58.223 58.100 0.071 0.000 1.137 679 Y CB 1.542 40.048 38.460 0.076 0.000 1.172 679 Y HN 0.480 nan 8.280 nan 0.000 0.478 680 T N 4.036 118.487 114.554 -0.171 0.000 2.724 680 T HA 0.022 4.372 4.350 -0.000 0.000 0.274 680 T C 0.636 175.274 174.700 -0.103 0.000 0.984 680 T CA -0.641 61.430 62.100 -0.048 0.000 1.024 680 T CB 0.888 69.771 68.868 0.025 0.000 1.320 680 T HN 0.844 nan 8.240 nan 0.000 0.555 681 W N 1.099 122.340 121.300 -0.098 0.000 2.355 681 W HA -0.170 4.489 4.660 -0.000 0.000 0.309 681 W C 1.793 178.243 176.519 -0.115 0.000 1.206 681 W CA 1.753 59.055 57.345 -0.071 0.000 1.284 681 W CB -0.579 28.877 29.460 -0.007 0.000 1.145 681 W HN 0.567 nan 8.180 nan 0.000 0.502 682 S N 0.858 116.527 115.700 -0.051 0.000 2.419 682 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 682 S C 1.931 176.355 174.600 -0.294 0.000 1.019 682 S CA 1.576 59.677 58.200 -0.165 0.000 0.982 682 S CB -0.357 62.836 63.200 -0.012 0.000 0.789 682 S HN 0.243 nan 8.310 nan 0.000 0.490 683 S N 1.840 117.327 115.700 -0.355 0.000 2.353 683 S HA -0.039 4.431 4.470 -0.000 0.000 0.222 683 S C 1.803 176.122 174.600 -0.469 0.000 1.035 683 S CA 1.106 59.028 58.200 -0.462 0.000 1.025 683 S CB -0.514 62.115 63.200 -0.952 0.000 0.902 683 S HN 0.424 nan 8.310 nan 0.000 0.440 684 L N 0.958 121.833 121.223 -0.580 0.000 2.013 684 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 684 L C 2.380 178.947 176.870 -0.505 0.000 1.073 684 L CA 1.252 55.780 54.840 -0.521 0.000 0.753 684 L CB -0.766 40.907 42.059 -0.644 0.000 0.890 684 L HN 0.286 nan 8.230 nan 0.000 0.432 685 L N -0.352 120.502 121.223 -0.614 0.000 1.994 685 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 685 L C 2.537 179.219 176.870 -0.313 0.000 1.071 685 L CA 1.287 55.825 54.840 -0.504 0.000 0.745 685 L CB -0.622 41.131 42.059 -0.511 0.000 0.892 685 L HN 0.355 nan 8.230 nan 0.000 0.431 686 N N 0.158 118.706 118.700 -0.253 0.000 2.149 686 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 686 N C 1.175 176.605 175.510 -0.134 0.000 1.019 686 N CA 1.277 54.230 53.050 -0.163 0.000 0.857 686 N CB -0.143 38.270 38.487 -0.123 0.000 0.997 686 N HN 0.501 nan 8.380 nan 0.000 0.426 687 E N 0.096 120.209 120.200 -0.145 0.000 2.403 687 E HA 0.141 4.491 4.350 -0.000 0.000 0.187 687 E C 0.510 177.033 176.600 -0.128 0.000 1.073 687 E CA -0.161 56.184 56.400 -0.092 0.000 0.888 687 E CB -0.038 29.646 29.700 -0.027 0.000 1.035 687 E HN 0.263 nan 8.360 nan 0.000 0.471 688 G N 1.960 110.660 108.800 -0.166 0.000 2.356 688 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.296 688 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.296 688 G C 0.668 175.463 174.900 -0.175 0.000 1.022 688 G CA 0.387 45.388 45.100 -0.164 0.000 0.961 688 G HN 0.354 nan 8.290 nan 0.000 0.510 689 L N -1.970 119.119 121.223 -0.225 0.000 2.515 689 L HA 0.305 4.645 4.340 -0.000 0.000 0.223 689 L C 0.760 177.543 176.870 -0.146 0.000 1.079 689 L CA 0.349 55.064 54.840 -0.207 0.000 0.857 689 L CB 0.262 42.148 42.059 -0.289 0.000 1.050 689 L HN 0.175 nan 8.230 nan 0.000 0.476 690 V N -0.426 119.337 119.914 -0.252 0.000 2.925 690 V HA 0.392 4.512 4.120 -0.000 0.000 0.311 690 V C -0.800 175.116 176.094 -0.297 0.000 1.104 690 V CA -0.757 61.385 62.300 -0.264 0.000 0.954 690 V CB 2.963 34.478 31.823 -0.514 0.000 1.022 690 V HN 0.055 nan 8.190 nan 0.000 0.427 691 E N 1.160 121.264 120.200 -0.159 0.000 2.369 691 E HA 0.550 4.900 4.350 -0.000 0.000 0.270 691 E C -1.824 174.768 176.600 -0.014 0.000 0.909 691 E CA -0.774 55.545 56.400 -0.135 0.000 0.775 691 E CB 2.868 32.598 29.700 0.049 0.000 1.270 691 E HN 0.662 nan 8.360 nan 0.000 0.445 692 Y N 1.300 121.626 120.300 0.043 0.000 2.330 692 Y HA 0.499 5.049 4.550 -0.000 0.000 0.336 692 Y C 0.091 175.999 175.900 0.014 0.000 1.036 692 Y CA -0.769 57.378 58.100 0.078 0.000 1.125 692 Y CB 1.184 39.591 38.460 -0.088 0.000 1.194 692 Y HN 0.202 nan 8.280 nan 0.000 0.469 693 I N 4.162 124.882 120.570 0.250 0.000 2.534 693 I HA 0.126 4.296 4.170 -0.000 0.000 0.288 693 I C -0.965 175.247 176.117 0.159 0.000 1.077 693 I CA -0.872 60.498 61.300 0.117 0.000 1.051 693 I CB 1.787 39.785 38.000 -0.003 0.000 1.234 693 I HN 0.669 nan 8.210 nan 0.000 0.425 694 D N 5.543 126.012 120.400 0.116 0.000 2.432 694 D HA 0.305 4.945 4.640 -0.000 0.000 0.258 694 D C 0.957 177.314 176.300 0.094 0.000 1.146 694 D CA -0.463 53.610 54.000 0.121 0.000 1.015 694 D CB 1.505 42.342 40.800 0.061 0.000 1.107 694 D HN 0.502 nan 8.370 nan 0.000 0.529 695 A N 0.221 123.107 122.820 0.110 0.000 1.940 695 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 695 A C 1.979 179.652 177.584 0.148 0.000 1.176 695 A CA 1.984 54.111 52.037 0.150 0.000 0.631 695 A CB -0.842 18.276 19.000 0.196 0.000 0.814 695 A HN 0.654 nan 8.150 nan 0.000 0.446 696 E N -0.137 120.094 120.200 0.050 0.000 2.031 696 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 696 E C 1.982 178.594 176.600 0.019 0.000 0.994 696 E CA 1.708 58.099 56.400 -0.014 0.000 0.800 696 E CB -0.272 29.340 29.700 -0.147 0.000 0.752 696 E HN 0.727 nan 8.360 nan 0.000 0.447 697 E N -0.032 120.182 120.200 0.024 0.000 2.204 697 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 697 E C 1.886 178.488 176.600 0.004 0.000 0.989 697 E CA 0.879 57.290 56.400 0.019 0.000 0.824 697 E CB -0.047 29.661 29.700 0.014 0.000 0.756 697 E HN 0.308 nan 8.360 nan 0.000 0.477 698 E N 0.327 120.539 120.200 0.019 0.000 2.160 698 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 698 E C 1.743 178.356 176.600 0.022 0.000 0.991 698 E CA 1.036 57.443 56.400 0.011 0.000 0.810 698 E CB 0.144 29.877 29.700 0.056 0.000 0.742 698 E HN 0.248 nan 8.360 nan 0.000 0.466 699 E N 0.041 120.271 120.200 0.049 0.000 2.118 699 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 699 E C 2.048 178.662 176.600 0.024 0.000 0.992 699 E CA 1.466 57.895 56.400 0.049 0.000 0.804 699 E CB -0.163 29.568 29.700 0.050 0.000 0.741 699 E HN 0.294 nan 8.360 nan 0.000 0.458 700 S N 0.179 115.890 115.700 0.018 0.000 2.631 700 S HA 0.107 4.577 4.470 -0.000 0.000 0.217 700 S C 1.160 175.780 174.600 0.032 0.000 0.958 700 S CA -0.386 57.825 58.200 0.019 0.000 0.920 700 S CB -0.686 62.525 63.200 0.018 0.000 0.776 700 S HN 0.256 nan 8.310 nan 0.000 0.517 701 I N -2.364 118.224 120.570 0.029 0.000 3.237 701 I HA 0.820 4.990 4.170 -0.000 0.000 0.308 701 I C -1.104 175.058 176.117 0.075 0.000 1.093 701 I CA -1.840 59.502 61.300 0.070 0.000 1.001 701 I CB 1.641 39.664 38.000 0.039 0.000 1.245 701 I HN 0.058 nan 8.210 nan 0.000 0.485 702 L N 2.792 124.102 121.223 0.144 0.000 2.406 702 L HA 0.602 4.942 4.340 -0.000 0.000 0.270 702 L C -1.253 175.792 176.870 0.291 0.000 0.982 702 L CA -0.139 54.797 54.840 0.161 0.000 0.843 702 L CB 1.301 43.429 42.059 0.116 0.000 1.225 702 L HN 0.519 nan 8.230 nan 0.000 0.412 703 I N 4.571 125.260 120.570 0.198 0.000 2.359 703 I HA 0.632 4.802 4.170 -0.000 0.000 0.294 703 I C 0.474 176.621 176.117 0.049 0.000 0.987 703 I CA -0.682 60.709 61.300 0.153 0.000 1.225 703 I CB 1.836 39.871 38.000 0.059 0.000 1.366 703 I HN 0.762 nan 8.210 nan 0.000 0.466 704 A N 5.565 128.232 122.820 -0.254 0.000 2.366 704 A HA 0.342 4.662 4.320 -0.000 0.000 0.272 704 A C 0.729 178.145 177.584 -0.281 0.000 1.135 704 A CA -0.441 51.185 52.037 -0.686 0.000 0.804 704 A CB 0.799 19.023 19.000 -1.294 0.000 1.064 704 A HN 0.840 nan 8.150 nan 0.000 0.499 705 M N 1.274 120.746 119.600 -0.212 0.000 2.064 705 M HA -0.035 4.445 4.480 -0.000 0.000 0.260 705 M C 0.721 176.945 176.300 -0.128 0.000 1.073 705 M CA 1.945 57.170 55.300 -0.126 0.000 1.124 705 M CB -0.409 32.123 32.600 -0.114 0.000 1.326 705 M HN 0.782 nan 8.290 nan 0.000 0.410 706 Q N 0.090 119.801 119.800 -0.149 0.000 2.235 706 Q HA 0.284 4.624 4.340 -0.000 0.000 0.256 706 Q C -1.852 174.065 176.000 -0.139 0.000 0.951 706 Q CA -1.754 53.979 55.803 -0.117 0.000 0.890 706 Q CB 0.631 29.315 28.738 -0.089 0.000 1.279 706 Q HN 0.114 nan 8.270 nan 0.000 0.444 707 P HA -0.175 nan 4.420 nan 0.000 0.225 707 P C -0.241 176.981 177.300 -0.130 0.000 1.148 707 P CA 1.134 64.158 63.100 -0.127 0.000 0.779 707 P CB 0.461 32.086 31.700 -0.126 0.000 0.780 708 E N -0.298 119.837 120.200 -0.107 0.000 2.502 708 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 708 E C 1.096 177.598 176.600 -0.162 0.000 1.062 708 E CA 0.244 56.585 56.400 -0.099 0.000 0.867 708 E CB -0.518 29.143 29.700 -0.065 0.000 0.888 708 E HN 0.250 nan 8.360 nan 0.000 0.510 709 D N 0.069 120.340 120.400 -0.215 0.000 2.324 709 D HA 0.007 4.647 4.640 -0.000 0.000 0.235 709 D C 1.173 177.370 176.300 -0.173 0.000 1.095 709 D CA 0.413 54.248 54.000 -0.274 0.000 0.871 709 D CB 0.393 41.008 40.800 -0.309 0.000 0.906 709 D HN 0.293 nan 8.370 nan 0.000 0.522 710 L N 0.003 121.168 121.223 -0.096 0.000 2.357 710 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 710 L C 0.845 177.763 176.870 0.081 0.000 1.075 710 L CA 0.144 55.052 54.840 0.113 0.000 0.830 710 L CB 0.018 42.155 42.059 0.130 0.000 0.996 710 L HN -0.199 nan 8.230 nan 0.000 0.467 711 E N 2.930 123.113 120.200 -0.029 0.000 2.585 711 E HA -0.010 4.340 4.350 -0.000 0.000 0.252 711 E C -1.937 174.574 176.600 -0.147 0.000 0.981 711 E CA -1.058 55.270 56.400 -0.121 0.000 0.943 711 E CB 0.239 29.897 29.700 -0.071 0.000 0.923 711 E HN 0.134 nan 8.360 nan 0.000 0.486 723 V N 0.511 120.443 119.914 0.031 0.000 2.716 723 V HA 0.218 4.338 4.120 -0.000 0.000 0.304 723 V C 0.727 176.842 176.094 0.034 0.000 1.053 723 V CA -0.688 61.633 62.300 0.035 0.000 0.984 723 V CB 2.026 33.871 31.823 0.037 0.000 1.021 723 V HN 0.143 nan 8.190 nan 0.000 0.467 724 D N 5.213 125.636 120.400 0.038 0.000 2.472 724 D HA 0.015 4.655 4.640 -0.000 0.000 0.248 724 D C -1.327 174.996 176.300 0.038 0.000 1.174 724 D CA -1.117 52.906 54.000 0.038 0.000 0.883 724 D CB 1.479 42.305 40.800 0.044 0.000 1.149 724 D HN 0.357 nan 8.370 nan 0.000 0.488 725 P HA -0.014 nan 4.420 nan 0.000 0.244 725 P C 0.278 177.598 177.300 0.034 0.000 1.211 725 P CA 0.284 63.403 63.100 0.032 0.000 0.760 725 P CB 0.333 32.050 31.700 0.027 0.000 0.961 726 A N -0.541 122.302 122.820 0.039 0.000 2.070 726 A HA 0.137 4.457 4.320 -0.000 0.000 0.202 726 A C 1.194 178.811 177.584 0.054 0.000 1.277 726 A CA 0.160 52.222 52.037 0.042 0.000 0.872 726 A CB -0.129 18.895 19.000 0.040 0.000 0.933 726 A HN 0.072 nan 8.150 nan 0.000 0.475 727 K N 1.123 121.558 120.400 0.059 0.000 2.230 727 K HA 0.193 4.512 4.320 -0.000 0.000 0.253 727 K C 0.195 176.834 176.600 0.066 0.000 1.008 727 K CA -0.292 56.038 56.287 0.072 0.000 0.910 727 K CB 0.372 32.913 32.500 0.070 0.000 0.994 727 K HN 0.567 nan 8.250 nan 0.000 0.495 728 R N 1.602 122.147 120.500 0.074 0.000 2.539 728 R HA 0.222 4.562 4.340 -0.000 0.000 0.275 728 R C -0.219 176.112 176.300 0.052 0.000 1.077 728 R CA -0.447 55.688 56.100 0.059 0.000 1.097 728 R CB 0.108 30.446 30.300 0.063 0.000 1.018 728 R HN 0.406 nan 8.270 nan 0.000 0.483 729 I N 2.328 122.922 120.570 0.041 0.000 2.634 729 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 729 I C 0.622 176.760 176.117 0.035 0.000 1.124 729 I CA -0.018 61.304 61.300 0.036 0.000 1.417 729 I CB 0.556 38.575 38.000 0.030 0.000 1.396 729 I HN 0.551 nan 8.210 nan 0.000 0.571 730 R N 3.762 124.282 120.500 0.032 0.000 2.808 730 R HA 0.624 4.964 4.340 -0.000 0.000 0.272 730 R C -1.470 174.842 176.300 0.020 0.000 0.995 730 R CA -1.009 55.106 56.100 0.024 0.000 0.917 730 R CB 2.211 32.526 30.300 0.025 0.000 1.217 730 R HN 0.303 nan 8.270 nan 0.000 0.471 731 V N 1.754 121.672 119.914 0.006 0.000 2.461 731 V HA 0.151 4.271 4.120 -0.000 0.000 0.275 731 V C 0.514 176.578 176.094 -0.051 0.000 1.047 731 V CA -0.766 61.528 62.300 -0.010 0.000 0.955 731 V CB 1.113 32.929 31.823 -0.011 0.000 0.988 731 V HN 0.936 nan 8.190 nan 0.000 0.471 732 S N 4.179 119.821 115.700 -0.095 0.000 2.560 732 S HA 0.056 4.526 4.470 -0.000 0.000 0.284 732 S C 0.276 174.592 174.600 -0.473 0.000 1.327 732 S CA -0.551 57.559 58.200 -0.150 0.000 1.055 732 S CB 0.011 63.134 63.200 -0.127 0.000 0.868 732 S HN 0.931 nan 8.310 nan 0.000 0.506 733 H N 2.082 120.979 119.070 -0.288 0.000 3.082 733 H HA 0.138 4.694 4.556 -0.000 0.000 0.275 733 H C -0.322 174.878 175.328 -0.212 0.000 1.032 733 H CA -0.239 55.703 56.048 -0.177 0.000 1.477 733 H CB -0.482 29.316 29.762 0.061 0.000 1.520 733 H HN 0.728 nan 8.280 nan 0.000 0.521 734 H N 2.730 121.790 119.070 -0.017 0.000 2.507 734 H HA 0.587 5.143 4.556 -0.000 0.000 0.281 734 H C -0.058 175.197 175.328 -0.121 0.000 1.160 734 H CA -0.211 55.780 56.048 -0.095 0.000 0.981 734 H CB -0.046 29.672 29.762 -0.073 0.000 1.665 734 H HN 0.819 nan 8.280 nan 0.000 0.554 735 A N -0.058 122.708 122.820 -0.091 0.000 2.540 735 A HA 0.508 4.828 4.320 -0.000 0.000 0.297 735 A C 0.055 177.427 177.584 -0.353 0.000 1.056 735 A CA -0.652 51.213 52.037 -0.287 0.000 0.700 735 A CB 1.037 19.725 19.000 -0.521 0.000 1.280 735 A HN 0.140 nan 8.150 nan 0.000 0.398 736 T N 1.018 115.425 114.554 -0.245 0.000 3.380 736 T HA 0.212 4.562 4.350 -0.000 0.000 0.289 736 T C 0.719 175.340 174.700 -0.131 0.000 1.012 736 T CA 0.651 62.677 62.100 -0.124 0.000 0.944 736 T CB -0.301 68.551 68.868 -0.025 0.000 1.172 736 T HN 0.845 nan 8.240 nan 0.000 0.502 737 T N -1.225 113.164 114.554 -0.274 0.000 3.040 737 T HA 0.376 4.726 4.350 -0.000 0.000 0.266 737 T C 0.503 175.147 174.700 -0.093 0.000 1.005 737 T CA -0.539 61.468 62.100 -0.155 0.000 0.906 737 T CB -0.473 68.312 68.868 -0.138 0.000 1.082 737 T HN 0.321 nan 8.240 nan 0.000 0.531 738 F N 3.680 123.653 119.950 0.039 0.000 2.604 738 F HA 0.047 4.574 4.527 -0.000 0.000 0.390 738 F C 2.086 177.901 175.800 0.024 0.000 1.053 738 F CA 0.379 58.403 58.000 0.040 0.000 1.256 738 F CB 0.571 39.593 39.000 0.037 0.000 0.996 738 F HN 0.227 nan 8.300 nan 0.000 0.564 739 T N -1.469 113.248 114.554 0.271 0.000 2.990 739 T HA 0.225 4.574 4.350 -0.000 0.000 0.249 739 T C -0.037 174.562 174.700 -0.168 0.000 1.039 739 T CA 0.160 62.325 62.100 0.109 0.000 1.036 739 T CB 0.018 69.044 68.868 0.263 0.000 0.994 739 T HN 0.580 nan 8.240 nan 0.000 0.489 740 H N -0.777 118.364 119.070 0.119 0.000 2.990 740 H HA 0.728 5.284 4.556 -0.000 0.000 0.336 740 H C -1.346 174.008 175.328 0.044 0.000 1.306 740 H CA -1.051 55.046 56.048 0.082 0.000 1.118 740 H CB 1.693 31.498 29.762 0.072 0.000 1.856 740 H HN 0.337 nan 8.280 nan 0.000 0.538 741 C N 1.282 120.702 119.300 0.200 0.000 2.783 741 C HA 0.401 4.861 4.460 -0.000 0.000 0.312 741 C C -0.872 174.227 174.990 0.181 0.000 1.182 741 C CA -0.623 58.463 59.018 0.113 0.000 1.432 741 C CB 0.930 28.703 27.740 0.056 0.000 1.933 741 C HN 0.753 nan 8.230 nan 0.000 0.473 742 E N 3.691 123.942 120.200 0.085 0.000 2.414 742 E HA 0.082 4.432 4.350 -0.000 0.000 0.263 742 E C 1.063 177.676 176.600 0.022 0.000 1.000 742 E CA 0.308 56.728 56.400 0.033 0.000 0.914 742 E CB 0.829 30.548 29.700 0.031 0.000 0.948 742 E HN 0.680 nan 8.360 nan 0.000 0.444 743 I N 1.403 121.827 120.570 -0.243 0.000 2.202 743 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 743 I C 0.835 176.896 176.117 -0.094 0.000 1.091 743 I CA 1.218 62.266 61.300 -0.420 0.000 1.368 743 I CB -0.041 37.559 38.000 -0.667 0.000 1.058 743 I HN 0.480 nan 8.210 nan 0.000 0.410 744 H N -0.272 118.659 119.070 -0.232 0.000 3.163 744 H HA 0.132 4.688 4.556 -0.000 0.000 0.322 744 H C -2.087 173.200 175.328 -0.069 0.000 1.047 744 H CA -1.018 54.932 56.048 -0.164 0.000 1.418 744 H CB 1.779 31.309 29.762 -0.386 0.000 2.016 744 H HN -0.264 nan 8.280 nan 0.000 0.454 745 P HA -0.214 nan 4.420 nan 0.000 0.217 745 P C 1.198 178.592 177.300 0.156 0.000 1.148 745 P CA 1.772 64.805 63.100 -0.111 0.000 0.828 745 P CB 0.193 31.660 31.700 -0.388 0.000 0.783 746 S N -1.575 114.489 115.700 0.606 0.000 2.537 746 S HA -0.057 4.413 4.470 -0.000 0.000 0.240 746 S C 1.641 176.402 174.600 0.269 0.000 0.981 746 S CA 0.695 59.240 58.200 0.574 0.000 0.948 746 S CB -0.991 62.583 63.200 0.622 0.000 0.759 746 S HN -0.036 nan 8.310 nan 0.000 0.531 747 M N 1.824 121.504 119.600 0.132 0.000 2.628 747 M HA 0.304 4.784 4.480 -0.000 0.000 0.232 747 M C 1.602 177.822 176.300 -0.133 0.000 1.128 747 M CA 0.067 55.362 55.300 -0.009 0.000 1.040 747 M CB -1.222 31.304 32.600 -0.124 0.000 1.608 747 M HN 0.615 nan 8.290 nan 0.000 0.507 748 I N -2.452 117.994 120.570 -0.206 0.000 3.251 748 I HA 0.041 4.210 4.170 -0.000 0.000 0.277 748 I C 0.582 176.572 176.117 -0.211 0.000 1.268 748 I CA 0.189 61.259 61.300 -0.383 0.000 1.449 748 I CB -0.210 37.371 38.000 -0.698 0.000 1.083 748 I HN -0.009 nan 8.210 nan 0.000 0.464 749 L N 1.423 122.592 121.223 -0.090 0.000 2.439 749 L HA 0.635 4.975 4.340 -0.000 0.000 0.259 749 L C 0.845 177.684 176.870 -0.052 0.000 1.129 749 L CA -0.510 54.294 54.840 -0.061 0.000 0.803 749 L CB 0.738 42.784 42.059 -0.021 0.000 1.161 749 L HN 0.098 nan 8.230 nan 0.000 0.462 750 G N -0.410 108.357 108.800 -0.056 0.000 2.613 750 G HA2 0.421 4.381 3.960 -0.000 0.000 0.303 750 G HA3 0.421 4.381 3.960 -0.000 0.000 0.303 750 G C 0.854 175.732 174.900 -0.037 0.000 1.312 750 G CA -0.587 44.485 45.100 -0.046 0.000 1.036 750 G HN 0.369 nan 8.290 nan 0.000 0.513 751 V N 0.805 120.699 119.914 -0.034 0.000 2.317 751 V HA -0.262 3.858 4.120 -0.000 0.000 0.251 751 V C 3.202 179.264 176.094 -0.054 0.000 1.065 751 V CA 2.860 65.136 62.300 -0.039 0.000 1.049 751 V CB -1.116 30.683 31.823 -0.041 0.000 0.651 751 V HN 0.814 nan 8.190 nan 0.000 0.450 752 A N -0.048 122.739 122.820 -0.054 0.000 1.832 752 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 752 A C 2.437 179.965 177.584 -0.092 0.000 1.200 752 A CA 1.994 53.993 52.037 -0.063 0.000 0.610 752 A CB -1.063 17.909 19.000 -0.047 0.000 0.842 752 A HN 0.597 nan 8.150 nan 0.000 0.444 753 A N -0.931 121.839 122.820 -0.083 0.000 2.024 753 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 753 A C 2.303 179.819 177.584 -0.113 0.000 1.164 753 A CA 1.915 53.895 52.037 -0.094 0.000 0.643 753 A CB -0.881 18.074 19.000 -0.074 0.000 0.806 753 A HN 0.425 nan 8.150 nan 0.000 0.451 754 S N -0.998 114.644 115.700 -0.097 0.000 2.537 754 S HA -0.003 4.467 4.470 -0.000 0.000 0.240 754 S C 1.303 175.792 174.600 -0.186 0.000 0.981 754 S CA 0.971 59.113 58.200 -0.097 0.000 0.948 754 S CB -0.434 62.738 63.200 -0.047 0.000 0.759 754 S HN 0.574 nan 8.310 nan 0.000 0.531 755 I N 0.264 120.688 120.570 -0.242 0.000 4.057 755 I HA 0.225 4.395 4.170 -0.000 0.000 0.334 755 I C -0.085 175.811 176.117 -0.369 0.000 1.308 755 I CA 0.082 61.140 61.300 -0.402 0.000 1.125 755 I CB 0.346 38.047 38.000 -0.498 0.000 1.034 755 I HN 0.098 nan 8.210 nan 0.000 0.401 756 I N 4.382 124.789 120.570 -0.272 0.000 2.496 756 I HA 0.144 4.314 4.170 -0.000 0.000 0.285 756 I C -2.084 173.886 176.117 -0.245 0.000 1.080 756 I CA -1.648 59.488 61.300 -0.272 0.000 1.404 756 I CB 0.442 38.321 38.000 -0.201 0.000 1.403 756 I HN -0.178 nan 8.210 nan 0.000 0.539 757 P HA 0.164 nan 4.420 nan 0.000 0.285 757 P C -0.347 176.991 177.300 0.064 0.000 1.259 757 P CA -0.276 62.720 63.100 -0.172 0.000 0.794 757 P CB 0.507 32.160 31.700 -0.078 0.000 0.940 758 F N 1.411 121.352 119.950 -0.015 0.000 3.004 758 F HA -0.183 4.344 4.527 -0.000 0.000 0.264 758 F C -0.844 175.008 175.800 0.087 0.000 0.979 758 F CA -0.269 57.765 58.000 0.057 0.000 0.896 758 F CB -1.729 37.288 39.000 0.028 0.000 0.813 758 F HN 0.363 nan 8.300 nan 0.000 0.804 759 P HA -0.200 nan 4.420 nan 0.000 0.218 759 P C 1.131 178.447 177.300 0.028 0.000 1.148 759 P CA 2.097 65.216 63.100 0.033 0.000 0.822 759 P CB -0.030 31.626 31.700 -0.073 0.000 0.784 760 D N -1.852 118.519 120.400 -0.049 0.000 2.390 760 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 760 D C 1.075 177.279 176.300 -0.160 0.000 1.040 760 D CA 0.752 54.694 54.000 -0.097 0.000 0.923 760 D CB -1.246 39.419 40.800 -0.225 0.000 0.886 760 D HN 0.369 nan 8.370 nan 0.000 0.532 761 H N -1.023 118.081 119.070 0.056 0.000 2.923 761 H HA 0.238 4.794 4.556 -0.000 0.000 0.268 761 H C -0.058 175.287 175.328 0.027 0.000 1.148 761 H CA -0.505 55.560 56.048 0.029 0.000 1.146 761 H CB 0.606 30.360 29.762 -0.014 0.000 1.607 761 H HN 0.003 nan 8.280 nan 0.000 0.566 762 N N 1.407 120.181 118.700 0.124 0.000 2.443 762 N HA 0.060 4.800 4.740 -0.000 0.000 0.293 762 N C -0.046 175.485 175.510 0.035 0.000 1.159 762 N CA -0.378 52.726 53.050 0.091 0.000 0.904 762 N CB 2.102 40.660 38.487 0.119 0.000 1.214 762 N HN 0.267 nan 8.380 nan 0.000 0.513 763 Q N 0.496 120.307 119.800 0.018 0.000 2.337 763 Q HA 0.040 4.380 4.340 -0.000 0.000 0.270 763 Q C 0.991 176.967 176.000 -0.040 0.000 1.002 763 Q CA 0.115 55.913 55.803 -0.010 0.000 0.888 763 Q CB 0.724 29.455 28.738 -0.012 0.000 1.222 763 Q HN 0.654 nan 8.270 nan 0.000 0.400 764 S N 4.593 120.267 115.700 -0.043 0.000 2.378 764 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 764 S C -0.846 173.668 174.600 -0.144 0.000 1.052 764 S CA 1.964 60.125 58.200 -0.065 0.000 1.084 764 S CB -0.806 62.368 63.200 -0.043 0.000 0.950 764 S HN 0.822 nan 8.310 nan 0.000 0.440 765 P HA -0.091 nan 4.420 nan 0.000 0.218 765 P C 1.111 177.965 177.300 -0.744 0.000 1.149 765 P CA 1.020 63.875 63.100 -0.407 0.000 0.817 765 P CB -0.219 31.290 31.700 -0.319 0.000 0.785 766 R N -0.402 119.818 120.500 -0.467 0.000 2.189 766 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 766 R C 1.857 178.038 176.300 -0.198 0.000 1.092 766 R CA 0.591 56.485 56.100 -0.343 0.000 0.989 766 R CB -0.975 29.300 30.300 -0.041 0.000 0.876 766 R HN 0.294 nan 8.270 nan 0.000 0.457 767 N N -0.026 118.573 118.700 -0.168 0.000 2.270 767 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 767 N C 1.454 176.900 175.510 -0.106 0.000 1.016 767 N CA 1.236 54.227 53.050 -0.098 0.000 0.870 767 N CB -0.136 38.306 38.487 -0.074 0.000 0.979 767 N HN 0.131 nan 8.380 nan 0.000 0.431 768 T N 0.523 114.972 114.554 -0.175 0.000 2.777 768 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 768 T C 1.733 176.456 174.700 0.039 0.000 1.040 768 T CA 0.904 62.944 62.100 -0.101 0.000 1.141 768 T CB -0.414 68.371 68.868 -0.139 0.000 0.868 768 T HN 0.371 nan 8.240 nan 0.000 0.444 769 Y N 1.103 121.393 120.300 -0.016 0.000 2.165 769 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 769 Y C 3.012 178.897 175.900 -0.025 0.000 1.155 769 Y CA 0.760 58.851 58.100 -0.016 0.000 1.164 769 Y CB -0.187 38.271 38.460 -0.003 0.000 0.978 769 Y HN 0.181 nan 8.280 nan 0.000 0.513 770 Q N 0.717 120.588 119.800 0.119 0.000 2.079 770 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 770 Q C 2.066 178.067 176.000 0.003 0.000 0.974 770 Q CA 2.056 57.878 55.803 0.032 0.000 0.840 770 Q CB -0.444 28.272 28.738 -0.038 0.000 0.898 770 Q HN 0.202 nan 8.270 nan 0.000 0.430 771 S N -0.050 115.646 115.700 -0.007 0.000 2.469 771 S HA -0.032 4.438 4.470 -0.000 0.000 0.238 771 S C 1.622 176.220 174.600 -0.003 0.000 0.998 771 S CA 0.780 58.968 58.200 -0.020 0.000 0.957 771 S CB -0.258 62.921 63.200 -0.034 0.000 0.764 771 S HN 0.563 nan 8.310 nan 0.000 0.514 772 A N 1.444 124.276 122.820 0.021 0.000 1.881 772 A HA 0.237 4.557 4.320 -0.000 0.000 0.210 772 A C 2.041 179.626 177.584 0.001 0.000 1.239 772 A CA 0.501 52.546 52.037 0.014 0.000 0.629 772 A CB -0.529 18.491 19.000 0.034 0.000 0.906 772 A HN 0.384 nan 8.150 nan 0.000 0.460 773 M N 0.031 119.636 119.600 0.009 0.000 2.149 773 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 773 M C 2.218 178.513 176.300 -0.008 0.000 1.064 773 M CA 1.420 56.714 55.300 -0.011 0.000 1.102 773 M CB -0.671 31.928 32.600 -0.002 0.000 1.369 773 M HN 0.542 nan 8.290 nan 0.000 0.408 774 G N 0.805 109.611 108.800 0.010 0.000 2.507 774 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.221 774 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.221 774 G C 1.524 176.457 174.900 0.054 0.000 1.119 774 G CA 1.044 46.167 45.100 0.039 0.000 0.751 774 G HN 0.442 nan 8.290 nan 0.000 0.574 775 K N -0.154 120.266 120.400 0.034 0.000 2.439 775 K HA 0.031 4.351 4.320 -0.000 0.000 0.197 775 K C 2.006 178.593 176.600 -0.021 0.000 1.041 775 K CA 0.608 56.935 56.287 0.067 0.000 0.970 775 K CB 0.131 32.670 32.500 0.065 0.000 0.773 775 K HN 0.372 nan 8.250 nan 0.000 0.479 776 Q N -0.149 119.599 119.800 -0.086 0.000 2.198 776 Q HA 0.236 4.576 4.340 -0.000 0.000 0.209 776 Q C -0.345 175.589 176.000 -0.111 0.000 0.848 776 Q CA -0.471 55.219 55.803 -0.187 0.000 0.974 776 Q CB 1.241 29.876 28.738 -0.171 0.000 1.115 776 Q HN 0.171 nan 8.270 nan 0.000 0.494 777 A N 0.763 123.572 122.820 -0.019 0.000 2.271 777 A HA 0.628 4.948 4.320 -0.000 0.000 0.288 777 A C -0.292 177.326 177.584 0.057 0.000 1.094 777 A CA -0.422 51.627 52.037 0.020 0.000 0.828 777 A CB 0.543 19.594 19.000 0.086 0.000 1.091 777 A HN 0.246 nan 8.150 nan 0.000 0.493 778 M N 0.897 120.539 119.600 0.070 0.000 2.300 778 M HA 0.541 5.021 4.480 -0.000 0.000 0.348 778 M C 0.734 177.106 176.300 0.119 0.000 1.151 778 M CA 0.227 55.591 55.300 0.106 0.000 1.046 778 M CB 1.956 34.618 32.600 0.104 0.000 1.647 778 M HN 0.931 nan 8.290 nan 0.000 0.451 779 G N 1.257 110.130 108.800 0.122 0.000 3.400 779 G HA2 0.566 4.526 3.960 -0.000 0.000 0.167 779 G HA3 0.566 4.526 3.960 -0.000 0.000 0.167 779 G C -1.380 173.545 174.900 0.041 0.000 1.196 779 G CA -0.363 44.776 45.100 0.065 0.000 1.174 779 G HN 0.456 nan 8.290 nan 0.000 0.681 780 V N 2.367 122.282 119.914 0.001 0.000 2.670 780 V HA 0.206 4.326 4.120 -0.000 0.000 0.258 780 V C 0.791 176.821 176.094 -0.107 0.000 0.906 780 V CA -0.406 61.837 62.300 -0.095 0.000 0.887 780 V CB 0.200 31.955 31.823 -0.113 0.000 1.059 780 V HN 0.754 nan 8.190 nan 0.000 0.484 781 F N 2.178 122.166 119.950 0.064 0.000 2.147 781 F HA 0.010 4.537 4.527 -0.000 0.000 0.301 781 F C 0.437 176.328 175.800 0.152 0.000 1.084 781 F CA 1.466 59.530 58.000 0.107 0.000 1.268 781 F CB -0.213 38.822 39.000 0.059 0.000 1.009 781 F HN 0.236 nan 8.300 nan 0.000 0.486 782 L N -0.763 120.114 121.223 -0.578 0.000 2.568 782 L HA 0.232 4.572 4.340 -0.000 0.000 0.257 782 L C 1.025 177.726 176.870 -0.282 0.000 1.024 782 L CA -0.167 54.524 54.840 -0.249 0.000 0.854 782 L CB 2.104 44.125 42.059 -0.063 0.000 1.460 782 L HN 0.032 nan 8.230 nan 0.000 0.409 783 T N -3.062 111.418 114.554 -0.123 0.000 3.129 783 T HA -0.016 4.334 4.350 -0.000 0.000 0.251 783 T C 0.720 175.285 174.700 -0.223 0.000 1.117 783 T CA 0.597 62.625 62.100 -0.120 0.000 1.034 783 T CB -0.362 68.523 68.868 0.029 0.000 0.968 783 T HN 0.632 nan 8.240 nan 0.000 0.526 784 N N 0.945 119.519 118.700 -0.210 0.000 2.389 784 N HA 0.039 4.779 4.740 -0.000 0.000 0.260 784 N C 0.933 176.308 175.510 -0.226 0.000 1.191 784 N CA -0.699 52.225 53.050 -0.209 0.000 0.885 784 N CB -0.643 37.787 38.487 -0.095 0.000 1.162 784 N HN 0.614 nan 8.380 nan 0.000 0.512 785 Y N -0.550 119.591 120.300 -0.266 0.000 2.352 785 Y HA 0.115 4.665 4.550 -0.000 0.000 0.292 785 Y C 1.721 177.465 175.900 -0.260 0.000 1.136 785 Y CA 0.609 58.545 58.100 -0.273 0.000 1.227 785 Y CB -0.879 37.296 38.460 -0.475 0.000 0.991 785 Y HN 0.058 nan 8.280 nan 0.000 0.545 786 N N 0.868 119.293 118.700 -0.459 0.000 2.520 786 N HA -0.081 4.659 4.740 -0.000 0.000 0.185 786 N C 1.154 176.579 175.510 -0.142 0.000 1.068 786 N CA 1.082 53.971 53.050 -0.269 0.000 0.911 786 N CB 0.154 38.420 38.487 -0.369 0.000 0.961 786 N HN 0.419 nan 8.380 nan 0.000 0.446 787 V N 0.140 119.982 119.914 -0.120 0.000 3.523 787 V HA 0.168 4.288 4.120 -0.000 0.000 0.255 787 V C 0.778 176.864 176.094 -0.014 0.000 1.226 787 V CA 0.145 62.411 62.300 -0.057 0.000 1.092 787 V CB 0.153 31.944 31.823 -0.054 0.000 0.817 787 V HN 0.113 nan 8.190 nan 0.000 0.458 788 R N 0.804 121.309 120.500 0.009 0.000 2.490 788 R HA 0.369 4.709 4.340 -0.000 0.000 0.280 788 R C -0.115 176.204 176.300 0.033 0.000 1.077 788 R CA 0.008 56.135 56.100 0.045 0.000 1.065 788 R CB 0.451 30.817 30.300 0.109 0.000 1.003 788 R HN 0.114 nan 8.270 nan 0.000 0.470 789 M N 3.566 123.188 119.600 0.036 0.000 3.231 789 M HA 0.125 4.604 4.480 -0.000 0.000 0.231 789 M C -1.008 175.310 176.300 0.030 0.000 1.136 789 M CA -0.677 54.646 55.300 0.038 0.000 0.990 789 M CB -0.292 32.341 32.600 0.055 0.000 1.291 789 M HN 0.614 nan 8.290 nan 0.000 0.565 790 D N -1.273 119.130 120.400 0.006 0.000 2.312 790 D HA 0.322 4.962 4.640 -0.000 0.000 0.248 790 D C 1.071 177.341 176.300 -0.051 0.000 1.086 790 D CA -0.508 53.473 54.000 -0.030 0.000 0.948 790 D CB 0.891 41.643 40.800 -0.082 0.000 1.162 790 D HN 0.051 nan 8.370 nan 0.000 0.446 791 T N 0.344 114.859 114.554 -0.064 0.000 2.531 791 T HA -0.201 4.149 4.350 -0.000 0.000 0.261 791 T C 0.804 175.433 174.700 -0.118 0.000 1.141 791 T CA 1.220 63.268 62.100 -0.087 0.000 1.176 791 T CB -0.303 68.522 68.868 -0.072 0.000 0.863 791 T HN 0.442 nan 8.240 nan 0.000 0.424 792 M N -0.235 119.297 119.600 -0.113 0.000 2.530 792 M HA 0.637 5.117 4.480 -0.000 0.000 0.307 792 M C -1.247 174.977 176.300 -0.126 0.000 1.161 792 M CA -0.882 54.339 55.300 -0.133 0.000 0.903 792 M CB 2.650 35.244 32.600 -0.009 0.000 1.711 792 M HN 0.273 nan 8.290 nan 0.000 0.451 793 A N 2.283 125.041 122.820 -0.104 0.000 2.566 793 A HA 0.703 5.023 4.320 -0.000 0.000 0.297 793 A C -1.731 175.968 177.584 0.193 0.000 1.059 793 A CA -0.892 51.164 52.037 0.033 0.000 0.691 793 A CB 1.582 20.651 19.000 0.115 0.000 1.282 793 A HN 0.868 nan 8.150 nan 0.000 0.401 794 N N 1.393 120.244 118.700 0.252 0.000 2.491 794 N HA 0.484 5.224 4.740 -0.000 0.000 0.274 794 N C -1.744 173.887 175.510 0.201 0.000 1.023 794 N CA -0.247 52.957 53.050 0.256 0.000 0.902 794 N CB 1.778 40.399 38.487 0.224 0.000 1.267 794 N HN 0.453 nan 8.380 nan 0.000 0.503 795 I N 2.544 123.184 120.570 0.117 0.000 2.355 795 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 795 I C -0.098 176.047 176.117 0.046 0.000 0.999 795 I CA -0.620 60.654 61.300 -0.043 0.000 1.163 795 I CB 1.348 39.079 38.000 -0.447 0.000 1.316 795 I HN 0.317 nan 8.210 nan 0.000 0.454 796 L N 7.400 128.663 121.223 0.066 0.000 2.477 796 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 796 L C 0.737 177.657 176.870 0.084 0.000 1.157 796 L CA 0.699 55.612 54.840 0.121 0.000 0.889 796 L CB -0.109 42.015 42.059 0.109 0.000 1.158 796 L HN 0.488 nan 8.230 nan 0.000 0.473 797 Y N 4.661 124.901 120.300 -0.101 0.000 2.040 797 Y HA -0.262 4.287 4.550 -0.000 0.000 0.275 797 Y C 0.544 176.124 175.900 -0.534 0.000 1.171 797 Y CA 2.097 59.995 58.100 -0.336 0.000 1.123 797 Y CB -0.396 37.846 38.460 -0.363 0.000 0.963 797 Y HN 0.546 nan 8.280 nan 0.000 0.493 798 Y N -0.272 120.131 120.300 0.172 0.000 2.638 798 Y HA 0.358 4.908 4.550 -0.000 0.000 0.367 798 Y C -2.331 173.573 175.900 0.007 0.000 1.001 798 Y CA -3.029 55.107 58.100 0.061 0.000 1.133 798 Y CB 0.128 38.610 38.460 0.037 0.000 1.199 798 Y HN -0.069 nan 8.280 nan 0.000 0.642 799 P HA -0.002 nan 4.420 nan 0.000 0.265 799 P C -0.388 176.949 177.300 0.062 0.000 1.187 799 P CA 0.403 63.534 63.100 0.051 0.000 0.766 799 P CB 0.721 32.417 31.700 -0.007 0.000 0.820 800 Q N 1.372 121.224 119.800 0.087 0.000 2.433 800 Q HA 0.344 4.684 4.340 -0.000 0.000 0.279 800 Q C -0.317 175.770 176.000 0.144 0.000 1.105 800 Q CA -1.161 54.709 55.803 0.111 0.000 0.815 800 Q CB 2.336 31.155 28.738 0.134 0.000 1.403 800 Q HN 0.380 nan 8.270 nan 0.000 0.435 801 K N 0.962 121.392 120.400 0.049 0.000 2.211 801 K HA 0.445 4.765 4.320 -0.000 0.000 0.275 801 K C -2.495 174.050 176.600 -0.092 0.000 1.024 801 K CA -1.811 54.453 56.287 -0.038 0.000 0.887 801 K CB 0.848 33.310 32.500 -0.065 0.000 1.084 801 K HN 0.198 nan 8.250 nan 0.000 0.463 802 P HA -0.075 nan 4.420 nan 0.000 0.261 802 P C 0.593 177.744 177.300 -0.249 0.000 1.183 802 P CA 0.082 62.816 63.100 -0.609 0.000 0.761 802 P CB 0.747 31.795 31.700 -1.087 0.000 0.785 803 L N 2.501 123.650 121.223 -0.122 0.000 2.129 803 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 803 L C 1.599 178.400 176.870 -0.116 0.000 1.087 803 L CA 1.771 56.558 54.840 -0.089 0.000 0.757 803 L CB -0.648 41.381 42.059 -0.050 0.000 0.896 803 L HN 0.526 nan 8.230 nan 0.000 0.434 804 G N -0.450 108.264 108.800 -0.142 0.000 2.603 804 G HA2 0.435 4.395 3.960 -0.000 0.000 0.324 804 G HA3 0.435 4.395 3.960 -0.000 0.000 0.324 804 G C -0.015 174.737 174.900 -0.247 0.000 1.178 804 G CA -0.143 44.860 45.100 -0.161 0.000 1.023 804 G HN 0.110 nan 8.290 nan 0.000 0.482 805 T N -0.736 113.664 114.554 -0.257 0.000 2.892 805 T HA 0.797 5.147 4.350 -0.000 0.000 0.280 805 T C 0.111 174.611 174.700 -0.334 0.000 1.004 805 T CA -0.596 61.331 62.100 -0.289 0.000 0.950 805 T CB 2.131 70.858 68.868 -0.235 0.000 1.309 805 T HN 0.249 nan 8.240 nan 0.000 0.592 806 T N -0.512 113.842 114.554 -0.334 0.000 2.906 806 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 806 T C 0.907 175.370 174.700 -0.395 0.000 1.075 806 T CA -0.868 61.020 62.100 -0.354 0.000 1.005 806 T CB 1.880 70.562 68.868 -0.310 0.000 1.136 806 T HN 0.472 nan 8.240 nan 0.000 0.498 807 R N 1.051 121.219 120.500 -0.554 0.000 2.148 807 R HA 0.092 4.432 4.340 -0.000 0.000 0.223 807 R C 2.183 178.172 176.300 -0.519 0.000 1.088 807 R CA 1.166 56.747 56.100 -0.865 0.000 0.985 807 R CB -1.084 27.982 30.300 -2.057 0.000 0.880 807 R HN 0.649 nan 8.270 nan 0.000 0.451 808 A N 0.841 123.530 122.820 -0.218 0.000 1.930 808 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 808 A C 2.243 179.845 177.584 0.030 0.000 1.175 808 A CA 1.065 53.210 52.037 0.180 0.000 0.627 808 A CB -0.402 18.698 19.000 0.168 0.000 0.815 808 A HN 0.187 nan 8.150 nan 0.000 0.443 809 M N -0.535 118.980 119.600 -0.143 0.000 2.192 809 M HA -0.278 4.202 4.480 -0.000 0.000 0.259 809 M C 2.063 178.269 176.300 -0.156 0.000 1.071 809 M CA 2.183 57.394 55.300 -0.148 0.000 1.082 809 M CB -0.233 32.246 32.600 -0.200 0.000 1.373 809 M HN 0.687 nan 8.290 nan 0.000 0.408 810 E N -0.428 119.579 120.200 -0.322 0.000 2.070 810 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 810 E C 1.407 177.721 176.600 -0.478 0.000 1.004 810 E CA 1.996 58.109 56.400 -0.478 0.000 0.805 810 E CB -0.183 29.055 29.700 -0.769 0.000 0.744 810 E HN 0.708 nan 8.360 nan 0.000 0.451 811 Y N -0.300 119.967 120.300 -0.054 0.000 2.544 811 Y HA 0.090 4.639 4.550 -0.000 0.000 0.286 811 Y C 1.794 177.601 175.900 -0.154 0.000 1.141 811 Y CA 0.165 58.170 58.100 -0.159 0.000 1.299 811 Y CB 0.120 38.288 38.460 -0.488 0.000 1.030 811 Y HN 0.028 nan 8.280 nan 0.000 0.543 812 L N 0.031 121.261 121.223 0.010 0.000 2.591 812 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 812 L C 0.571 177.543 176.870 0.170 0.000 1.133 812 L CA 0.211 55.102 54.840 0.085 0.000 0.880 812 L CB -0.108 41.990 42.059 0.065 0.000 1.033 812 L HN 0.049 nan 8.230 nan 0.000 0.450 813 K N -1.274 119.153 120.400 0.046 0.000 3.088 813 K HA -0.278 4.042 4.320 -0.000 0.000 0.273 813 K C 0.816 177.322 176.600 -0.156 0.000 1.111 813 K CA 0.750 56.976 56.287 -0.102 0.000 0.803 813 K CB -2.398 29.938 32.500 -0.273 0.000 1.226 813 K HN 0.245 nan 8.250 nan 0.000 0.485 814 F N 1.618 121.479 119.950 -0.149 0.000 2.113 814 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 814 F C 2.334 178.036 175.800 -0.164 0.000 1.103 814 F CA 1.585 59.506 58.000 -0.131 0.000 1.248 814 F CB 0.041 38.974 39.000 -0.110 0.000 0.999 814 F HN 0.090 nan 8.300 nan 0.000 0.475 815 R N -0.165 120.313 120.500 -0.036 0.000 2.193 815 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 815 R C 1.667 177.860 176.300 -0.178 0.000 1.110 815 R CA 1.429 57.465 56.100 -0.107 0.000 0.988 815 R CB -0.384 29.871 30.300 -0.076 0.000 0.871 815 R HN 0.311 nan 8.270 nan 0.000 0.458 816 E N 0.322 120.374 120.200 -0.247 0.000 2.102 816 E HA 0.075 4.425 4.350 -0.000 0.000 0.190 816 E C 0.419 176.762 176.600 -0.429 0.000 0.971 816 E CA 0.761 56.978 56.400 -0.306 0.000 0.821 816 E CB 0.388 29.845 29.700 -0.405 0.000 0.777 816 E HN 0.150 nan 8.360 nan 0.000 0.460 817 L N 2.212 123.104 121.223 -0.552 0.000 2.637 817 L HA 0.355 4.695 4.340 -0.000 0.000 0.241 817 L C -2.361 174.203 176.870 -0.510 0.000 1.398 817 L CA -1.692 52.841 54.840 -0.512 0.000 0.895 817 L CB 0.890 42.547 42.059 -0.670 0.000 1.183 817 L HN -0.057 nan 8.230 nan 0.000 0.497 818 P HA 0.098 nan 4.420 nan 0.000 0.272 818 P C -0.283 176.811 177.300 -0.343 0.000 1.230 818 P CA -0.261 62.425 63.100 -0.690 0.000 0.788 818 P CB 1.672 33.156 31.700 -0.359 0.000 0.949 819 A N 1.018 123.698 122.820 -0.233 0.000 3.248 819 A HA 0.672 4.992 4.320 -0.000 0.000 0.315 819 A C 0.276 177.956 177.584 0.160 0.000 0.974 819 A CA 0.035 52.110 52.037 0.065 0.000 0.939 819 A CB -0.447 18.647 19.000 0.156 0.000 1.061 819 A HN 0.804 nan 8.150 nan 0.000 0.481 820 G N -0.425 108.418 108.800 0.071 0.000 2.324 820 G HA2 0.463 4.423 3.960 -0.000 0.000 0.293 820 G HA3 0.463 4.423 3.960 -0.000 0.000 0.293 820 G C -1.712 173.010 174.900 -0.297 0.000 1.297 820 G CA -0.674 44.300 45.100 -0.210 0.000 0.853 820 G HN 0.397 nan 8.290 nan 0.000 0.535 821 Q N -0.395 119.169 119.800 -0.392 0.000 2.389 821 Q HA 0.382 4.722 4.340 -0.000 0.000 0.277 821 Q C -0.893 175.047 176.000 -0.099 0.000 1.082 821 Q CA -1.018 54.645 55.803 -0.232 0.000 0.810 821 Q CB 2.339 30.792 28.738 -0.474 0.000 1.374 821 Q HN 0.457 nan 8.270 nan 0.000 0.422 822 N N 1.310 120.068 118.700 0.096 0.000 2.448 822 N HA 0.254 4.994 4.740 -0.000 0.000 0.250 822 N C -1.082 174.445 175.510 0.028 0.000 1.136 822 N CA 0.089 53.234 53.050 0.158 0.000 0.953 822 N CB 0.973 39.547 38.487 0.144 0.000 1.251 822 N HN 0.506 nan 8.380 nan 0.000 0.502 823 A N 2.961 125.818 122.820 0.062 0.000 2.304 823 A HA 0.446 4.766 4.320 -0.000 0.000 0.301 823 A C 0.444 177.991 177.584 -0.060 0.000 1.132 823 A CA -0.635 51.396 52.037 -0.010 0.000 0.819 823 A CB 0.727 19.751 19.000 0.040 0.000 1.094 823 A HN 0.482 nan 8.150 nan 0.000 0.492 824 I N 2.659 123.147 120.570 -0.138 0.000 2.436 824 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 824 I C -0.230 175.734 176.117 -0.256 0.000 1.083 824 I CA 0.287 61.414 61.300 -0.288 0.000 1.372 824 I CB 0.144 37.955 38.000 -0.315 0.000 1.408 824 I HN 0.195 nan 8.210 nan 0.000 0.516 825 V N 6.351 126.104 119.914 -0.267 0.000 2.417 825 V HA 0.645 4.765 4.120 -0.000 0.000 0.291 825 V C 0.461 176.548 176.094 -0.011 0.000 1.024 825 V CA -0.712 61.530 62.300 -0.097 0.000 0.861 825 V CB 1.650 33.503 31.823 0.049 0.000 0.985 825 V HN 0.866 nan 8.190 nan 0.000 0.436 826 A N 5.833 128.746 122.820 0.156 0.000 2.312 826 A HA 0.841 5.161 4.320 -0.000 0.000 0.326 826 A C -0.498 177.212 177.584 0.209 0.000 1.172 826 A CA -0.541 51.687 52.037 0.319 0.000 0.821 826 A CB 0.615 19.831 19.000 0.360 0.000 1.166 826 A HN 0.797 nan 8.150 nan 0.000 0.493 827 I N 2.364 123.084 120.570 0.250 0.000 2.361 827 I HA 0.512 4.682 4.170 -0.000 0.000 0.282 827 I C 0.359 176.584 176.117 0.180 0.000 1.075 827 I CA 0.229 61.654 61.300 0.207 0.000 1.205 827 I CB 0.744 38.891 38.000 0.244 0.000 1.406 827 I HN 0.721 nan 8.210 nan 0.000 0.481 828 A N 4.841 127.748 122.820 0.145 0.000 2.587 828 A HA 0.688 5.008 4.320 -0.000 0.000 0.293 828 A C -1.141 176.542 177.584 0.165 0.000 1.087 828 A CA -0.471 51.655 52.037 0.147 0.000 0.692 828 A CB 1.428 20.515 19.000 0.144 0.000 1.291 828 A HN 0.594 nan 8.150 nan 0.000 0.407 829 C N 1.336 120.737 119.300 0.169 0.000 2.285 829 C HA 0.657 5.117 4.460 -0.000 0.000 0.335 829 C C 0.344 175.475 174.990 0.234 0.000 1.267 829 C CA -0.092 59.034 59.018 0.180 0.000 1.762 829 C CB -0.960 26.870 27.740 0.150 0.000 2.365 829 C HN 0.844 nan 8.230 nan 0.000 0.527 830 Y N 2.103 122.459 120.300 0.093 0.000 2.986 830 Y HA 0.229 4.779 4.550 -0.000 0.000 0.266 830 Y C 2.273 178.260 175.900 0.145 0.000 1.419 830 Y CA 0.751 58.913 58.100 0.103 0.000 1.147 830 Y CB -0.372 38.172 38.460 0.140 0.000 1.106 830 Y HN 0.543 nan 8.280 nan 0.000 0.678 831 S N 0.071 115.918 115.700 0.245 0.000 2.547 831 S HA 0.131 4.601 4.470 -0.000 0.000 0.235 831 S C 1.435 176.192 174.600 0.262 0.000 0.980 831 S CA 0.918 59.274 58.200 0.260 0.000 0.941 831 S CB -0.715 62.819 63.200 0.557 0.000 0.763 831 S HN 1.423 nan 8.310 nan 0.000 0.532 832 G N -0.154 108.769 108.800 0.206 0.000 2.141 832 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.242 832 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.242 832 G C 0.091 174.981 174.900 -0.016 0.000 0.982 832 G CA 0.260 45.398 45.100 0.063 0.000 0.662 832 G HN 0.583 nan 8.290 nan 0.000 0.527 833 Y N 1.233 121.574 120.300 0.069 0.000 2.537 833 Y HA 0.261 4.811 4.550 -0.000 0.000 0.303 833 Y C 1.515 177.404 175.900 -0.018 0.000 1.176 833 Y CA 0.480 58.591 58.100 0.018 0.000 1.273 833 Y CB 0.372 38.828 38.460 -0.006 0.000 1.110 833 Y HN 0.492 nan 8.280 nan 0.000 0.518 834 N N -1.444 117.310 118.700 0.090 0.000 2.536 834 N HA 0.070 4.810 4.740 -0.000 0.000 0.286 834 N C -0.556 174.977 175.510 0.039 0.000 1.577 834 N CA -0.185 52.897 53.050 0.055 0.000 0.883 834 N CB -0.206 38.313 38.487 0.054 0.000 1.390 834 N HN 0.263 nan 8.380 nan 0.000 0.491 835 Q N 0.365 120.169 119.800 0.006 0.000 2.237 835 Q HA 0.228 4.568 4.340 -0.000 0.000 0.219 835 Q C -0.307 175.686 176.000 -0.012 0.000 0.999 835 Q CA -0.582 55.214 55.803 -0.011 0.000 0.959 835 Q CB 0.657 29.359 28.738 -0.061 0.000 1.173 835 Q HN 0.121 nan 8.270 nan 0.000 0.527 836 E N 1.871 122.060 120.200 -0.018 0.000 2.183 836 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 836 E C -0.997 175.605 176.600 0.004 0.000 1.364 836 E CA 0.977 57.369 56.400 -0.013 0.000 0.700 836 E CB -1.563 28.119 29.700 -0.030 0.000 1.106 836 E HN 0.754 nan 8.360 nan 0.000 0.347 837 D N -1.459 118.955 120.400 0.023 0.000 2.775 837 D HA -0.164 4.476 4.640 -0.000 0.000 0.235 837 D C -0.024 176.296 176.300 0.033 0.000 1.120 837 D CA 1.485 55.505 54.000 0.033 0.000 0.708 837 D CB -1.351 39.462 40.800 0.022 0.000 1.084 837 D HN 0.507 nan 8.370 nan 0.000 0.434 838 S N -0.768 114.951 115.700 0.032 0.000 2.671 838 S HA 0.862 5.332 4.470 -0.000 0.000 0.299 838 S C -0.157 174.459 174.600 0.026 0.000 1.116 838 S CA -0.906 57.311 58.200 0.028 0.000 0.912 838 S CB 3.189 66.400 63.200 0.019 0.000 1.130 838 S HN 0.302 nan 8.310 nan 0.000 0.501 839 M N 0.427 120.029 119.600 0.003 0.000 2.470 839 M HA 0.624 5.104 4.480 -0.000 0.000 0.285 839 M C -1.784 174.463 176.300 -0.088 0.000 1.213 839 M CA -0.764 54.513 55.300 -0.038 0.000 0.901 839 M CB 1.443 34.000 32.600 -0.072 0.000 1.718 839 M HN 0.546 nan 8.290 nan 0.000 0.469 840 I N 2.962 123.465 120.570 -0.112 0.000 2.365 840 I HA 0.479 4.649 4.170 -0.000 0.000 0.291 840 I C -0.514 175.482 176.117 -0.202 0.000 1.004 840 I CA -0.352 60.832 61.300 -0.193 0.000 1.311 840 I CB 1.634 39.499 38.000 -0.224 0.000 1.401 840 I HN 0.769 nan 8.210 nan 0.000 0.491 841 M N 6.214 125.684 119.600 -0.216 0.000 2.456 841 M HA 0.334 4.814 4.480 -0.000 0.000 0.324 841 M C -0.336 175.892 176.300 -0.120 0.000 1.124 841 M CA -0.720 54.462 55.300 -0.196 0.000 0.959 841 M CB 1.546 33.990 32.600 -0.259 0.000 1.692 841 M HN 0.499 nan 8.290 nan 0.000 0.444 842 N N 3.119 121.774 118.700 -0.075 0.000 2.438 842 N HA -0.066 4.674 4.740 -0.000 0.000 0.267 842 N C 0.275 175.778 175.510 -0.012 0.000 1.222 842 N CA 0.507 53.548 53.050 -0.014 0.000 0.930 842 N CB 1.304 39.788 38.487 -0.006 0.000 1.083 842 N HN 0.766 nan 8.380 nan 0.000 0.476 843 Q N 3.158 122.970 119.800 0.019 0.000 2.079 843 Q HA -0.075 4.264 4.340 -0.000 0.000 0.200 843 Q C 1.323 177.327 176.000 0.006 0.000 0.974 843 Q CA 1.800 57.611 55.803 0.013 0.000 0.840 843 Q CB -0.190 28.571 28.738 0.039 0.000 0.898 843 Q HN 0.674 nan 8.270 nan 0.000 0.430 844 S N -0.149 115.557 115.700 0.011 0.000 2.383 844 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 844 S C 2.090 176.681 174.600 -0.014 0.000 1.030 844 S CA 1.251 59.451 58.200 -0.001 0.000 1.002 844 S CB -0.473 62.727 63.200 0.001 0.000 0.829 844 S HN 0.395 nan 8.310 nan 0.000 0.467 845 S N 1.667 117.356 115.700 -0.018 0.000 2.356 845 S HA 0.022 4.492 4.470 -0.000 0.000 0.223 845 S C 1.820 176.400 174.600 -0.033 0.000 1.032 845 S CA 1.004 59.183 58.200 -0.034 0.000 1.005 845 S CB -0.442 62.734 63.200 -0.040 0.000 0.867 845 S HN 0.383 nan 8.310 nan 0.000 0.449 846 I N 2.056 122.614 120.570 -0.020 0.000 2.315 846 I HA -0.230 3.939 4.170 -0.000 0.000 0.251 846 I C 1.787 177.894 176.117 -0.017 0.000 1.125 846 I CA 1.127 62.421 61.300 -0.010 0.000 1.392 846 I CB -0.335 37.662 38.000 -0.005 0.000 1.065 846 I HN 0.176 nan 8.210 nan 0.000 0.424 847 D N 0.553 120.943 120.400 -0.017 0.000 2.183 847 D HA -0.104 4.536 4.640 -0.000 0.000 0.203 847 D C 1.927 178.217 176.300 -0.018 0.000 0.969 847 D CA 0.989 54.980 54.000 -0.015 0.000 0.842 847 D CB -0.207 40.586 40.800 -0.011 0.000 0.957 847 D HN 0.325 nan 8.370 nan 0.000 0.484 848 R N -0.239 120.243 120.500 -0.031 0.000 2.346 848 R HA 0.248 4.588 4.340 -0.000 0.000 0.225 848 R C 1.101 177.369 176.300 -0.053 0.000 0.987 848 R CA 0.457 56.529 56.100 -0.046 0.000 1.106 848 R CB 0.215 30.474 30.300 -0.068 0.000 1.090 848 R HN 0.155 nan 8.270 nan 0.000 0.502 849 G N 0.852 109.642 108.800 -0.018 0.000 2.175 849 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 849 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 849 G C -0.018 174.895 174.900 0.022 0.000 0.982 849 G CA -0.293 44.828 45.100 0.035 0.000 0.641 849 G HN 0.279 nan 8.290 nan 0.000 0.527 850 L N 0.542 121.735 121.223 -0.049 0.000 2.559 850 L HA 0.541 4.881 4.340 -0.000 0.000 0.274 850 L C 1.310 178.169 176.870 -0.018 0.000 1.205 850 L CA 1.120 55.885 54.840 -0.125 0.000 0.907 850 L CB -0.653 41.334 42.059 -0.119 0.000 1.153 850 L HN 0.637 nan 8.230 nan 0.000 0.490 851 F N 2.208 122.195 119.950 0.063 0.000 3.021 851 F HA -0.321 4.206 4.527 -0.000 0.000 0.294 851 F C 1.157 177.007 175.800 0.083 0.000 0.761 851 F CA 0.842 58.914 58.000 0.120 0.000 1.102 851 F CB -1.069 38.046 39.000 0.192 0.000 1.380 851 F HN 0.600 nan 8.300 nan 0.000 0.387 852 R N 0.941 121.488 120.500 0.077 0.000 2.694 852 R HA 0.496 4.836 4.340 -0.000 0.000 0.268 852 R C 0.538 176.819 176.300 -0.031 0.000 1.061 852 R CA 0.680 56.692 56.100 -0.147 0.000 1.133 852 R CB 1.122 31.032 30.300 -0.650 0.000 1.020 852 R HN 0.254 nan 8.270 nan 0.000 0.475 853 S N 1.324 117.045 115.700 0.034 0.000 2.570 853 S HA 0.485 4.955 4.470 -0.000 0.000 0.270 853 S C -0.720 174.064 174.600 0.307 0.000 1.149 853 S CA -1.087 57.277 58.200 0.273 0.000 0.837 853 S CB 1.199 64.513 63.200 0.189 0.000 1.124 853 S HN 0.375 nan 8.310 nan 0.000 0.465 854 L N 1.571 122.958 121.223 0.274 0.000 2.360 854 L HA 0.710 5.050 4.340 -0.000 0.000 0.271 854 L C -0.991 175.936 176.870 0.094 0.000 1.057 854 L CA -0.788 54.112 54.840 0.100 0.000 0.803 854 L CB 1.138 43.212 42.059 0.025 0.000 1.207 854 L HN 0.776 nan 8.230 nan 0.000 0.445 855 F N 2.359 122.140 119.950 -0.282 0.000 2.671 855 F HA 0.538 5.065 4.527 -0.000 0.000 0.332 855 F C -1.400 174.213 175.800 -0.312 0.000 1.189 855 F CA -0.758 57.150 58.000 -0.154 0.000 0.988 855 F CB 0.911 39.860 39.000 -0.085 0.000 1.258 855 F HN 0.062 nan 8.300 nan 0.000 0.471 856 F N 5.000 124.558 119.950 -0.653 0.000 2.450 856 F HA 0.698 5.224 4.527 -0.000 0.000 0.332 856 F C -0.089 175.276 175.800 -0.724 0.000 1.093 856 F CA -0.810 56.891 58.000 -0.499 0.000 1.003 856 F CB 1.903 40.782 39.000 -0.201 0.000 1.151 856 F HN 0.472 nan 8.300 nan 0.000 0.474 857 R N 1.325 121.670 120.500 -0.258 0.000 2.533 857 R HA 0.626 4.966 4.340 -0.000 0.000 0.288 857 R C -1.603 174.688 176.300 -0.015 0.000 1.039 857 R CA -0.484 55.483 56.100 -0.221 0.000 0.909 857 R CB 1.573 31.760 30.300 -0.189 0.000 1.195 857 R HN 0.783 nan 8.270 nan 0.000 0.438 858 S N 3.062 118.726 115.700 -0.060 0.000 2.482 858 S HA 0.563 5.032 4.470 -0.000 0.000 0.303 858 S C -1.008 173.592 174.600 0.001 0.000 1.091 858 S CA -0.719 57.535 58.200 0.088 0.000 1.057 858 S CB 1.033 64.282 63.200 0.081 0.000 1.031 858 S HN 0.443 nan 8.310 nan 0.000 0.485 859 Y N 1.624 121.947 120.300 0.037 0.000 2.457 859 Y HA 0.698 5.248 4.550 -0.000 0.000 0.333 859 Y C 0.345 176.270 175.900 0.042 0.000 1.119 859 Y CA -1.449 56.675 58.100 0.039 0.000 1.143 859 Y CB 1.463 39.943 38.460 0.034 0.000 1.230 859 Y HN 0.638 nan 8.280 nan 0.000 0.469 860 M N 2.480 122.192 119.600 0.186 0.000 2.457 860 M HA 0.453 4.933 4.480 -0.000 0.000 0.300 860 M C -2.228 174.101 176.300 0.050 0.000 1.141 860 M CA -0.269 55.098 55.300 0.113 0.000 0.901 860 M CB 2.255 34.932 32.600 0.129 0.000 1.687 860 M HN 0.840 nan 8.290 nan 0.000 0.449 861 D N 1.649 122.034 120.400 -0.024 0.000 2.609 861 D HA 0.524 5.164 4.640 -0.000 0.000 0.239 861 D C -1.244 175.002 176.300 -0.090 0.000 1.229 861 D CA 0.061 54.055 54.000 -0.011 0.000 0.808 861 D CB 2.103 42.999 40.800 0.161 0.000 1.448 861 D HN 0.734 nan 8.370 nan 0.000 0.433 862 Q N 0.157 119.907 119.800 -0.082 0.000 3.240 862 Q HA 0.616 4.956 4.340 -0.000 0.000 0.302 862 Q C -0.262 175.685 176.000 -0.089 0.000 0.991 862 Q CA -0.740 55.007 55.803 -0.094 0.000 0.728 862 Q CB 1.633 30.210 28.738 -0.269 0.000 2.946 862 Q HN 0.335 nan 8.270 nan 0.000 0.348 863 E N 0.228 120.364 120.200 -0.107 0.000 2.417 863 E HA 0.242 4.592 4.350 -0.000 0.000 0.200 863 E C -1.230 175.316 176.600 -0.090 0.000 0.791 863 E CA -0.881 55.420 56.400 -0.165 0.000 0.911 863 E CB 0.736 30.348 29.700 -0.147 0.000 1.936 863 E HN 0.380 nan 8.360 nan 0.000 0.395 864 K N 1.204 121.556 120.400 -0.080 0.000 2.457 864 K HA 0.027 4.347 4.320 -0.000 0.000 0.269 864 K C -0.031 176.554 176.600 -0.026 0.000 0.969 864 K CA 0.542 56.799 56.287 -0.050 0.000 0.921 864 K CB 0.719 33.186 32.500 -0.055 0.000 0.940 864 K HN 0.222 nan 8.250 nan 0.000 0.517 865 K N 0.153 120.552 120.400 -0.002 0.000 1.841 865 K HA 0.174 4.494 4.320 -0.000 0.000 0.259 865 K C -0.393 176.209 176.600 0.003 0.000 0.999 865 K CA -0.884 55.432 56.287 0.048 0.000 1.053 865 K CB 0.280 32.865 32.500 0.142 0.000 2.249 865 K HN 0.453 nan 8.250 nan 0.000 0.894 866 Y N 1.056 121.363 120.300 0.012 0.000 3.028 866 Y HA 0.200 4.750 4.550 -0.000 0.000 0.381 866 Y C 0.565 176.467 175.900 0.004 0.000 1.139 866 Y CA -0.276 57.830 58.100 0.010 0.000 2.013 866 Y CB -0.266 38.200 38.460 0.010 0.000 2.146 866 Y HN 0.364 nan 8.280 nan 0.000 0.412 867 G N 1.430 110.270 108.800 0.067 0.000 2.605 867 G HA2 0.361 4.321 3.960 -0.000 0.000 0.304 867 G HA3 0.361 4.321 3.960 -0.000 0.000 0.304 867 G C -0.576 174.332 174.900 0.013 0.000 1.333 867 G CA -0.912 44.214 45.100 0.043 0.000 0.973 867 G HN 0.318 nan 8.290 nan 0.000 0.507 868 M N 3.510 123.121 119.600 0.019 0.000 2.327 868 M HA 0.124 4.604 4.480 -0.000 0.000 0.353 868 M C 1.330 177.628 176.300 -0.003 0.000 1.539 868 M CA 1.070 56.374 55.300 0.007 0.000 1.039 868 M CB 0.197 32.805 32.600 0.014 0.000 1.967 868 M HN 1.255 nan 8.290 nan 0.000 0.459 869 S N 3.023 118.716 115.700 -0.011 0.000 3.319 869 S HA -0.191 4.279 4.470 -0.000 0.000 0.319 869 S C -0.117 174.473 174.600 -0.017 0.000 1.236 869 S CA 1.297 59.489 58.200 -0.014 0.000 0.964 869 S CB -2.522 60.672 63.200 -0.010 0.000 1.040 869 S HN 0.804 nan 8.310 nan 0.000 0.620 870 I N 1.963 122.523 120.570 -0.017 0.000 2.620 870 I HA 0.266 4.436 4.170 -0.000 0.000 0.280 870 I C 0.587 176.685 176.117 -0.032 0.000 1.143 870 I CA -0.342 60.946 61.300 -0.021 0.000 1.163 870 I CB 0.707 38.701 38.000 -0.011 0.000 1.461 870 I HN 0.194 nan 8.210 nan 0.000 0.530 871 T N 2.221 116.749 114.554 -0.043 0.000 2.880 871 T HA 0.470 4.819 4.350 -0.000 0.000 0.279 871 T C -0.032 174.617 174.700 -0.086 0.000 0.990 871 T CA -0.669 61.394 62.100 -0.062 0.000 0.938 871 T CB 1.486 70.318 68.868 -0.059 0.000 1.206 871 T HN 0.339 nan 8.240 nan 0.000 0.573 872 E N -0.106 120.016 120.200 -0.131 0.000 2.288 872 E HA 0.567 4.917 4.350 -0.000 0.000 0.268 872 E C -1.278 175.168 176.600 -0.257 0.000 0.885 872 E CA -0.814 55.471 56.400 -0.191 0.000 0.767 872 E CB 2.105 31.661 29.700 -0.240 0.000 1.220 872 E HN 0.447 nan 8.360 nan 0.000 0.427 873 T N 1.667 116.069 114.554 -0.253 0.000 2.879 873 T HA 0.346 4.696 4.350 -0.000 0.000 0.290 873 T C -0.767 173.813 174.700 -0.200 0.000 0.993 873 T CA -0.672 61.299 62.100 -0.215 0.000 0.975 873 T CB 0.287 69.107 68.868 -0.079 0.000 0.981 873 T HN 0.239 nan 8.240 nan 0.000 0.439 874 F N 2.963 122.917 119.950 0.008 0.000 2.494 874 F HA 0.424 4.951 4.527 0.000 0.000 0.369 874 F C 1.236 177.046 175.800 0.016 0.000 1.098 874 F CA 0.205 58.214 58.000 0.015 0.000 1.154 874 F CB 0.219 39.227 39.000 0.014 0.000 1.103 874 F HN 0.559 nan 8.300 nan 0.000 0.549 875 E N 1.071 121.375 120.200 0.173 0.000 2.388 875 E HA 0.178 4.528 4.350 -0.000 0.000 0.269 875 E C -1.245 175.406 176.600 0.086 0.000 1.172 875 E CA -1.224 55.240 56.400 0.107 0.000 0.887 875 E CB 1.419 31.153 29.700 0.057 0.000 1.544 875 E HN 0.294 nan 8.360 nan 0.000 0.451 876 K N 2.646 123.074 120.400 0.046 0.000 2.263 876 K HA 0.303 4.623 4.320 -0.000 0.000 0.282 876 K C -2.330 174.221 176.600 -0.082 0.000 1.089 876 K CA -1.515 54.779 56.287 0.011 0.000 0.907 876 K CB 0.816 33.328 32.500 0.019 0.000 1.148 876 K HN 0.162 nan 8.250 nan 0.000 0.470 877 P HA 0.169 nan 4.420 nan 0.000 0.290 877 P C -1.017 176.088 177.300 -0.325 0.000 1.276 877 P CA -0.490 62.464 63.100 -0.243 0.000 0.808 877 P CB 1.227 32.769 31.700 -0.264 0.000 0.966 878 Q N 1.817 121.496 119.800 -0.202 0.000 2.248 878 Q HA 0.236 4.576 4.340 -0.000 0.000 0.324 878 Q C -0.791 175.138 176.000 -0.120 0.000 0.867 878 Q CA -0.434 55.267 55.803 -0.171 0.000 1.101 878 Q CB 0.492 29.162 28.738 -0.114 0.000 1.328 878 Q HN 0.427 nan 8.270 nan 0.000 0.408 879 R N 0.012 120.438 120.500 -0.125 0.000 1.168 879 R HA -0.095 4.245 4.340 -0.000 0.000 0.418 879 R C -1.236 175.027 176.300 -0.062 0.000 1.353 879 R CA 0.851 56.900 56.100 -0.086 0.000 1.272 879 R CB -1.118 29.139 30.300 -0.073 0.000 3.598 879 R HN 0.278 nan 8.270 nan 0.000 0.493 880 T N 2.903 117.425 114.554 -0.052 0.000 3.842 880 T HA 0.224 4.574 4.350 -0.000 0.000 0.336 880 T C 0.224 174.904 174.700 -0.033 0.000 0.900 880 T CA -0.809 61.268 62.100 -0.040 0.000 1.022 880 T CB 1.042 69.887 68.868 -0.039 0.000 1.068 880 T HN 0.707 nan 8.240 nan 0.000 0.464 881 N N 0.591 119.275 118.700 -0.028 0.000 2.895 881 N HA -0.215 4.525 4.740 -0.000 0.000 0.237 881 N C 0.929 176.425 175.510 -0.023 0.000 0.934 881 N CA 2.396 55.432 53.050 -0.023 0.000 0.984 881 N CB -0.962 37.512 38.487 -0.020 0.000 1.089 881 N HN 0.676 nan 8.380 nan 0.000 0.604 882 T N -0.481 114.056 114.554 -0.028 0.000 3.057 882 T HA 0.335 4.685 4.350 -0.000 0.000 0.254 882 T C 1.109 175.791 174.700 -0.031 0.000 0.965 882 T CA 0.363 62.446 62.100 -0.027 0.000 0.978 882 T CB 0.860 69.711 68.868 -0.029 0.000 1.169 882 T HN 0.234 nan 8.240 nan 0.000 0.489 883 L N 0.510 121.710 121.223 -0.040 0.000 4.429 883 L HA -0.194 4.146 4.340 -0.000 0.000 0.422 883 L C 0.252 177.093 176.870 -0.047 0.000 1.149 883 L CA 0.352 55.165 54.840 -0.045 0.000 0.972 883 L CB -1.424 40.614 42.059 -0.036 0.000 2.059 883 L HN 0.233 nan 8.230 nan 0.000 0.870 884 R N 1.085 121.560 120.500 -0.042 0.000 2.248 884 R HA 0.551 4.891 4.340 -0.000 0.000 0.337 884 R C 0.243 176.524 176.300 -0.030 0.000 1.106 884 R CA 0.242 56.322 56.100 -0.034 0.000 0.959 884 R CB 0.513 30.799 30.300 -0.022 0.000 1.075 884 R HN 0.273 nan 8.270 nan 0.000 0.480 885 M N 1.101 120.685 119.600 -0.027 0.000 3.262 885 M HA 0.518 4.998 4.480 -0.000 0.000 0.297 885 M C -0.645 175.676 176.300 0.035 0.000 1.356 885 M CA -1.090 54.227 55.300 0.028 0.000 0.757 885 M CB 1.419 34.012 32.600 -0.011 0.000 1.851 885 M HN 0.051 nan 8.290 nan 0.000 0.428 886 K N 0.306 120.779 120.400 0.121 0.000 2.443 886 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 886 K C -0.214 176.389 176.600 0.005 0.000 0.972 886 K CA -0.584 55.715 56.287 0.021 0.000 0.833 886 K CB 1.142 33.674 32.500 0.053 0.000 1.317 886 K HN 0.606 nan 8.250 nan 0.000 0.441 887 H N 0.622 119.727 119.070 0.059 0.000 2.711 887 H HA 0.005 4.561 4.556 0.000 0.000 0.288 887 H C 0.838 176.178 175.328 0.020 0.000 1.102 887 H CA 0.540 56.614 56.048 0.043 0.000 1.212 887 H CB -0.339 29.440 29.762 0.028 0.000 1.282 887 H HN 0.576 nan 8.280 nan 0.000 0.642 888 G N -0.530 108.312 108.800 0.071 0.000 2.736 888 G HA2 0.324 4.284 3.960 -0.000 0.000 0.229 888 G HA3 0.324 4.284 3.960 -0.000 0.000 0.229 888 G C -0.590 174.302 174.900 -0.013 0.000 1.380 888 G CA -0.391 44.692 45.100 -0.028 0.000 1.040 888 G HN 0.220 nan 8.290 nan 0.000 0.568 889 T N 0.351 114.847 114.554 -0.096 0.000 3.078 889 T HA 0.247 4.597 4.350 -0.000 0.000 0.328 889 T C -0.689 173.993 174.700 -0.030 0.000 0.987 889 T CA -0.256 61.850 62.100 0.011 0.000 1.049 889 T CB 0.835 69.718 68.868 0.024 0.000 1.011 889 T HN 0.359 nan 8.240 nan 0.000 0.463 890 Y N 0.537 120.841 120.300 0.007 0.000 2.519 890 Y HA 0.079 4.629 4.550 0.000 0.000 0.311 890 Y C 1.756 177.660 175.900 0.005 0.000 1.207 890 Y CA -0.558 57.545 58.100 0.005 0.000 1.289 890 Y CB -0.412 38.051 38.460 0.005 0.000 1.059 890 Y HN 0.549 nan 8.280 nan 0.000 0.507 891 D N 0.178 120.655 120.400 0.129 0.000 2.392 891 D HA -0.077 4.563 4.640 -0.000 0.000 0.228 891 D C 1.239 177.570 176.300 0.052 0.000 1.003 891 D CA 0.842 54.890 54.000 0.080 0.000 0.917 891 D CB 0.171 41.005 40.800 0.058 0.000 0.890 891 D HN 0.445 nan 8.370 nan 0.000 0.532 892 K N -0.485 119.940 120.400 0.042 0.000 2.402 892 K HA 0.199 4.519 4.320 -0.000 0.000 0.203 892 K C 0.574 177.189 176.600 0.024 0.000 1.077 892 K CA -0.121 56.178 56.287 0.021 0.000 1.051 892 K CB 1.162 33.660 32.500 -0.003 0.000 0.907 892 K HN 0.002 nan 8.250 nan 0.000 0.554 893 L N 1.860 123.112 121.223 0.048 0.000 2.397 893 L HA 0.138 4.478 4.340 -0.000 0.000 0.271 893 L C 0.379 177.279 176.870 0.050 0.000 1.148 893 L CA -0.274 54.597 54.840 0.053 0.000 0.825 893 L CB 0.407 42.527 42.059 0.102 0.000 1.117 893 L HN 0.026 nan 8.230 nan 0.000 0.456 894 D N 0.811 121.233 120.400 0.037 0.000 2.423 894 D HA 0.036 4.676 4.640 -0.000 0.000 0.255 894 D C 0.429 176.754 176.300 0.041 0.000 1.174 894 D CA -0.334 53.684 54.000 0.032 0.000 1.008 894 D CB 1.114 41.926 40.800 0.019 0.000 1.101 894 D HN 0.504 nan 8.370 nan 0.000 0.516 895 D N -0.319 120.102 120.400 0.035 0.000 2.221 895 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 895 D C 1.119 177.450 176.300 0.051 0.000 0.982 895 D CA 0.910 54.933 54.000 0.038 0.000 0.857 895 D CB 0.039 40.855 40.800 0.028 0.000 0.934 895 D HN 0.388 nan 8.370 nan 0.000 0.475 896 D N -0.533 119.895 120.400 0.046 0.000 2.352 896 D HA 0.020 4.660 4.640 -0.000 0.000 0.232 896 D C 1.234 177.586 176.300 0.086 0.000 1.055 896 D CA 0.672 54.706 54.000 0.057 0.000 0.891 896 D CB -0.536 40.279 40.800 0.025 0.000 0.897 896 D HN 0.182 nan 8.370 nan 0.000 0.529 897 G N 0.328 109.183 108.800 0.092 0.000 2.246 897 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.273 897 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.273 897 G C -0.198 174.750 174.900 0.081 0.000 1.055 897 G CA 0.441 45.619 45.100 0.130 0.000 0.851 897 G HN 0.454 nan 8.290 nan 0.000 0.500 898 L N -0.701 120.537 121.223 0.025 0.000 2.526 898 L HA 0.496 4.836 4.340 -0.000 0.000 0.263 898 L C 0.606 177.467 176.870 -0.015 0.000 0.943 898 L CA -1.180 53.647 54.840 -0.022 0.000 0.859 898 L CB 1.792 43.803 42.059 -0.080 0.000 1.313 898 L HN 0.062 nan 8.230 nan 0.000 0.406 899 I N 1.994 122.550 120.570 -0.023 0.000 2.779 899 I HA 0.380 4.550 4.170 -0.000 0.000 0.285 899 I C 0.700 176.807 176.117 -0.016 0.000 1.134 899 I CA 0.063 61.352 61.300 -0.017 0.000 1.398 899 I CB 1.129 39.112 38.000 -0.029 0.000 1.404 899 I HN 0.683 nan 8.210 nan 0.000 0.587 900 A N 6.172 128.989 122.820 -0.006 0.000 2.320 900 A HA 0.710 5.029 4.320 -0.000 0.000 0.334 900 A C -2.489 175.098 177.584 0.006 0.000 1.147 900 A CA -1.854 50.182 52.037 -0.001 0.000 0.820 900 A CB 0.554 19.555 19.000 0.001 0.000 1.218 900 A HN 0.414 nan 8.150 nan 0.000 0.482 901 P HA 0.211 nan 4.420 nan 0.000 0.264 901 P C 1.102 178.414 177.300 0.020 0.000 1.179 901 P CA 2.245 65.358 63.100 0.022 0.000 0.763 901 P CB 0.521 32.237 31.700 0.027 0.000 0.806 902 G N 0.504 109.319 108.800 0.025 0.000 2.308 902 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.221 902 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.221 902 G C 0.073 174.983 174.900 0.018 0.000 1.032 902 G CA -0.046 45.067 45.100 0.022 0.000 0.623 902 G HN 0.565 nan 8.290 nan 0.000 0.506 903 V N 2.385 122.307 119.914 0.013 0.000 2.655 903 V HA 0.388 4.508 4.120 -0.000 0.000 0.300 903 V C 1.125 177.224 176.094 0.008 0.000 1.044 903 V CA 0.327 62.633 62.300 0.009 0.000 1.095 903 V CB 1.301 33.126 31.823 0.003 0.000 0.952 903 V HN 0.590 nan 8.190 nan 0.000 0.485 904 R N 4.122 124.626 120.500 0.008 0.000 2.234 904 R HA 0.554 4.894 4.340 -0.000 0.000 0.324 904 R C -0.732 175.569 176.300 0.002 0.000 1.054 904 R CA -0.395 55.710 56.100 0.008 0.000 0.912 904 R CB 1.072 31.378 30.300 0.011 0.000 1.030 904 R HN 0.701 nan 8.270 nan 0.000 0.455 905 V N 1.620 121.534 119.914 -0.000 0.000 2.715 905 V HA 0.832 4.952 4.120 -0.000 0.000 0.310 905 V C -0.264 175.831 176.094 0.001 0.000 1.054 905 V CA -0.372 61.922 62.300 -0.011 0.000 0.928 905 V CB 1.626 33.431 31.823 -0.031 0.000 1.007 905 V HN 1.011 nan 8.190 nan 0.000 0.437 906 S N 1.873 117.571 115.700 -0.004 0.000 3.287 906 S HA 0.898 5.368 4.470 -0.000 0.000 0.324 906 S C 0.942 175.543 174.600 0.003 0.000 1.205 906 S CA 0.246 58.450 58.200 0.007 0.000 1.020 906 S CB 0.612 63.817 63.200 0.009 0.000 1.398 906 S HN 2.514 nan 8.310 nan 0.000 0.679 907 G N 1.598 110.404 108.800 0.009 0.000 2.672 907 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.356 907 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.356 907 G C 0.094 174.998 174.900 0.008 0.000 1.312 907 G CA 1.077 46.182 45.100 0.008 0.000 0.980 907 G HN 1.002 nan 8.290 nan 0.000 0.540 908 E N 1.243 121.442 120.200 -0.002 0.000 2.685 908 E HA 0.217 4.567 4.350 -0.000 0.000 0.208 908 E C -0.634 175.933 176.600 -0.055 0.000 0.996 908 E CA -0.353 56.042 56.400 -0.010 0.000 1.054 908 E CB 0.282 29.988 29.700 0.010 0.000 1.075 908 E HN 0.463 nan 8.360 nan 0.000 0.460 909 D N 1.286 121.647 120.400 -0.065 0.000 2.474 909 D HA -0.058 4.582 4.640 -0.000 0.000 0.232 909 D C 0.175 176.370 176.300 -0.174 0.000 1.177 909 D CA 0.391 54.325 54.000 -0.110 0.000 0.876 909 D CB 0.980 41.732 40.800 -0.080 0.000 1.208 909 D HN -0.138 nan 8.370 nan 0.000 0.464 910 V N 2.865 122.623 119.914 -0.261 0.000 2.408 910 V HA 0.096 4.216 4.120 -0.000 0.000 0.267 910 V C 1.451 177.428 176.094 -0.196 0.000 1.047 910 V CA -0.209 61.903 62.300 -0.312 0.000 0.937 910 V CB 0.847 32.295 31.823 -0.624 0.000 0.999 910 V HN 0.443 nan 8.190 nan 0.000 0.472 911 I N 4.539 124.994 120.570 -0.192 0.000 2.731 911 I HA 0.188 4.358 4.170 -0.000 0.000 0.260 911 I C 0.484 176.537 176.117 -0.106 0.000 1.138 911 I CA 1.143 62.334 61.300 -0.182 0.000 1.461 911 I CB 0.380 38.178 38.000 -0.337 0.000 1.128 911 I HN 0.440 nan 8.210 nan 0.000 0.438 912 I N 1.322 121.853 120.570 -0.065 0.000 2.521 912 I HA 0.283 4.453 4.170 -0.000 0.000 0.277 912 I C 0.141 176.336 176.117 0.130 0.000 1.054 912 I CA -0.441 60.886 61.300 0.046 0.000 1.117 912 I CB 1.358 39.404 38.000 0.077 0.000 1.217 912 I HN -0.061 nan 8.210 nan 0.000 0.469 913 G N 5.509 114.416 108.800 0.178 0.000 2.349 913 G HA2 0.378 4.338 3.960 -0.000 0.000 0.281 913 G HA3 0.378 4.338 3.960 -0.000 0.000 0.281 913 G C -0.620 174.423 174.900 0.238 0.000 1.182 913 G CA -0.208 45.045 45.100 0.254 0.000 0.899 913 G HN 0.506 nan 8.290 nan 0.000 0.455 914 K N 1.094 121.587 120.400 0.155 0.000 2.469 914 K HA 0.638 4.958 4.320 -0.000 0.000 0.254 914 K C -0.459 176.130 176.600 -0.018 0.000 0.939 914 K CA -0.587 55.704 56.287 0.007 0.000 0.812 914 K CB 2.157 34.595 32.500 -0.103 0.000 1.301 914 K HN 0.597 nan 8.250 nan 0.000 0.433 915 T N -1.216 113.291 114.554 -0.077 0.000 2.926 915 T HA 0.651 5.001 4.350 -0.000 0.000 0.289 915 T C -0.747 173.904 174.700 -0.082 0.000 1.054 915 T CA -0.630 61.432 62.100 -0.063 0.000 1.015 915 T CB 1.760 70.593 68.868 -0.059 0.000 1.167 915 T HN 0.425 nan 8.240 nan 0.000 0.526 916 T N 2.896 117.414 114.554 -0.059 0.000 3.293 916 T HA 0.467 4.817 4.350 -0.000 0.000 0.320 916 T C -3.097 171.579 174.700 -0.041 0.000 0.995 916 T CA -0.880 61.186 62.100 -0.056 0.000 1.041 916 T CB 1.840 70.679 68.868 -0.049 0.000 1.058 916 T HN 0.617 nan 8.240 nan 0.000 0.453 917 P HA 0.501 nan 4.420 nan 0.000 0.291 917 P C -0.772 176.514 177.300 -0.023 0.000 1.340 917 P CA -0.456 62.626 63.100 -0.030 0.000 0.799 917 P CB 0.614 32.296 31.700 -0.030 0.000 0.917 918 I N 2.938 123.497 120.570 -0.019 0.000 2.353 918 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 918 I C 1.118 177.229 176.117 -0.010 0.000 0.992 918 I CA -0.183 61.109 61.300 -0.013 0.000 1.268 918 I CB 1.443 39.436 38.000 -0.011 0.000 1.387 918 I HN 0.364 nan 8.210 nan 0.000 0.478 934 K N 1.615 121.993 120.400 -0.038 0.000 2.394 934 K HA 0.545 4.865 4.320 -0.000 0.000 0.260 934 K C -1.135 175.439 176.600 -0.043 0.000 0.967 934 K CA -0.341 55.919 56.287 -0.046 0.000 0.855 934 K CB 1.691 34.156 32.500 -0.059 0.000 1.101 934 K HN 0.171 nan 8.250 nan 0.000 0.433 935 R N 2.315 122.793 120.500 -0.038 0.000 2.409 935 R HA 0.111 4.451 4.340 -0.000 0.000 0.313 935 R C -0.978 175.310 176.300 -0.021 0.000 0.953 935 R CA -0.911 55.172 56.100 -0.028 0.000 0.849 935 R CB 1.380 31.667 30.300 -0.022 0.000 1.171 935 R HN 0.614 nan 8.270 nan 0.000 0.458 936 D N 1.974 122.368 120.400 -0.009 0.000 2.493 936 D HA 0.046 4.686 4.640 -0.000 0.000 0.240 936 D C -0.365 175.955 176.300 0.034 0.000 1.142 936 D CA 0.652 54.668 54.000 0.026 0.000 0.872 936 D CB 0.828 41.672 40.800 0.073 0.000 1.173 936 D HN 0.621 nan 8.370 nan 0.000 0.467 937 A N 2.760 125.603 122.820 0.039 0.000 3.234 937 A HA 0.390 4.710 4.320 -0.000 0.000 0.247 937 A C -0.261 177.352 177.584 0.049 0.000 0.938 937 A CA -0.516 51.536 52.037 0.024 0.000 1.039 937 A CB -0.128 18.860 19.000 -0.019 0.000 1.197 937 A HN 0.430 nan 8.150 nan 0.000 0.498 938 S N -0.371 115.384 115.700 0.092 0.000 2.549 938 S HA 0.680 5.150 4.470 -0.000 0.000 0.297 938 S C -0.106 174.526 174.600 0.053 0.000 1.115 938 S CA -0.450 57.813 58.200 0.104 0.000 1.059 938 S CB 1.315 64.626 63.200 0.185 0.000 1.046 938 S HN 0.223 nan 8.310 nan 0.000 0.506 939 T N 5.124 119.704 114.554 0.043 0.000 2.727 939 T HA 0.453 4.803 4.350 -0.000 0.000 0.298 939 T C -2.344 172.317 174.700 -0.065 0.000 0.942 939 T CA -0.976 61.138 62.100 0.023 0.000 0.997 939 T CB 0.713 69.618 68.868 0.061 0.000 0.917 939 T HN 0.562 nan 8.240 nan 0.000 0.487 940 P HA 0.350 nan 4.420 nan 0.000 0.282 940 P C -0.232 177.013 177.300 -0.092 0.000 1.259 940 P CA -0.916 62.121 63.100 -0.105 0.000 0.826 940 P CB 1.059 32.718 31.700 -0.069 0.000 1.064 941 L N 2.501 123.646 121.223 -0.130 0.000 2.467 941 L HA 0.138 4.478 4.340 -0.000 0.000 0.270 941 L C 0.907 177.833 176.870 0.094 0.000 1.205 941 L CA 0.080 54.870 54.840 -0.083 0.000 0.828 941 L CB -0.053 41.963 42.059 -0.071 0.000 1.101 941 L HN 0.291 nan 8.230 nan 0.000 0.479 942 R N 2.089 122.734 120.500 0.241 0.000 2.698 942 R HA 0.002 4.342 4.340 -0.000 0.000 0.266 942 R C 1.466 177.839 176.300 0.121 0.000 1.026 942 R CA 0.637 56.858 56.100 0.203 0.000 1.102 942 R CB 0.063 30.501 30.300 0.229 0.000 0.978 942 R HN 0.998 nan 8.270 nan 0.000 0.436 943 S N 1.314 117.073 115.700 0.099 0.000 2.363 943 S HA -0.176 4.294 4.470 -0.000 0.000 0.218 943 S C 1.594 176.227 174.600 0.057 0.000 1.035 943 S CA 1.801 60.043 58.200 0.071 0.000 1.043 943 S CB -0.751 62.493 63.200 0.074 0.000 0.986 943 S HN 0.772 nan 8.310 nan 0.000 0.423 944 T N 0.169 114.755 114.554 0.054 0.000 3.439 944 T HA 0.310 4.660 4.350 -0.000 0.000 0.251 944 T C 0.067 174.777 174.700 0.016 0.000 1.108 944 T CA -0.099 62.013 62.100 0.019 0.000 0.982 944 T CB -0.593 68.268 68.868 -0.012 0.000 1.024 944 T HN 0.542 nan 8.240 nan 0.000 0.573 945 E N 2.175 122.406 120.200 0.051 0.000 2.299 945 E HA 0.546 4.896 4.350 -0.000 0.000 0.265 945 E C -0.684 175.956 176.600 0.068 0.000 0.911 945 E CA -1.155 55.288 56.400 0.070 0.000 0.789 945 E CB 1.217 31.006 29.700 0.147 0.000 1.246 945 E HN 0.479 nan 8.360 nan 0.000 0.427 946 N N 0.708 119.449 118.700 0.068 0.000 2.929 946 N HA 0.299 5.039 4.740 -0.000 0.000 0.245 946 N C -0.925 174.616 175.510 0.052 0.000 1.081 946 N CA -0.479 52.602 53.050 0.051 0.000 1.048 946 N CB 1.311 39.815 38.487 0.028 0.000 1.629 946 N HN 0.616 nan 8.380 nan 0.000 0.598 947 G N 1.078 109.908 108.800 0.049 0.000 3.111 947 G HA2 0.651 4.611 3.960 -0.000 0.000 0.158 947 G HA3 0.651 4.611 3.960 -0.000 0.000 0.158 947 G C -1.436 173.480 174.900 0.025 0.000 1.161 947 G CA -0.580 44.543 45.100 0.038 0.000 1.025 947 G HN 0.486 nan 8.290 nan 0.000 0.619 948 I N 0.531 121.113 120.570 0.020 0.000 2.686 948 I HA 0.346 4.516 4.170 -0.000 0.000 0.295 948 I C -0.386 175.748 176.117 0.028 0.000 1.114 948 I CA -1.033 60.279 61.300 0.020 0.000 1.038 948 I CB 2.699 40.712 38.000 0.021 0.000 1.238 948 I HN 0.150 nan 8.210 nan 0.000 0.420 949 V N 3.948 123.876 119.914 0.024 0.000 2.458 949 V HA -0.077 4.043 4.120 -0.000 0.000 0.287 949 V C 0.679 176.806 176.094 0.056 0.000 1.009 949 V CA 0.552 62.872 62.300 0.033 0.000 1.091 949 V CB 0.577 32.408 31.823 0.013 0.000 0.960 949 V HN 0.855 nan 8.190 nan 0.000 0.476 950 D N 3.137 123.592 120.400 0.091 0.000 2.366 950 D HA 0.135 4.775 4.640 -0.000 0.000 0.205 950 D C 0.594 176.959 176.300 0.109 0.000 1.022 950 D CA 0.498 54.576 54.000 0.129 0.000 0.868 950 D CB 0.490 41.432 40.800 0.236 0.000 0.953 950 D HN 0.724 nan 8.370 nan 0.000 0.514 951 Q N -0.804 119.049 119.800 0.088 0.000 2.805 951 Q HA 0.313 4.653 4.340 -0.000 0.000 0.257 951 Q C -2.195 173.834 176.000 0.049 0.000 0.977 951 Q CA -0.637 55.204 55.803 0.063 0.000 0.901 951 Q CB 1.698 30.476 28.738 0.067 0.000 1.778 951 Q HN -0.099 nan 8.270 nan 0.000 0.441 952 V N 2.811 122.741 119.914 0.026 0.000 2.638 952 V HA 0.648 4.768 4.120 -0.000 0.000 0.306 952 V C -1.032 175.065 176.094 0.004 0.000 1.052 952 V CA -0.683 61.621 62.300 0.008 0.000 0.885 952 V CB 1.905 33.716 31.823 -0.019 0.000 0.999 952 V HN 0.700 nan 8.190 nan 0.000 0.424 953 L N 5.307 126.534 121.223 0.007 0.000 2.362 953 L HA 0.803 5.143 4.340 -0.000 0.000 0.275 953 L C -1.287 175.584 176.870 0.002 0.000 0.998 953 L CA -0.504 54.345 54.840 0.015 0.000 0.820 953 L CB 2.005 44.090 42.059 0.042 0.000 1.270 953 L HN 0.472 nan 8.230 nan 0.000 0.415 954 V N 3.944 123.857 119.914 -0.001 0.000 2.325 954 V HA 0.477 4.597 4.120 -0.000 0.000 0.280 954 V C 0.276 176.396 176.094 0.042 0.000 1.016 954 V CA -0.199 62.098 62.300 -0.006 0.000 0.818 954 V CB 0.985 32.783 31.823 -0.041 0.000 1.019 954 V HN 0.947 nan 8.190 nan 0.000 0.434 955 T N 0.956 115.569 114.554 0.099 0.000 2.718 955 T HA 0.681 5.031 4.350 -0.000 0.000 0.267 955 T C -0.118 174.664 174.700 0.137 0.000 0.957 955 T CA -0.771 61.384 62.100 0.092 0.000 1.025 955 T CB 2.116 71.020 68.868 0.059 0.000 1.355 955 T HN 0.389 nan 8.240 nan 0.000 0.572 956 T N 1.182 115.784 114.554 0.079 0.000 2.876 956 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 956 T C -0.127 174.572 174.700 -0.001 0.000 1.014 956 T CA -0.719 61.436 62.100 0.093 0.000 0.986 956 T CB 1.542 70.443 68.868 0.055 0.000 1.021 956 T HN 0.705 nan 8.240 nan 0.000 0.458 957 N N 0.511 119.237 118.700 0.044 0.000 2.322 957 N HA 0.078 4.817 4.740 -0.000 0.000 0.270 957 N C 1.319 176.811 175.510 -0.029 0.000 1.286 957 N CA -0.578 52.416 53.050 -0.093 0.000 0.948 957 N CB 0.703 39.260 38.487 0.116 0.000 1.164 957 N HN 0.559 nan 8.380 nan 0.000 0.551 958 Q N -0.218 119.567 119.800 -0.025 0.000 2.172 958 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 958 Q C 0.574 176.597 176.000 0.037 0.000 0.964 958 Q CA 1.093 56.904 55.803 0.013 0.000 0.855 958 Q CB 0.078 28.832 28.738 0.026 0.000 0.918 958 Q HN 0.609 nan 8.270 nan 0.000 0.444 959 D N -0.658 119.775 120.400 0.055 0.000 2.120 959 D HA -0.025 4.615 4.640 -0.000 0.000 0.202 959 D C 1.385 177.711 176.300 0.044 0.000 0.972 959 D CA 1.639 55.672 54.000 0.055 0.000 0.837 959 D CB 0.556 41.398 40.800 0.070 0.000 0.989 959 D HN 0.453 nan 8.370 nan 0.000 0.469 960 G N -0.176 108.660 108.800 0.061 0.000 3.272 960 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.219 960 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.219 960 G C 0.270 175.225 174.900 0.093 0.000 0.952 960 G CA -0.441 44.694 45.100 0.058 0.000 0.833 960 G HN 0.137 nan 8.290 nan 0.000 0.608 961 L N 1.264 122.569 121.223 0.137 0.000 2.499 961 L HA 0.251 4.591 4.340 -0.000 0.000 0.281 961 L C 0.710 177.744 176.870 0.274 0.000 1.234 961 L CA 0.326 55.280 54.840 0.189 0.000 0.839 961 L CB 0.335 42.540 42.059 0.243 0.000 1.104 961 L HN 0.008 nan 8.230 nan 0.000 0.500 962 K N 2.161 122.709 120.400 0.247 0.000 2.258 962 K HA 0.397 4.717 4.320 -0.000 0.000 0.284 962 K C -1.001 175.806 176.600 0.345 0.000 1.051 962 K CA -0.324 56.135 56.287 0.286 0.000 0.923 962 K CB 0.876 33.543 32.500 0.279 0.000 1.046 962 K HN 0.163 nan 8.250 nan 0.000 0.474 963 F N 1.611 121.626 119.950 0.109 0.000 2.458 963 F HA 0.385 4.912 4.527 -0.000 0.000 0.330 963 F C -0.137 175.668 175.800 0.009 0.000 1.082 963 F CA -0.772 57.282 58.000 0.091 0.000 0.995 963 F CB 1.709 40.751 39.000 0.070 0.000 1.170 963 F HN 0.073 nan 8.300 nan 0.000 0.478 964 V N 3.465 123.408 119.914 0.049 0.000 2.577 964 V HA 0.434 4.554 4.120 -0.000 0.000 0.303 964 V C -0.879 175.238 176.094 0.038 0.000 1.042 964 V CA -1.151 61.112 62.300 -0.062 0.000 0.872 964 V CB 2.109 33.720 31.823 -0.353 0.000 0.998 964 V HN 0.588 nan 8.190 nan 0.000 0.423 965 K N 3.446 123.882 120.400 0.060 0.000 2.502 965 K HA 0.684 5.004 4.320 -0.000 0.000 0.254 965 K C -1.413 175.237 176.600 0.082 0.000 0.947 965 K CA -0.570 55.779 56.287 0.102 0.000 0.834 965 K CB 2.395 34.971 32.500 0.126 0.000 1.112 965 K HN 0.471 nan 8.250 nan 0.000 0.427 966 V N 3.610 123.595 119.914 0.118 0.000 2.334 966 V HA 0.357 4.477 4.120 -0.000 0.000 0.281 966 V C -0.047 176.161 176.094 0.188 0.000 1.016 966 V CA -0.859 61.502 62.300 0.101 0.000 0.832 966 V CB 1.059 32.892 31.823 0.016 0.000 0.999 966 V HN 0.625 nan 8.190 nan 0.000 0.439 967 R N 4.003 124.593 120.500 0.150 0.000 2.221 967 R HA 0.620 4.960 4.340 -0.000 0.000 0.327 967 R C -1.225 175.182 176.300 0.178 0.000 1.033 967 R CA -0.330 55.881 56.100 0.185 0.000 0.887 967 R CB 1.299 31.704 30.300 0.174 0.000 1.057 967 R HN 0.561 nan 8.270 nan 0.000 0.455 968 V N 5.600 125.627 119.914 0.189 0.000 2.370 968 V HA 0.383 4.503 4.120 -0.000 0.000 0.283 968 V C 0.372 176.490 176.094 0.040 0.000 1.023 968 V CA -0.775 61.599 62.300 0.123 0.000 0.857 968 V CB 1.232 33.144 31.823 0.149 0.000 0.985 968 V HN 0.750 nan 8.190 nan 0.000 0.443 969 R N 2.889 123.377 120.500 -0.019 0.000 2.500 969 R HA 0.719 5.059 4.340 -0.000 0.000 0.275 969 R C -0.774 175.434 176.300 -0.153 0.000 1.051 969 R CA -0.056 55.896 56.100 -0.247 0.000 1.088 969 R CB 1.183 31.369 30.300 -0.190 0.000 1.063 969 R HN 0.856 nan 8.270 nan 0.000 0.511 970 T N 1.329 115.755 114.554 -0.214 0.000 3.291 970 T HA 0.159 4.509 4.350 -0.000 0.000 0.344 970 T C -1.097 173.601 174.700 -0.004 0.000 1.293 970 T CA -0.736 61.353 62.100 -0.019 0.000 1.108 970 T CB 1.819 70.776 68.868 0.148 0.000 1.231 970 T HN 0.447 nan 8.240 nan 0.000 0.474 971 T N 3.363 117.938 114.554 0.035 0.000 2.837 971 T HA 0.466 4.816 4.350 -0.000 0.000 0.285 971 T C -0.259 174.459 174.700 0.030 0.000 0.984 971 T CA -0.671 61.475 62.100 0.077 0.000 1.049 971 T CB 0.625 69.560 68.868 0.111 0.000 0.947 971 T HN 0.371 nan 8.240 nan 0.000 0.472 972 K N 3.651 124.064 120.400 0.021 0.000 2.449 972 K HA 0.458 4.778 4.320 -0.000 0.000 0.257 972 K C -0.527 176.057 176.600 -0.025 0.000 0.989 972 K CA -0.437 55.843 56.287 -0.012 0.000 0.916 972 K CB 1.406 33.891 32.500 -0.024 0.000 1.136 972 K HN 0.522 nan 8.250 nan 0.000 0.439 973 I N 4.343 124.894 120.570 -0.031 0.000 2.428 973 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 973 I C -2.071 174.063 176.117 0.030 0.000 1.019 973 I CA -2.498 58.789 61.300 -0.022 0.000 1.351 973 I CB 0.929 38.908 38.000 -0.034 0.000 1.412 973 I HN 0.227 nan 8.210 nan 0.000 0.513 974 P HA 0.025 nan 4.420 nan 0.000 0.262 974 P C -0.990 176.349 177.300 0.065 0.000 1.182 974 P CA 0.381 63.565 63.100 0.141 0.000 0.761 974 P CB 0.455 32.258 31.700 0.172 0.000 0.795 975 Q N 1.583 121.423 119.800 0.067 0.000 3.022 975 Q HA 0.519 4.859 4.340 -0.000 0.000 0.313 975 Q C -0.266 175.752 176.000 0.031 0.000 1.018 975 Q CA -1.187 54.632 55.803 0.026 0.000 0.799 975 Q CB 1.087 29.830 28.738 0.007 0.000 1.498 975 Q HN 0.295 nan 8.270 nan 0.000 0.494 976 I N 1.283 121.858 120.570 0.008 0.000 2.452 976 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 976 I C 0.811 176.933 176.117 0.008 0.000 1.079 976 I CA 1.025 62.329 61.300 0.006 0.000 1.387 976 I CB 0.219 38.219 38.000 -0.000 0.000 1.404 976 I HN 1.023 nan 8.210 nan 0.000 0.522 977 G N 4.277 113.088 108.800 0.018 0.000 2.218 977 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 977 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 977 G C -0.013 174.885 174.900 -0.003 0.000 0.994 977 G CA -0.624 44.477 45.100 0.001 0.000 0.637 977 G HN 0.536 nan 8.290 nan 0.000 0.505 978 D N 1.558 121.979 120.400 0.035 0.000 2.372 978 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 978 D C 0.736 176.990 176.300 -0.077 0.000 1.121 978 D CA 0.298 54.283 54.000 -0.025 0.000 0.898 978 D CB 0.825 41.655 40.800 0.049 0.000 1.202 978 D HN 0.347 nan 8.370 nan 0.000 0.428 979 K N 1.113 121.324 120.400 -0.315 0.000 2.185 979 K HA 0.497 4.817 4.320 -0.000 0.000 0.271 979 K C -0.616 175.543 176.600 -0.736 0.000 1.013 979 K CA -0.232 55.865 56.287 -0.317 0.000 0.943 979 K CB 0.844 33.207 32.500 -0.228 0.000 0.998 979 K HN 0.268 nan 8.250 nan 0.000 0.468 980 F N -0.111 119.788 119.950 -0.085 0.000 2.641 980 F HA 0.548 5.075 4.527 -0.000 0.000 0.308 980 F C -0.654 175.193 175.800 0.079 0.000 1.105 980 F CA -0.733 57.221 58.000 -0.077 0.000 0.964 980 F CB 2.252 41.134 39.000 -0.198 0.000 1.294 980 F HN 0.578 nan 8.300 nan 0.000 0.442 981 A N 0.962 123.963 122.820 0.301 0.000 2.605 981 A HA 0.718 5.038 4.320 -0.000 0.000 0.294 981 A C -0.801 176.692 177.584 -0.153 0.000 1.062 981 A CA -0.317 51.815 52.037 0.158 0.000 0.682 981 A CB 1.336 20.376 19.000 0.068 0.000 1.278 981 A HN 1.003 nan 8.150 nan 0.000 0.410 982 S N 0.234 115.706 115.700 -0.381 0.000 2.671 982 S HA 0.564 5.034 4.470 -0.000 0.000 0.272 982 S C 0.272 174.776 174.600 -0.159 0.000 1.174 982 S CA -0.410 57.497 58.200 -0.489 0.000 1.004 982 S CB 0.678 63.626 63.200 -0.422 0.000 1.077 982 S HN 0.630 nan 8.310 nan 0.000 0.553 983 R N 0.424 120.811 120.500 -0.188 0.000 3.541 983 R HA 0.288 4.628 4.340 -0.000 0.000 0.277 983 R C -0.065 175.879 176.300 -0.595 0.000 1.539 983 R CA -0.028 55.890 56.100 -0.303 0.000 1.338 983 R CB -0.367 29.748 30.300 -0.308 0.000 1.343 983 R HN 0.591 nan 8.270 nan 0.000 0.623 984 H N -1.018 118.063 119.070 0.019 0.000 2.750 984 H HA 0.195 4.751 4.556 -0.000 0.000 0.252 984 H C 0.805 176.183 175.328 0.083 0.000 1.176 984 H CA 0.249 56.334 56.048 0.060 0.000 0.987 984 H CB 1.491 31.325 29.762 0.118 0.000 1.810 984 H HN 0.475 nan 8.280 nan 0.000 0.630 985 G N 2.013 110.895 108.800 0.136 0.000 2.198 985 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 985 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 985 G C -0.002 175.024 174.900 0.209 0.000 1.042 985 G CA 0.277 45.499 45.100 0.204 0.000 0.791 985 G HN 0.345 nan 8.290 nan 0.000 0.502 986 Q N 0.259 120.149 119.800 0.150 0.000 2.589 986 Q HA 0.460 4.800 4.340 -0.000 0.000 0.245 986 Q C 0.358 176.426 176.000 0.114 0.000 0.931 986 Q CA -0.649 55.229 55.803 0.125 0.000 0.730 986 Q CB 0.548 29.366 28.738 0.133 0.000 1.315 986 Q HN 0.682 nan 8.270 nan 0.000 0.469 987 K N 0.756 121.201 120.400 0.074 0.000 2.318 987 K HA 0.902 5.222 4.320 -0.000 0.000 0.243 987 K C -0.051 176.605 176.600 0.093 0.000 1.047 987 K CA -0.575 55.758 56.287 0.077 0.000 0.937 987 K CB 0.710 33.219 32.500 0.014 0.000 1.225 987 K HN 0.518 nan 8.250 nan 0.000 0.506 988 G N 0.091 108.948 108.800 0.094 0.000 2.498 988 G HA2 0.262 4.222 3.960 -0.000 0.000 0.301 988 G HA3 0.262 4.222 3.960 -0.000 0.000 0.301 988 G C -1.079 173.878 174.900 0.095 0.000 1.577 988 G CA -0.625 44.527 45.100 0.086 0.000 0.868 988 G HN 0.776 nan 8.290 nan 0.000 0.599 989 T N -0.693 113.896 114.554 0.059 0.000 2.934 989 T HA 0.686 5.036 4.350 -0.000 0.000 0.283 989 T C 0.607 175.350 174.700 0.071 0.000 1.005 989 T CA -0.707 61.434 62.100 0.070 0.000 1.041 989 T CB 1.232 70.114 68.868 0.023 0.000 1.042 989 T HN 0.509 nan 8.240 nan 0.000 0.505 990 I N 2.569 123.192 120.570 0.088 0.000 2.581 990 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 990 I C 1.683 177.801 176.117 0.002 0.000 1.129 990 I CA 0.056 61.363 61.300 0.013 0.000 1.397 990 I CB 0.565 38.567 38.000 0.005 0.000 1.399 990 I HN 1.051 nan 8.210 nan 0.000 0.537 991 G N 7.204 116.000 108.800 -0.008 0.000 2.408 991 G HA2 0.103 4.063 3.960 -0.000 0.000 0.215 991 G HA3 0.103 4.063 3.960 -0.000 0.000 0.215 991 G C 0.486 175.397 174.900 0.018 0.000 1.156 991 G CA 0.443 45.561 45.100 0.030 0.000 0.793 991 G HN 0.555 nan 8.290 nan 0.000 0.535 992 I N -1.089 119.432 120.570 -0.081 0.000 3.105 992 I HA 0.393 4.563 4.170 -0.000 0.000 0.309 992 I C -1.433 174.535 176.117 -0.248 0.000 1.438 992 I CA -0.858 60.340 61.300 -0.169 0.000 0.938 992 I CB 2.191 40.010 38.000 -0.303 0.000 1.328 992 I HN 0.068 nan 8.210 nan 0.000 0.522 993 T N 0.402 114.843 114.554 -0.189 0.000 2.841 993 T HA 0.599 4.949 4.350 -0.000 0.000 0.283 993 T C -1.202 173.544 174.700 0.077 0.000 1.000 993 T CA -0.536 61.498 62.100 -0.110 0.000 0.977 993 T CB 1.226 70.075 68.868 -0.031 0.000 0.979 993 T HN 0.438 nan 8.240 nan 0.000 0.446 994 Y N 0.369 120.658 120.300 -0.019 0.000 2.462 994 Y HA 0.515 5.065 4.550 -0.000 0.000 0.346 994 Y C 0.942 176.844 175.900 0.004 0.000 0.976 994 Y CA -1.677 56.426 58.100 0.006 0.000 1.044 994 Y CB 2.327 40.815 38.460 0.046 0.000 1.230 994 Y HN 0.390 nan 8.280 nan 0.000 0.455 995 R N 1.106 121.704 120.500 0.163 0.000 2.615 995 R HA 0.168 4.508 4.340 -0.000 0.000 0.270 995 R C 1.324 177.671 176.300 0.078 0.000 1.081 995 R CA -0.429 55.720 56.100 0.081 0.000 1.154 995 R CB 0.782 31.106 30.300 0.039 0.000 1.063 995 R HN 0.733 nan 8.270 nan 0.000 0.519 996 R N 1.616 122.142 120.500 0.043 0.000 2.117 996 R HA -0.247 4.093 4.340 -0.000 0.000 0.243 996 R C 1.182 177.499 176.300 0.028 0.000 1.143 996 R CA 2.351 58.471 56.100 0.032 0.000 0.968 996 R CB 0.021 30.324 30.300 0.004 0.000 0.863 996 R HN 0.677 nan 8.270 nan 0.000 0.444 997 E N 0.265 120.473 120.200 0.015 0.000 2.058 997 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 997 E C 1.572 178.221 176.600 0.082 0.000 0.997 997 E CA 1.548 57.952 56.400 0.008 0.000 0.801 997 E CB -0.177 29.522 29.700 -0.002 0.000 0.746 997 E HN 0.403 nan 8.360 nan 0.000 0.450 998 D N -0.006 120.456 120.400 0.104 0.000 2.317 998 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 998 D C 0.547 176.984 176.300 0.228 0.000 0.966 998 D CA 0.361 54.475 54.000 0.189 0.000 0.876 998 D CB 0.029 40.863 40.800 0.058 0.000 0.927 998 D HN 0.118 nan 8.370 nan 0.000 0.519 999 M N 1.694 121.386 119.600 0.153 0.000 2.248 999 M HA 0.132 4.612 4.480 -0.000 0.000 0.337 999 M C -2.257 174.074 176.300 0.052 0.000 1.121 999 M CA -1.470 53.853 55.300 0.039 0.000 1.155 999 M CB 0.866 33.489 32.600 0.038 0.000 1.514 999 M HN -0.236 nan 8.290 nan 0.000 0.452 1000 P HA 0.205 nan 4.420 nan 0.000 0.272 1000 P C -1.473 175.852 177.300 0.041 0.000 1.223 1000 P CA -0.011 63.055 63.100 -0.058 0.000 0.784 1000 P CB 0.172 31.721 31.700 -0.253 0.000 0.923 1001 F N -2.000 117.917 119.950 -0.054 0.000 2.613 1001 F HA 0.720 5.247 4.527 -0.000 0.000 0.314 1001 F C -0.184 175.595 175.800 -0.036 0.000 1.075 1001 F CA -1.148 56.808 58.000 -0.073 0.000 0.945 1001 F CB 1.101 40.083 39.000 -0.029 0.000 1.310 1001 F HN 0.189 nan 8.300 nan 0.000 0.467 1002 T N 0.209 114.832 114.554 0.115 0.000 2.912 1002 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 1002 T C 1.167 175.981 174.700 0.190 0.000 0.989 1002 T CA 0.066 62.216 62.100 0.084 0.000 0.995 1002 T CB 1.397 70.307 68.868 0.069 0.000 1.077 1002 T HN 0.946 nan 8.240 nan 0.000 0.531 1003 A N 1.527 124.443 122.820 0.159 0.000 1.917 1003 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 1003 A C 1.785 179.415 177.584 0.077 0.000 1.182 1003 A CA 1.894 53.978 52.037 0.078 0.000 0.633 1003 A CB -0.797 18.267 19.000 0.108 0.000 0.819 1003 A HN 0.951 nan 8.150 nan 0.000 0.448 1004 E N -1.213 119.057 120.200 0.116 0.000 2.533 1004 E HA 0.190 4.540 4.350 -0.000 0.000 0.201 1004 E C 1.174 177.827 176.600 0.089 0.000 1.097 1004 E CA 0.274 56.735 56.400 0.101 0.000 0.887 1004 E CB -0.387 29.400 29.700 0.144 0.000 0.855 1004 E HN 0.819 nan 8.360 nan 0.000 0.540 1005 G N 1.287 110.150 108.800 0.105 0.000 2.179 1005 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 1005 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 1005 G C 0.336 175.292 174.900 0.094 0.000 0.977 1005 G CA -0.031 45.105 45.100 0.059 0.000 0.641 1005 G HN 0.273 nan 8.290 nan 0.000 0.533 1006 I N 0.454 121.119 120.570 0.158 0.000 2.634 1006 I HA 0.430 4.600 4.170 -0.000 0.000 0.284 1006 I C 0.568 176.826 176.117 0.236 0.000 1.124 1006 I CA -0.257 61.164 61.300 0.202 0.000 1.417 1006 I CB 1.389 39.563 38.000 0.291 0.000 1.396 1006 I HN -0.051 nan 8.210 nan 0.000 0.571 1007 V N 7.584 127.638 119.914 0.233 0.000 2.823 1007 V HA 0.490 4.610 4.120 -0.000 0.000 0.312 1007 V C -2.189 174.098 176.094 0.322 0.000 1.072 1007 V CA -1.726 60.709 62.300 0.226 0.000 0.937 1007 V CB 2.815 34.710 31.823 0.119 0.000 1.013 1007 V HN 0.607 nan 8.190 nan 0.000 0.430 1008 P HA 0.284 nan 4.420 nan 0.000 0.279 1008 P C -0.525 176.821 177.300 0.076 0.000 1.239 1008 P CA -0.095 63.177 63.100 0.288 0.000 0.789 1008 P CB 1.155 33.095 31.700 0.399 0.000 0.933 1009 D N 1.046 121.444 120.400 -0.002 0.000 2.271 1009 D HA 0.078 4.718 4.640 -0.000 0.000 0.206 1009 D C 0.497 176.744 176.300 -0.088 0.000 0.967 1009 D CA 0.983 54.957 54.000 -0.043 0.000 0.867 1009 D CB 0.358 41.122 40.800 -0.060 0.000 0.960 1009 D HN 0.189 nan 8.370 nan 0.000 0.509 1010 L N 0.136 121.295 121.223 -0.107 0.000 2.376 1010 L HA 0.467 4.807 4.340 -0.000 0.000 0.258 1010 L C -0.897 175.914 176.870 -0.098 0.000 1.013 1010 L CA -0.668 54.066 54.840 -0.177 0.000 0.822 1010 L CB 2.901 44.752 42.059 -0.347 0.000 1.388 1010 L HN -0.199 nan 8.230 nan 0.000 0.413 1011 I N 3.210 123.718 120.570 -0.104 0.000 2.531 1011 I HA 0.429 4.599 4.170 -0.000 0.000 0.283 1011 I C -0.622 175.485 176.117 -0.016 0.000 1.083 1011 I CA -0.415 60.867 61.300 -0.031 0.000 1.071 1011 I CB 1.559 39.537 38.000 -0.036 0.000 1.210 1011 I HN 0.491 nan 8.210 nan 0.000 0.450 1012 I N 2.926 123.513 120.570 0.029 0.000 2.676 1012 I HA 0.546 4.716 4.170 -0.000 0.000 0.309 1012 I C -0.338 175.827 176.117 0.080 0.000 0.990 1012 I CA -0.520 60.812 61.300 0.054 0.000 1.168 1012 I CB 1.762 39.821 38.000 0.099 0.000 1.343 1012 I HN 0.456 nan 8.210 nan 0.000 0.482 1013 N N 4.864 123.613 118.700 0.082 0.000 2.518 1013 N HA 0.296 5.036 4.740 -0.000 0.000 0.283 1013 N C -1.789 173.768 175.510 0.077 0.000 1.119 1013 N CA -1.856 51.258 53.050 0.107 0.000 0.983 1013 N CB 1.723 40.289 38.487 0.132 0.000 1.139 1013 N HN 0.511 nan 8.380 nan 0.000 0.465 1014 P HA -0.112 nan 4.420 nan 0.000 0.220 1014 P C 0.632 177.851 177.300 -0.135 0.000 1.148 1014 P CA 1.292 64.356 63.100 -0.061 0.000 0.803 1014 P CB 0.102 31.739 31.700 -0.105 0.000 0.782 1015 H N -0.109 118.966 119.070 0.009 0.000 2.561 1015 H HA 0.174 4.730 4.556 -0.000 0.000 0.278 1015 H C 1.530 176.856 175.328 -0.004 0.000 1.014 1015 H CA 0.952 57.001 56.048 0.002 0.000 1.211 1015 H CB -0.083 29.681 29.762 0.005 0.000 1.365 1015 H HN 0.184 nan 8.280 nan 0.000 0.594 1016 A N 0.519 123.381 122.820 0.071 0.000 2.307 1016 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 1016 A C 1.828 179.403 177.584 -0.015 0.000 1.228 1016 A CA -0.013 52.047 52.037 0.037 0.000 0.857 1016 A CB -0.074 18.948 19.000 0.037 0.000 0.897 1016 A HN 0.119 nan 8.150 nan 0.000 0.495 1017 I N -0.355 120.189 120.570 -0.043 0.000 2.899 1017 I HA 0.046 4.216 4.170 -0.000 0.000 0.257 1017 I C -0.635 175.449 176.117 -0.056 0.000 1.115 1017 I CA 0.220 61.473 61.300 -0.079 0.000 1.451 1017 I CB -2.249 35.678 38.000 -0.121 0.000 1.251 1017 I HN 0.043 nan 8.210 nan 0.000 0.456 1018 P HA -0.120 nan 4.420 nan 0.000 0.213 1018 P C 1.973 179.267 177.300 -0.009 0.000 1.176 1018 P CA 1.977 65.058 63.100 -0.030 0.000 0.919 1018 P CB 0.008 31.695 31.700 -0.023 0.000 0.791 1019 S N -0.474 115.231 115.700 0.008 0.000 2.359 1019 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 1019 S C 1.822 176.435 174.600 0.022 0.000 1.035 1019 S CA 1.202 59.413 58.200 0.019 0.000 1.018 1019 S CB -0.813 62.405 63.200 0.031 0.000 0.876 1019 S HN 0.132 nan 8.310 nan 0.000 0.448 1020 R N 1.031 121.546 120.500 0.025 0.000 2.148 1020 R HA 0.170 4.510 4.340 -0.000 0.000 0.227 1020 R C 0.685 176.997 176.300 0.020 0.000 1.103 1020 R CA 0.305 56.428 56.100 0.038 0.000 0.983 1020 R CB -0.977 29.353 30.300 0.049 0.000 0.874 1020 R HN 0.471 nan 8.270 nan 0.000 0.451 1021 M N 0.871 120.471 119.600 -0.001 0.000 2.249 1021 M HA -0.168 4.312 4.480 -0.000 0.000 0.198 1021 M C -0.014 176.284 176.300 -0.004 0.000 0.394 1021 M CA 0.991 56.285 55.300 -0.010 0.000 0.427 1021 M CB -1.868 30.731 32.600 -0.002 0.000 1.307 1021 M HN 0.019 nan 8.290 nan 0.000 0.924 1022 T N -0.048 114.498 114.554 -0.012 0.000 3.855 1022 T HA 0.410 4.760 4.350 -0.000 0.000 0.306 1022 T C 1.203 175.872 174.700 -0.052 0.000 1.575 1022 T CA -0.187 61.914 62.100 0.001 0.000 1.214 1022 T CB -0.020 68.867 68.868 0.032 0.000 1.262 1022 T HN 0.326 nan 8.240 nan 0.000 0.883 1023 V N 2.823 122.714 119.914 -0.039 0.000 2.380 1023 V HA -0.227 3.893 4.120 -0.000 0.000 0.251 1023 V C 2.926 178.940 176.094 -0.132 0.000 1.063 1023 V CA 2.202 64.455 62.300 -0.079 0.000 1.055 1023 V CB -1.219 30.590 31.823 -0.024 0.000 0.657 1023 V HN 0.848 nan 8.190 nan 0.000 0.455 1024 A N -0.477 122.295 122.820 -0.080 0.000 1.927 1024 A HA -0.356 3.964 4.320 -0.000 0.000 0.220 1024 A C 2.257 179.627 177.584 -0.358 0.000 1.185 1024 A CA 2.360 54.337 52.037 -0.100 0.000 0.639 1024 A CB -0.925 18.194 19.000 0.198 0.000 0.820 1024 A HN 0.714 nan 8.150 nan 0.000 0.451 1025 H N 0.343 118.944 119.070 -0.780 0.000 2.352 1025 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 1025 H C 1.844 177.048 175.328 -0.207 0.000 1.097 1025 H CA 2.010 57.649 56.048 -0.682 0.000 1.311 1025 H CB -0.357 29.131 29.762 -0.456 0.000 1.377 1025 H HN 0.446 nan 8.280 nan 0.000 0.504 1026 L N 0.051 121.313 121.223 0.065 0.000 2.141 1026 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 1026 L C 2.755 179.649 176.870 0.040 0.000 1.094 1026 L CA 0.927 55.795 54.840 0.047 0.000 0.763 1026 L CB -0.321 41.569 42.059 -0.280 0.000 0.908 1026 L HN 0.222 nan 8.230 nan 0.000 0.437 1027 I N -0.435 120.058 120.570 -0.128 0.000 2.406 1027 I HA -0.214 3.956 4.170 -0.000 0.000 0.249 1027 I C 2.578 178.668 176.117 -0.044 0.000 1.122 1027 I CA 0.937 62.101 61.300 -0.227 0.000 1.431 1027 I CB -0.294 37.294 38.000 -0.686 0.000 1.087 1027 I HN 0.292 nan 8.210 nan 0.000 0.424 1028 E N 0.640 120.866 120.200 0.044 0.000 2.085 1028 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 1028 E C 2.367 178.993 176.600 0.042 0.000 0.994 1028 E CA 1.699 58.175 56.400 0.126 0.000 0.801 1028 E CB -0.061 29.695 29.700 0.094 0.000 0.743 1028 E HN 0.571 nan 8.360 nan 0.000 0.453 1029 C N 0.181 119.497 119.300 0.026 0.000 2.436 1029 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 1029 C C 2.663 177.614 174.990 -0.065 0.000 1.241 1029 C CA 0.939 59.950 59.018 -0.013 0.000 1.721 1029 C CB -1.155 26.636 27.740 0.086 0.000 2.043 1029 C HN 0.552 nan 8.230 nan 0.000 0.472 1030 L N 0.538 121.771 121.223 0.016 0.000 2.012 1030 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 1030 L C 2.325 179.173 176.870 -0.036 0.000 1.073 1030 L CA 2.002 56.830 54.840 -0.021 0.000 0.748 1030 L CB -0.906 41.176 42.059 0.038 0.000 0.891 1030 L HN 0.442 nan 8.230 nan 0.000 0.431 1031 L N -1.452 119.777 121.223 0.011 0.000 2.046 1031 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 1031 L C 2.479 179.337 176.870 -0.021 0.000 1.077 1031 L CA 1.984 56.844 54.840 0.034 0.000 0.747 1031 L CB -0.626 41.522 42.059 0.150 0.000 0.896 1031 L HN 0.250 nan 8.230 nan 0.000 0.432 1032 S N -0.714 114.963 115.700 -0.038 0.000 2.383 1032 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 1032 S C 1.926 176.450 174.600 -0.126 0.000 1.026 1032 S CA 1.381 59.538 58.200 -0.072 0.000 0.981 1032 S CB -0.265 62.900 63.200 -0.057 0.000 0.818 1032 S HN 0.422 nan 8.310 nan 0.000 0.472 1033 K N 1.150 121.447 120.400 -0.172 0.000 1.991 1033 K HA -0.114 4.206 4.320 -0.000 0.000 0.212 1033 K C 1.987 178.445 176.600 -0.236 0.000 1.049 1033 K CA 1.549 57.687 56.287 -0.249 0.000 0.932 1033 K CB -0.418 31.901 32.500 -0.302 0.000 0.717 1033 K HN 0.129 nan 8.250 nan 0.000 0.441 1034 V N 1.282 121.087 119.914 -0.181 0.000 2.282 1034 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 1034 V C 2.427 178.420 176.094 -0.168 0.000 1.057 1034 V CA 2.152 64.349 62.300 -0.172 0.000 1.032 1034 V CB -0.845 30.943 31.823 -0.058 0.000 0.645 1034 V HN 0.558 nan 8.190 nan 0.000 0.447 1035 A N -0.142 122.613 122.820 -0.109 0.000 1.883 1035 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 1035 A C 2.426 179.948 177.584 -0.104 0.000 1.186 1035 A CA 2.431 54.416 52.037 -0.086 0.000 0.624 1035 A CB -0.921 18.037 19.000 -0.070 0.000 0.822 1035 A HN 0.626 nan 8.150 nan 0.000 0.444 1036 A N -0.521 122.225 122.820 -0.123 0.000 1.933 1036 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 1036 A C 2.173 179.680 177.584 -0.128 0.000 1.175 1036 A CA 1.537 53.506 52.037 -0.114 0.000 0.628 1036 A CB -0.552 18.374 19.000 -0.123 0.000 0.814 1036 A HN 0.489 nan 8.150 nan 0.000 0.444 1037 L N -0.025 121.072 121.223 -0.211 0.000 2.072 1037 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 1037 L C 2.821 179.573 176.870 -0.197 0.000 1.079 1037 L CA 1.521 56.209 54.840 -0.252 0.000 0.752 1037 L CB -0.417 41.340 42.059 -0.504 0.000 0.906 1037 L HN 0.547 nan 8.230 nan 0.000 0.436 1038 S N -0.514 115.057 115.700 -0.214 0.000 2.562 1038 S HA 0.091 4.561 4.470 -0.000 0.000 0.221 1038 S C 1.670 176.282 174.600 0.021 0.000 0.975 1038 S CA 0.460 58.665 58.200 0.008 0.000 0.918 1038 S CB 0.166 63.411 63.200 0.075 0.000 0.772 1038 S HN 0.563 nan 8.310 nan 0.000 0.531 1039 G N 1.287 110.076 108.800 -0.019 0.000 2.184 1039 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 1039 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 1039 G C -0.083 174.810 174.900 -0.012 0.000 0.975 1039 G CA 0.260 45.353 45.100 -0.010 0.000 0.642 1039 G HN 0.585 nan 8.290 nan 0.000 0.536 1040 N N 0.501 119.193 118.700 -0.013 0.000 2.492 1040 N HA 0.423 5.163 4.740 -0.000 0.000 0.289 1040 N C -0.051 175.438 175.510 -0.036 0.000 1.133 1040 N CA -0.465 52.576 53.050 -0.015 0.000 0.961 1040 N CB 1.270 39.757 38.487 0.000 0.000 1.186 1040 N HN 0.513 nan 8.380 nan 0.000 0.493 1041 E N -0.221 119.952 120.200 -0.046 0.000 2.373 1041 E HA 0.268 4.618 4.350 -0.000 0.000 0.267 1041 E C -0.019 176.537 176.600 -0.072 0.000 1.032 1041 E CA -0.553 55.806 56.400 -0.069 0.000 0.889 1041 E CB 0.521 30.170 29.700 -0.085 0.000 0.984 1041 E HN 0.613 nan 8.360 nan 0.000 0.425 1042 G N 3.675 112.424 108.800 -0.085 0.000 2.393 1042 G HA2 0.049 4.009 3.960 -0.000 0.000 0.311 1042 G HA3 0.049 4.009 3.960 -0.000 0.000 0.311 1042 G C -0.572 174.250 174.900 -0.130 0.000 1.067 1042 G CA -0.506 44.548 45.100 -0.077 0.000 1.000 1042 G HN 0.551 nan 8.290 nan 0.000 0.422 1043 D N 2.136 122.464 120.400 -0.122 0.000 2.346 1043 D HA 0.350 4.989 4.640 -0.000 0.000 0.260 1043 D C 0.942 177.046 176.300 -0.327 0.000 1.252 1043 D CA 0.125 54.007 54.000 -0.197 0.000 0.895 1043 D CB 0.993 41.711 40.800 -0.137 0.000 1.097 1043 D HN 0.344 nan 8.370 nan 0.000 0.489 1044 A N 3.007 125.505 122.820 -0.537 0.000 2.574 1044 A HA 0.220 4.539 4.320 -0.000 0.000 0.283 1044 A C 0.697 177.724 177.584 -0.930 0.000 1.270 1044 A CA -0.442 50.891 52.037 -1.172 0.000 0.945 1044 A CB 0.104 18.555 19.000 -0.917 0.000 1.127 1044 A HN 0.411 nan 8.150 nan 0.000 0.522 1045 S N 3.193 118.581 115.700 -0.519 0.000 2.549 1045 S HA 0.285 4.754 4.470 -0.000 0.000 0.286 1045 S C -2.209 172.261 174.600 -0.218 0.000 1.314 1045 S CA -0.452 57.557 58.200 -0.319 0.000 1.062 1045 S CB 0.387 63.449 63.200 -0.229 0.000 0.865 1045 S HN 0.493 nan 8.310 nan 0.000 0.498 1046 P HA 0.219 nan 4.420 nan 0.000 0.274 1046 P C -0.320 176.849 177.300 -0.218 0.000 1.237 1046 P CA -0.336 62.540 63.100 -0.373 0.000 0.793 1046 P CB 0.030 31.277 31.700 -0.755 0.000 0.977 1047 F N -2.534 117.538 119.950 0.204 0.000 3.074 1047 F HA -0.225 4.302 4.527 -0.000 0.000 0.287 1047 F C 0.933 176.858 175.800 0.208 0.000 0.932 1047 F CA 0.507 58.611 58.000 0.174 0.000 0.995 1047 F CB -2.533 36.545 39.000 0.131 0.000 0.966 1047 F HN 0.434 nan 8.300 nan 0.000 0.721 1048 T N -4.803 109.945 114.554 0.324 0.000 2.807 1048 T HA 0.394 4.744 4.350 -0.000 0.000 0.277 1048 T C 0.511 175.353 174.700 0.236 0.000 1.006 1048 T CA -0.616 61.654 62.100 0.282 0.000 1.006 1048 T CB 2.200 71.207 68.868 0.233 0.000 1.274 1048 T HN 0.042 nan 8.240 nan 0.000 0.569 1049 D N 0.025 120.542 120.400 0.195 0.000 2.328 1049 D HA 0.248 4.888 4.640 -0.000 0.000 0.221 1049 D C 0.445 176.838 176.300 0.156 0.000 1.072 1049 D CA 0.007 54.104 54.000 0.162 0.000 0.850 1049 D CB 0.006 40.883 40.800 0.129 0.000 0.922 1049 D HN 0.495 nan 8.370 nan 0.000 0.516 1050 I N 1.128 121.809 120.570 0.186 0.000 2.710 1050 I HA -0.070 4.100 4.170 -0.000 0.000 0.286 1050 I C 0.679 176.887 176.117 0.151 0.000 1.181 1050 I CA 0.903 62.311 61.300 0.179 0.000 1.430 1050 I CB 0.646 38.795 38.000 0.248 0.000 1.367 1050 I HN -0.262 nan 8.210 nan 0.000 0.577 1051 T N 4.674 119.278 114.554 0.083 0.000 2.906 1051 T HA 0.227 4.577 4.350 -0.000 0.000 0.295 1051 T C 1.031 175.713 174.700 -0.030 0.000 1.075 1051 T CA -0.677 61.439 62.100 0.027 0.000 1.005 1051 T CB 2.153 71.049 68.868 0.047 0.000 1.136 1051 T HN 0.261 nan 8.240 nan 0.000 0.498 1052 V N 1.451 121.314 119.914 -0.084 0.000 2.332 1052 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 1052 V C 2.544 178.623 176.094 -0.024 0.000 1.055 1052 V CA 1.659 63.903 62.300 -0.094 0.000 1.038 1052 V CB -0.426 31.330 31.823 -0.111 0.000 0.651 1052 V HN 0.776 nan 8.190 nan 0.000 0.450 1053 E N 0.698 120.897 120.200 -0.002 0.000 2.077 1053 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 1053 E C 2.377 178.996 176.600 0.031 0.000 0.989 1053 E CA 1.526 57.938 56.400 0.021 0.000 0.800 1053 E CB -0.716 29.000 29.700 0.027 0.000 0.746 1053 E HN 0.617 nan 8.360 nan 0.000 0.452 1054 G N 0.763 109.583 108.800 0.034 0.000 2.422 1054 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 1054 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 1054 G C 1.687 176.616 174.900 0.048 0.000 1.140 1054 G CA 0.401 45.528 45.100 0.046 0.000 0.775 1054 G HN 0.212 nan 8.290 nan 0.000 0.545 1055 I N 0.603 121.194 120.570 0.035 0.000 2.716 1055 I HA -0.042 4.128 4.170 -0.000 0.000 0.259 1055 I C 2.772 178.917 176.117 0.046 0.000 1.172 1055 I CA 0.395 61.718 61.300 0.038 0.000 1.478 1055 I CB 0.058 38.066 38.000 0.014 0.000 1.104 1055 I HN 0.044 nan 8.210 nan 0.000 0.439 1056 S N 0.886 116.612 115.700 0.042 0.000 2.368 1056 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 1056 S C 1.959 176.605 174.600 0.077 0.000 1.029 1056 S CA 1.189 59.425 58.200 0.060 0.000 0.988 1056 S CB -0.085 63.148 63.200 0.054 0.000 0.838 1056 S HN 0.343 nan 8.310 nan 0.000 0.462 1057 K N 1.089 121.530 120.400 0.067 0.000 2.009 1057 K HA -0.067 4.253 4.320 -0.000 0.000 0.210 1057 K C 2.033 178.685 176.600 0.087 0.000 1.049 1057 K CA 1.273 57.602 56.287 0.069 0.000 0.929 1057 K CB -0.493 32.040 32.500 0.055 0.000 0.714 1057 K HN 0.263 nan 8.250 nan 0.000 0.440 1058 L N 0.744 122.026 121.223 0.097 0.000 2.042 1058 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 1058 L C 2.491 179.504 176.870 0.238 0.000 1.076 1058 L CA 0.663 55.589 54.840 0.143 0.000 0.749 1058 L CB -0.484 41.655 42.059 0.133 0.000 0.893 1058 L HN 0.215 nan 8.230 nan 0.000 0.432 1059 L N 0.301 121.633 121.223 0.182 0.000 2.046 1059 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 1059 L C 2.705 179.734 176.870 0.265 0.000 1.077 1059 L CA 1.714 56.677 54.840 0.205 0.000 0.747 1059 L CB -0.582 41.543 42.059 0.109 0.000 0.896 1059 L HN 0.110 nan 8.230 nan 0.000 0.432 1060 R N 0.340 120.949 120.500 0.181 0.000 2.081 1060 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 1060 R C 2.048 178.416 176.300 0.114 0.000 1.131 1060 R CA 1.886 58.074 56.100 0.147 0.000 0.960 1060 R CB -0.552 29.809 30.300 0.101 0.000 0.856 1060 R HN 0.570 nan 8.270 nan 0.000 0.436 1061 E N -0.671 119.580 120.200 0.084 0.000 2.401 1061 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 1061 E C 0.742 177.281 176.600 -0.101 0.000 1.023 1061 E CA 0.702 57.090 56.400 -0.020 0.000 0.859 1061 E CB -0.075 29.588 29.700 -0.062 0.000 0.780 1061 E HN 0.570 nan 8.360 nan 0.000 0.523 1062 H N -0.955 118.180 119.070 0.108 0.000 2.505 1062 H HA 0.147 4.703 4.556 -0.000 0.000 0.289 1062 H C 1.281 176.652 175.328 0.073 0.000 1.052 1062 H CA 0.646 56.780 56.048 0.143 0.000 1.156 1062 H CB 1.066 30.977 29.762 0.249 0.000 1.507 1062 H HN 0.336 nan 8.280 nan 0.000 0.548 1063 G N 0.594 109.434 108.800 0.067 0.000 2.199 1063 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 1063 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 1063 G C -0.218 174.566 174.900 -0.193 0.000 0.982 1063 G CA 0.023 45.055 45.100 -0.113 0.000 0.632 1063 G HN 0.359 nan 8.290 nan 0.000 0.529 1064 Y N 0.482 120.844 120.300 0.104 0.000 2.376 1064 Y HA 0.547 5.097 4.550 -0.000 0.000 0.325 1064 Y C 0.786 176.744 175.900 0.097 0.000 1.199 1064 Y CA -0.433 57.724 58.100 0.096 0.000 1.206 1064 Y CB 0.876 39.388 38.460 0.088 0.000 1.229 1064 Y HN 0.307 nan 8.280 nan 0.000 0.480 1065 Q N 0.736 120.703 119.800 0.278 0.000 2.255 1065 Q HA 0.071 4.411 4.340 -0.000 0.000 0.280 1065 Q C 1.000 177.129 176.000 0.216 0.000 1.068 1065 Q CA 0.487 56.420 55.803 0.217 0.000 0.911 1065 Q CB 1.227 30.104 28.738 0.231 0.000 1.157 1065 Q HN 0.800 nan 8.270 nan 0.000 0.380 1066 S N 3.933 119.736 115.700 0.172 0.000 2.409 1066 S HA -0.261 4.209 4.470 -0.000 0.000 0.237 1066 S C 1.013 175.691 174.600 0.131 0.000 1.060 1066 S CA 1.350 59.634 58.200 0.141 0.000 1.052 1066 S CB -0.262 63.005 63.200 0.112 0.000 0.871 1066 S HN 0.740 nan 8.310 nan 0.000 0.465 1067 R N 1.559 122.162 120.500 0.171 0.000 2.752 1067 R HA 0.356 4.696 4.340 -0.000 0.000 0.279 1067 R C 1.666 178.038 176.300 0.120 0.000 1.212 1067 R CA 0.194 56.373 56.100 0.132 0.000 1.169 1067 R CB -1.361 29.035 30.300 0.159 0.000 1.286 1067 R HN 0.684 nan 8.270 nan 0.000 0.564 1068 G N 0.555 109.417 108.800 0.103 0.000 2.228 1068 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.270 1068 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.270 1068 G C 0.269 175.125 174.900 -0.073 0.000 0.976 1068 G CA 0.197 45.254 45.100 -0.072 0.000 0.636 1068 G HN 0.388 nan 8.290 nan 0.000 0.542 1069 F N 1.018 121.094 119.950 0.210 0.000 2.444 1069 F HA 0.561 5.088 4.527 -0.000 0.000 0.331 1069 F C 1.122 177.003 175.800 0.135 0.000 1.167 1069 F CA 0.201 58.314 58.000 0.189 0.000 1.262 1069 F CB 0.600 39.706 39.000 0.176 0.000 1.196 1069 F HN 0.098 nan 8.300 nan 0.000 0.583 1070 E N 0.080 120.490 120.200 0.350 0.000 2.392 1070 E HA 0.318 4.668 4.350 -0.000 0.000 0.279 1070 E C -1.535 175.125 176.600 0.100 0.000 0.964 1070 E CA -0.920 55.610 56.400 0.216 0.000 0.777 1070 E CB 2.766 32.594 29.700 0.213 0.000 1.249 1070 E HN 0.160 nan 8.360 nan 0.000 0.449 1071 V N 2.931 122.878 119.914 0.056 0.000 2.614 1071 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 1071 V C 0.147 176.189 176.094 -0.085 0.000 1.049 1071 V CA 0.510 62.785 62.300 -0.042 0.000 1.038 1071 V CB 0.552 32.358 31.823 -0.028 0.000 0.980 1071 V HN 0.563 nan 8.190 nan 0.000 0.481 1072 M N 4.252 123.723 119.600 -0.214 0.000 2.550 1072 M HA 0.536 5.016 4.480 -0.000 0.000 0.292 1072 M C -1.772 174.269 176.300 -0.432 0.000 1.221 1072 M CA -0.636 54.520 55.300 -0.239 0.000 0.873 1072 M CB 2.690 35.131 32.600 -0.265 0.000 1.727 1072 M HN 0.458 nan 8.290 nan 0.000 0.459 1073 Y N 0.470 120.339 120.300 -0.718 0.000 2.409 1073 Y HA 0.360 4.910 4.550 -0.000 0.000 0.339 1073 Y C 0.314 175.856 175.900 -0.597 0.000 1.033 1073 Y CA -1.162 56.465 58.100 -0.788 0.000 1.094 1073 Y CB 0.830 38.493 38.460 -1.327 0.000 1.210 1073 Y HN 0.543 nan 8.280 nan 0.000 0.456 1074 N N 1.076 119.704 118.700 -0.121 0.000 2.497 1074 N HA 0.020 4.760 4.740 -0.000 0.000 0.268 1074 N C 1.053 176.685 175.510 0.203 0.000 1.171 1074 N CA 0.554 53.627 53.050 0.037 0.000 0.948 1074 N CB 1.617 40.078 38.487 -0.043 0.000 1.069 1074 N HN 1.017 nan 8.380 nan 0.000 0.460 1075 G N 2.490 111.465 108.800 0.292 0.000 2.509 1075 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 1075 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 1075 G C 0.906 176.009 174.900 0.339 0.000 1.124 1075 G CA 0.655 45.987 45.100 0.387 0.000 0.776 1075 G HN 0.697 nan 8.290 nan 0.000 0.547 1076 H N -0.193 118.960 119.070 0.139 0.000 2.482 1076 H HA 0.126 4.682 4.556 -0.000 0.000 0.286 1076 H C 2.117 177.481 175.328 0.060 0.000 1.017 1076 H CA 1.421 57.502 56.048 0.055 0.000 1.322 1076 H CB 0.066 29.823 29.762 -0.008 0.000 1.426 1076 H HN 0.281 nan 8.280 nan 0.000 0.546 1077 T N -2.337 112.339 114.554 0.203 0.000 2.954 1077 T HA 0.303 4.653 4.350 -0.000 0.000 0.252 1077 T C 1.685 176.484 174.700 0.165 0.000 0.983 1077 T CA 0.577 62.762 62.100 0.142 0.000 0.941 1077 T CB 0.904 69.828 68.868 0.093 0.000 1.141 1077 T HN 0.500 nan 8.240 nan 0.000 0.500 1078 G N 2.277 111.222 108.800 0.243 0.000 2.253 1078 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.251 1078 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.251 1078 G C 0.220 175.298 174.900 0.298 0.000 0.998 1078 G CA 0.483 45.791 45.100 0.347 0.000 0.621 1078 G HN 0.622 nan 8.290 nan 0.000 0.524 1079 K N 1.345 121.837 120.400 0.154 0.000 2.319 1079 K HA 0.410 4.730 4.320 -0.000 0.000 0.265 1079 K C 0.950 177.507 176.600 -0.072 0.000 1.000 1079 K CA -0.215 56.111 56.287 0.064 0.000 0.943 1079 K CB 0.297 32.808 32.500 0.018 0.000 0.950 1079 K HN 0.296 nan 8.250 nan 0.000 0.485 1080 K N 1.709 121.966 120.400 -0.238 0.000 2.156 1080 K HA 0.172 4.492 4.320 -0.000 0.000 0.242 1080 K C -0.218 176.198 176.600 -0.306 0.000 1.033 1080 K CA -0.197 55.778 56.287 -0.520 0.000 0.878 1080 K CB 0.366 32.533 32.500 -0.554 0.000 1.057 1080 K HN 0.408 nan 8.250 nan 0.000 0.505 1081 L N 1.680 122.711 121.223 -0.319 0.000 2.325 1081 L HA 0.229 4.569 4.340 -0.000 0.000 0.278 1081 L C 0.899 177.668 176.870 -0.169 0.000 1.023 1081 L CA -0.672 54.055 54.840 -0.188 0.000 0.811 1081 L CB 1.442 43.411 42.059 -0.150 0.000 1.249 1081 L HN 0.651 nan 8.230 nan 0.000 0.431 1082 M N 2.281 121.810 119.600 -0.118 0.000 2.460 1082 M HA 0.104 4.584 4.480 -0.000 0.000 0.263 1082 M C 0.452 176.689 176.300 -0.105 0.000 1.071 1082 M CA 0.765 56.002 55.300 -0.104 0.000 1.096 1082 M CB -0.160 32.395 32.600 -0.076 0.000 1.408 1082 M HN 0.606 nan 8.290 nan 0.000 0.463 1083 A N -0.349 122.412 122.820 -0.098 0.000 2.337 1083 A HA 0.695 5.015 4.320 -0.000 0.000 0.331 1083 A C -0.732 176.791 177.584 -0.102 0.000 1.137 1083 A CA -0.743 51.234 52.037 -0.099 0.000 0.807 1083 A CB 0.746 19.709 19.000 -0.061 0.000 1.250 1083 A HN 0.336 nan 8.150 nan 0.000 0.468 1084 Q N 0.412 120.132 119.800 -0.133 0.000 2.235 1084 Q HA 0.614 4.954 4.340 -0.000 0.000 0.250 1084 Q C -0.764 175.291 176.000 0.092 0.000 0.909 1084 Q CA 0.203 55.963 55.803 -0.072 0.000 0.910 1084 Q CB 1.536 30.193 28.738 -0.136 0.000 1.223 1084 Q HN 0.620 nan 8.270 nan 0.000 0.432 1085 I N 1.791 122.465 120.570 0.173 0.000 2.392 1085 I HA 0.239 4.409 4.170 -0.000 0.000 0.295 1085 I C -0.409 175.988 176.117 0.466 0.000 0.985 1085 I CA -0.953 60.520 61.300 0.290 0.000 1.221 1085 I CB 0.748 38.815 38.000 0.111 0.000 1.366 1085 I HN 0.516 nan 8.210 nan 0.000 0.467 1086 F N 7.220 127.368 119.950 0.330 0.000 2.519 1086 F HA 0.208 4.735 4.527 -0.000 0.000 0.375 1086 F C -0.788 175.143 175.800 0.219 0.000 1.084 1086 F CA -0.017 58.035 58.000 0.086 0.000 1.147 1086 F CB -0.113 38.826 39.000 -0.102 0.000 1.088 1086 F HN 0.172 nan 8.300 nan 0.000 0.555 1087 F N 4.903 124.597 119.950 -0.427 0.000 2.536 1087 F HA 0.725 5.252 4.527 -0.000 0.000 0.322 1087 F C -0.222 175.318 175.800 -0.432 0.000 1.144 1087 F CA -0.785 57.031 58.000 -0.307 0.000 0.924 1087 F CB 1.520 40.448 39.000 -0.120 0.000 1.181 1087 F HN 0.597 nan 8.300 nan 0.000 0.438 1088 G N 5.299 113.681 108.800 -0.697 0.000 2.523 1088 G HA2 0.472 4.432 3.960 -0.000 0.000 0.291 1088 G HA3 0.472 4.432 3.960 -0.000 0.000 0.291 1088 G C -3.471 171.150 174.900 -0.465 0.000 1.450 1088 G CA -1.111 43.632 45.100 -0.596 0.000 0.790 1088 G HN 0.303 nan 8.290 nan 0.000 0.496 1089 P HA 0.493 nan 4.420 nan 0.000 0.274 1089 P C -0.664 176.588 177.300 -0.080 0.000 1.237 1089 P CA 0.093 63.078 63.100 -0.193 0.000 0.793 1089 P CB 1.558 33.168 31.700 -0.151 0.000 0.977 1090 T N 1.026 115.605 114.554 0.041 0.000 3.041 1090 T HA 0.170 4.520 4.350 -0.000 0.000 0.321 1090 T C -1.195 173.658 174.700 0.256 0.000 1.184 1090 T CA -0.238 61.926 62.100 0.106 0.000 1.050 1090 T CB 0.542 69.463 68.868 0.089 0.000 1.159 1090 T HN 0.194 nan 8.240 nan 0.000 0.469 1091 Y N 2.541 122.870 120.300 0.048 0.000 2.442 1091 Y HA 0.439 4.989 4.550 -0.000 0.000 0.330 1091 Y C -0.968 174.992 175.900 0.099 0.000 1.129 1091 Y CA -0.147 58.014 58.100 0.100 0.000 1.365 1091 Y CB 0.247 38.735 38.460 0.047 0.000 1.233 1091 Y HN 0.583 nan 8.280 nan 0.000 0.529 1092 Y N 3.362 123.588 120.300 -0.123 0.000 2.442 1092 Y HA 0.369 4.919 4.550 -0.000 0.000 0.344 1092 Y C -0.584 175.350 175.900 0.056 0.000 0.976 1092 Y CA -0.990 57.144 58.100 0.057 0.000 1.040 1092 Y CB 1.795 40.373 38.460 0.196 0.000 1.228 1092 Y HN 0.479 nan 8.280 nan 0.000 0.451 1093 Q N 3.000 122.883 119.800 0.138 0.000 2.256 1093 Q HA 0.456 4.796 4.340 -0.000 0.000 0.257 1093 Q C -0.646 175.396 176.000 0.070 0.000 0.936 1093 Q CA -1.008 54.867 55.803 0.120 0.000 0.903 1093 Q CB 2.137 30.908 28.738 0.056 0.000 1.263 1093 Q HN 0.469 nan 8.270 nan 0.000 0.440 1094 R N 3.334 123.847 120.500 0.022 0.000 2.221 1094 R HA 0.362 4.702 4.340 -0.000 0.000 0.327 1094 R C -1.010 175.087 176.300 -0.339 0.000 1.033 1094 R CA -0.252 55.593 56.100 -0.426 0.000 0.887 1094 R CB 0.390 30.607 30.300 -0.138 0.000 1.057 1094 R HN 0.587 nan 8.270 nan 0.000 0.455 1095 L N 4.494 125.432 121.223 -0.476 0.000 2.416 1095 L HA 0.501 4.841 4.340 -0.000 0.000 0.262 1095 L C 1.145 177.857 176.870 -0.264 0.000 1.093 1095 L CA -0.981 53.691 54.840 -0.280 0.000 0.801 1095 L CB 1.140 43.061 42.059 -0.229 0.000 1.191 1095 L HN 0.732 nan 8.230 nan 0.000 0.459 1096 R N -0.620 119.763 120.500 -0.194 0.000 2.716 1096 R HA 0.246 4.586 4.340 -0.000 0.000 0.202 1096 R C -0.476 175.756 176.300 -0.112 0.000 1.114 1096 R CA -0.710 55.284 56.100 -0.178 0.000 1.084 1096 R CB -0.102 30.078 30.300 -0.200 0.000 1.282 1096 R HN 0.552 nan 8.270 nan 0.000 0.506 1097 H N 0.063 119.023 119.070 -0.183 0.000 2.861 1097 H HA -0.112 4.444 4.556 -0.000 0.000 0.319 1097 H C -0.912 174.310 175.328 -0.176 0.000 0.994 1097 H CA 0.763 56.711 56.048 -0.167 0.000 1.032 1097 H CB -0.975 28.699 29.762 -0.147 0.000 1.615 1097 H HN 0.446 nan 8.280 nan 0.000 0.357 1098 M N 0.944 120.511 119.600 -0.055 0.000 2.706 1098 M HA 0.267 4.747 4.480 -0.000 0.000 0.304 1098 M C 2.150 178.389 176.300 -0.102 0.000 1.217 1098 M CA -0.776 54.460 55.300 -0.106 0.000 0.922 1098 M CB 1.219 33.733 32.600 -0.143 0.000 1.637 1098 M HN 0.024 nan 8.290 nan 0.000 0.492 1099 V N -0.390 119.466 119.914 -0.097 0.000 2.225 1099 V HA -0.340 3.780 4.120 -0.000 0.000 0.252 1099 V C 1.335 177.360 176.094 -0.114 0.000 1.055 1099 V CA 2.222 64.465 62.300 -0.095 0.000 1.032 1099 V CB -1.008 30.773 31.823 -0.070 0.000 0.655 1099 V HN 0.866 nan 8.190 nan 0.000 0.458 1100 D N 0.227 120.563 120.400 -0.107 0.000 2.417 1100 D HA -0.132 4.508 4.640 -0.000 0.000 0.225 1100 D C 1.298 177.520 176.300 -0.130 0.000 0.983 1100 D CA 1.331 55.265 54.000 -0.111 0.000 0.949 1100 D CB -0.303 40.440 40.800 -0.095 0.000 0.879 1100 D HN 0.645 nan 8.370 nan 0.000 0.520 1101 D N -0.359 119.960 120.400 -0.135 0.000 2.398 1101 D HA 0.079 4.719 4.640 -0.000 0.000 0.210 1101 D C 1.049 177.269 176.300 -0.133 0.000 1.094 1101 D CA 0.089 54.024 54.000 -0.110 0.000 0.839 1101 D CB 0.605 41.356 40.800 -0.082 0.000 0.963 1101 D HN 0.207 nan 8.370 nan 0.000 0.506 1102 K N 0.083 120.343 120.400 -0.234 0.000 2.554 1102 K HA 0.275 4.595 4.320 -0.000 0.000 0.211 1102 K C 0.277 176.572 176.600 -0.508 0.000 1.226 1102 K CA -0.112 55.975 56.287 -0.333 0.000 1.025 1102 K CB 1.727 34.114 32.500 -0.189 0.000 1.021 1102 K HN -0.045 nan 8.250 nan 0.000 0.600 1103 I N 3.639 123.944 120.570 -0.442 0.000 2.372 1103 I HA 0.036 4.206 4.170 -0.000 0.000 0.298 1103 I C -0.353 175.547 176.117 -0.360 0.000 1.137 1103 I CA 0.081 61.198 61.300 -0.304 0.000 1.314 1103 I CB -0.113 37.789 38.000 -0.163 0.000 1.444 1103 I HN 0.047 nan 8.210 nan 0.000 0.541 1104 H N 5.721 124.785 119.070 -0.010 0.000 2.539 1104 H HA 0.591 5.147 4.556 -0.000 0.000 0.332 1104 H C -0.390 174.939 175.328 0.002 0.000 1.031 1104 H CA -0.869 55.177 56.048 -0.003 0.000 1.206 1104 H CB 1.964 31.725 29.762 -0.001 0.000 1.446 1104 H HN 0.576 nan 8.280 nan 0.000 0.496 1105 A N 4.578 127.471 122.820 0.122 0.000 2.586 1105 A HA 0.356 4.676 4.320 -0.000 0.000 0.320 1105 A C 0.066 177.685 177.584 0.058 0.000 1.281 1105 A CA -0.818 51.261 52.037 0.069 0.000 0.775 1105 A CB 0.188 19.212 19.000 0.040 0.000 1.122 1105 A HN 0.637 nan 8.150 nan 0.000 0.470 1106 R N 1.972 122.504 120.500 0.053 0.000 2.565 1106 R HA 0.467 4.807 4.340 -0.000 0.000 0.286 1106 R C 0.026 176.338 176.300 0.020 0.000 1.256 1106 R CA 0.098 56.216 56.100 0.031 0.000 1.238 1106 R CB 0.887 31.199 30.300 0.021 0.000 1.153 1106 R HN 0.604 nan 8.270 nan 0.000 0.553 1107 A N 3.567 126.395 122.820 0.014 0.000 3.204 1107 A HA 0.246 4.566 4.320 -0.000 0.000 0.327 1107 A C -0.028 177.554 177.584 -0.002 0.000 0.998 1107 A CA -0.771 51.269 52.037 0.006 0.000 0.891 1107 A CB 0.220 19.225 19.000 0.008 0.000 1.061 1107 A HN 0.563 nan 8.150 nan 0.000 0.478 1108 R N 0.184 120.680 120.500 -0.006 0.000 2.585 1108 R HA 0.232 4.572 4.340 -0.000 0.000 0.275 1108 R C 1.509 177.800 176.300 -0.014 0.000 1.018 1108 R CA 0.685 56.778 56.100 -0.011 0.000 1.072 1108 R CB 0.750 31.044 30.300 -0.011 0.000 0.953 1108 R HN 0.610 nan 8.270 nan 0.000 0.419 1109 G N 3.891 112.682 108.800 -0.016 0.000 2.622 1109 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.206 1109 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.206 1109 G C -0.985 173.905 174.900 -0.016 0.000 1.458 1109 G CA -0.089 45.001 45.100 -0.016 0.000 0.919 1109 G HN 0.571 nan 8.290 nan 0.000 0.508 1128 L N 0.577 121.820 121.223 0.032 0.000 3.272 1128 L HA -0.004 4.336 4.340 -0.000 0.000 0.701 1128 L C 0.188 177.091 176.870 0.056 0.000 1.155 1128 L CA 1.527 56.398 54.840 0.051 0.000 1.249 1128 L CB -1.284 40.810 42.059 0.058 0.000 1.796 1128 L HN 1.200 nan 8.230 nan 0.000 0.896 1129 R N 1.632 122.174 120.500 0.070 0.000 2.690 1129 R HA 0.578 4.918 4.340 -0.000 0.000 0.269 1129 R C -1.218 175.162 176.300 0.134 0.000 1.037 1129 R CA -1.026 55.132 56.100 0.095 0.000 0.877 1129 R CB 0.671 31.002 30.300 0.051 0.000 1.255 1129 R HN 0.139 nan 8.270 nan 0.000 0.467 1130 F N 1.554 121.524 119.950 0.034 0.000 2.334 1130 F HA 0.494 5.021 4.527 -0.000 0.000 0.343 1130 F C 0.153 175.975 175.800 0.038 0.000 1.136 1130 F CA -0.116 57.915 58.000 0.051 0.000 1.237 1130 F CB 0.986 40.026 39.000 0.068 0.000 1.525 1130 F HN 0.819 nan 8.300 nan 0.000 0.528 1131 G N 2.054 110.790 108.800 -0.107 0.000 2.532 1131 G HA2 0.139 4.099 3.960 -0.000 0.000 0.291 1131 G HA3 0.139 4.099 3.960 -0.000 0.000 0.291 1131 G C 0.680 175.514 174.900 -0.109 0.000 1.349 1131 G CA -0.401 44.664 45.100 -0.059 0.000 1.038 1131 G HN 0.531 nan 8.290 nan 0.000 0.518 1132 E N -0.655 119.516 120.200 -0.048 0.000 2.147 1132 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 1132 E C 2.444 178.996 176.600 -0.078 0.000 1.005 1132 E CA 1.304 57.680 56.400 -0.040 0.000 0.810 1132 E CB -0.169 29.520 29.700 -0.019 0.000 0.736 1132 E HN 0.452 nan 8.360 nan 0.000 0.460 1133 M N 0.209 119.746 119.600 -0.105 0.000 2.200 1133 M HA -0.111 4.369 4.480 -0.000 0.000 0.265 1133 M C 1.839 178.031 176.300 -0.180 0.000 1.066 1133 M CA 1.121 56.353 55.300 -0.114 0.000 1.127 1133 M CB 0.006 32.549 32.600 -0.095 0.000 1.379 1133 M HN -0.086 nan 8.290 nan 0.000 0.420 1134 E N 0.122 120.131 120.200 -0.319 0.000 2.204 1134 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 1134 E C 1.935 178.244 176.600 -0.484 0.000 0.989 1134 E CA 0.859 56.935 56.400 -0.542 0.000 0.824 1134 E CB -0.223 28.830 29.700 -1.078 0.000 0.756 1134 E HN 0.317 nan 8.360 nan 0.000 0.477 1135 R N 0.720 121.036 120.500 -0.307 0.000 2.062 1135 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 1135 R C 1.170 177.490 176.300 0.033 0.000 1.128 1135 R CA 1.508 57.620 56.100 0.019 0.000 0.960 1135 R CB -0.057 30.303 30.300 0.101 0.000 0.855 1135 R HN 0.135 nan 8.270 nan 0.000 0.432 1136 D N 0.447 120.832 120.400 -0.024 0.000 2.123 1136 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 1136 D C 1.998 178.279 176.300 -0.032 0.000 0.992 1136 D CA 1.354 55.342 54.000 -0.020 0.000 0.833 1136 D CB -0.474 40.302 40.800 -0.040 0.000 0.954 1136 D HN 0.321 nan 8.370 nan 0.000 0.455 1137 C N 0.963 120.231 119.300 -0.054 0.000 2.413 1137 C HA -0.164 4.296 4.460 -0.000 0.000 0.278 1137 C C 2.800 177.785 174.990 -0.009 0.000 1.224 1137 C CA 0.593 59.566 59.018 -0.075 0.000 1.732 1137 C CB -0.736 26.973 27.740 -0.053 0.000 2.050 1137 C HN 0.369 nan 8.230 nan 0.000 0.463 1138 M N 0.289 119.968 119.600 0.131 0.000 2.149 1138 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 1138 M C 1.945 178.344 176.300 0.165 0.000 1.064 1138 M CA 1.544 56.987 55.300 0.239 0.000 1.102 1138 M CB -1.470 31.347 32.600 0.362 0.000 1.369 1138 M HN 0.396 nan 8.290 nan 0.000 0.408 1139 I N 0.417 121.053 120.570 0.110 0.000 2.118 1139 I HA -0.311 3.859 4.170 -0.000 0.000 0.241 1139 I C 2.569 178.704 176.117 0.029 0.000 1.070 1139 I CA 1.526 62.870 61.300 0.073 0.000 1.327 1139 I CB -0.586 37.443 38.000 0.049 0.000 1.034 1139 I HN 0.260 nan 8.210 nan 0.000 0.405 1140 A N -0.301 122.496 122.820 -0.038 0.000 1.978 1140 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 1140 A C 2.112 179.642 177.584 -0.090 0.000 1.170 1140 A CA 1.619 53.601 52.037 -0.091 0.000 0.636 1140 A CB -0.911 17.988 19.000 -0.168 0.000 0.810 1140 A HN 0.468 nan 8.150 nan 0.000 0.448 1141 H N -1.163 117.912 119.070 0.008 0.000 2.491 1141 H HA 0.071 4.627 4.556 -0.000 0.000 0.290 1141 H C 1.847 177.183 175.328 0.013 0.000 1.050 1141 H CA 0.979 57.028 56.048 0.002 0.000 1.309 1141 H CB -0.194 29.560 29.762 -0.012 0.000 1.392 1141 H HN 0.665 nan 8.280 nan 0.000 0.554 1142 G N -0.051 108.826 108.800 0.128 0.000 2.132 1142 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.234 1142 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.234 1142 G C 0.540 175.504 174.900 0.105 0.000 0.989 1142 G CA 0.322 45.477 45.100 0.093 0.000 0.676 1142 G HN 0.668 nan 8.290 nan 0.000 0.522 1143 A N 0.136 123.041 122.820 0.141 0.000 3.004 1143 A HA 0.803 5.123 4.320 -0.000 0.000 0.286 1143 A C 1.701 179.386 177.584 0.169 0.000 1.632 1143 A CA 1.032 53.156 52.037 0.144 0.000 1.339 1143 A CB -0.229 18.855 19.000 0.141 0.000 1.136 1143 A HN 1.720 nan 8.150 nan 0.000 0.577 1144 A N 0.981 123.871 122.820 0.117 0.000 1.933 1144 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 1144 A C 2.447 180.083 177.584 0.087 0.000 1.175 1144 A CA 2.090 54.185 52.037 0.097 0.000 0.628 1144 A CB -0.559 18.480 19.000 0.064 0.000 0.814 1144 A HN 0.592 nan 8.150 nan 0.000 0.444 1145 S N -1.371 114.380 115.700 0.085 0.000 2.353 1145 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 1145 S C 1.660 176.282 174.600 0.036 0.000 1.035 1145 S CA 1.601 59.833 58.200 0.053 0.000 1.025 1145 S CB -0.495 62.736 63.200 0.053 0.000 0.902 1145 S HN 0.607 nan 8.310 nan 0.000 0.440 1146 F N 1.946 121.889 119.950 -0.011 0.000 2.091 1146 F HA -0.134 4.393 4.527 0.000 0.000 0.299 1146 F C 1.879 177.644 175.800 -0.060 0.000 1.103 1146 F CA 1.349 59.328 58.000 -0.035 0.000 1.228 1146 F CB -0.378 38.617 39.000 -0.008 0.000 0.984 1146 F HN 0.136 nan 8.300 nan 0.000 0.477 1147 L N 0.318 121.610 121.223 0.114 0.000 2.012 1147 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 1147 L C 2.667 179.483 176.870 -0.089 0.000 1.073 1147 L CA 2.051 56.925 54.840 0.057 0.000 0.748 1147 L CB -0.748 41.400 42.059 0.148 0.000 0.891 1147 L HN 0.130 nan 8.230 nan 0.000 0.431 1148 K N 0.177 120.537 120.400 -0.067 0.000 2.057 1148 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 1148 K C 2.032 178.537 176.600 -0.158 0.000 1.049 1148 K CA 1.724 57.962 56.287 -0.082 0.000 0.931 1148 K CB -0.058 32.417 32.500 -0.042 0.000 0.714 1148 K HN 0.320 nan 8.250 nan 0.000 0.440 1149 E N 0.295 120.353 120.200 -0.238 0.000 2.051 1149 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 1149 E C 2.097 178.469 176.600 -0.380 0.000 0.991 1149 E CA 0.782 57.007 56.400 -0.292 0.000 0.799 1149 E CB 0.090 29.588 29.700 -0.336 0.000 0.748 1149 E HN 0.107 nan 8.360 nan 0.000 0.449 1150 R N 0.125 120.265 120.500 -0.600 0.000 2.237 1150 R HA -0.009 4.330 4.340 -0.000 0.000 0.219 1150 R C 1.639 177.709 176.300 -0.384 0.000 1.080 1150 R CA 0.641 56.356 56.100 -0.642 0.000 0.995 1150 R CB -0.030 29.599 30.300 -1.119 0.000 0.875 1150 R HN 0.320 nan 8.270 nan 0.000 0.462 1151 L N -0.953 120.119 121.223 -0.252 0.000 2.966 1151 L HA 0.325 4.665 4.340 -0.000 0.000 0.262 1151 L C 0.434 177.252 176.870 -0.086 0.000 1.165 1151 L CA -0.327 54.437 54.840 -0.125 0.000 0.978 1151 L CB 0.284 42.308 42.059 -0.057 0.000 1.337 1151 L HN -0.056 nan 8.230 nan 0.000 0.563 1152 M N 1.755 121.293 119.600 -0.104 0.000 2.156 1152 M HA 0.156 4.636 4.480 -0.000 0.000 0.345 1152 M C 0.344 176.610 176.300 -0.057 0.000 1.398 1152 M CA -0.192 55.067 55.300 -0.068 0.000 1.148 1152 M CB 0.623 33.181 32.600 -0.070 0.000 1.663 1152 M HN -0.058 nan 8.290 nan 0.000 0.464 1153 E N 3.353 123.531 120.200 -0.036 0.000 2.415 1153 E HA 0.138 4.488 4.350 -0.000 0.000 0.262 1153 E C 0.753 177.340 176.600 -0.022 0.000 1.038 1153 E CA 0.776 57.160 56.400 -0.027 0.000 0.921 1153 E CB 0.987 30.677 29.700 -0.017 0.000 0.950 1153 E HN 0.755 nan 8.360 nan 0.000 0.438 1154 A N 3.350 126.157 122.820 -0.022 0.000 2.131 1154 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 1154 A C 0.873 178.454 177.584 -0.004 0.000 1.158 1154 A CA 1.208 53.234 52.037 -0.018 0.000 0.665 1154 A CB -1.077 17.911 19.000 -0.019 0.000 0.795 1154 A HN 0.691 nan 8.150 nan 0.000 0.460 1155 S N 1.327 117.031 115.700 0.007 0.000 2.561 1155 S HA 0.027 4.497 4.470 -0.000 0.000 0.294 1155 S C -0.380 174.249 174.600 0.049 0.000 1.294 1155 S CA -0.315 57.903 58.200 0.031 0.000 1.055 1155 S CB 0.120 63.352 63.200 0.053 0.000 0.819 1155 S HN 0.448 nan 8.310 nan 0.000 0.503 1156 D N 1.657 122.094 120.400 0.062 0.000 2.488 1156 D HA 0.201 4.841 4.640 -0.000 0.000 0.238 1156 D C 0.413 176.807 176.300 0.157 0.000 1.138 1156 D CA 0.460 54.513 54.000 0.089 0.000 0.873 1156 D CB 0.499 41.350 40.800 0.084 0.000 1.183 1156 D HN 0.820 nan 8.370 nan 0.000 0.458 1157 A N 3.669 126.558 122.820 0.116 0.000 3.051 1157 A HA 0.061 4.381 4.320 -0.000 0.000 0.257 1157 A C 0.220 177.932 177.584 0.213 0.000 1.785 1157 A CA -0.496 51.619 52.037 0.130 0.000 1.420 1157 A CB -1.060 17.959 19.000 0.030 0.000 1.063 1157 A HN 0.437 nan 8.150 nan 0.000 0.630 1158 F N 1.530 121.567 119.950 0.145 0.000 2.647 1158 F HA 0.053 4.580 4.527 -0.000 0.000 0.363 1158 F C 1.017 176.920 175.800 0.170 0.000 1.130 1158 F CA 0.639 58.747 58.000 0.181 0.000 1.351 1158 F CB 0.550 39.726 39.000 0.294 0.000 1.026 1158 F HN 0.448 nan 8.300 nan 0.000 0.607 1159 R N 5.761 125.814 120.500 -0.745 0.000 2.295 1159 R HA 0.559 4.899 4.340 -0.000 0.000 0.324 1159 R C -1.817 173.942 176.300 -0.902 0.000 0.968 1159 R CA -0.377 55.378 56.100 -0.575 0.000 0.837 1159 R CB 0.686 30.797 30.300 -0.314 0.000 1.133 1159 R HN 0.544 nan 8.270 nan 0.000 0.450 1160 V N 3.772 123.353 119.914 -0.555 0.000 3.046 1160 V HA 0.508 4.628 4.120 -0.000 0.000 0.316 1160 V C -0.180 175.633 176.094 -0.468 0.000 1.104 1160 V CA -0.982 61.103 62.300 -0.359 0.000 1.006 1160 V CB 2.272 34.075 31.823 -0.033 0.000 1.058 1160 V HN 0.713 nan 8.190 nan 0.000 0.440 1161 H N 2.055 121.104 119.070 -0.036 0.000 2.524 1161 H HA 0.713 5.269 4.556 -0.000 0.000 0.353 1161 H C -1.043 174.272 175.328 -0.023 0.000 1.136 1161 H CA -0.368 55.655 56.048 -0.041 0.000 1.193 1161 H CB 2.399 32.166 29.762 0.008 0.000 1.558 1161 H HN 0.450 nan 8.280 nan 0.000 0.515 1162 I N 1.418 122.030 120.570 0.069 0.000 2.769 1162 I HA 0.109 4.279 4.170 -0.000 0.000 0.298 1162 I C 0.225 176.366 176.117 0.039 0.000 1.128 1162 I CA -0.869 60.445 61.300 0.023 0.000 1.031 1162 I CB 2.582 40.556 38.000 -0.043 0.000 1.235 1162 I HN 0.523 nan 8.210 nan 0.000 0.423 1163 C N 3.395 122.700 119.300 0.009 0.000 2.605 1163 C HA 0.457 4.917 4.460 -0.000 0.000 0.404 1163 C C 1.736 176.762 174.990 0.060 0.000 1.284 1163 C CA 0.098 59.132 59.018 0.026 0.000 2.199 1163 C CB 0.346 28.094 27.740 0.013 0.000 2.647 1163 C HN 1.039 nan 8.230 nan 0.000 0.604 1164 G N 3.468 112.349 108.800 0.135 0.000 2.712 1164 G HA2 0.052 4.012 3.960 -0.000 0.000 0.212 1164 G HA3 0.052 4.012 3.960 -0.000 0.000 0.212 1164 G C 1.112 176.157 174.900 0.242 0.000 1.142 1164 G CA 0.577 45.828 45.100 0.253 0.000 0.789 1164 G HN 0.830 nan 8.290 nan 0.000 0.535 1165 I N 0.438 121.103 120.570 0.158 0.000 2.385 1165 I HA 0.080 4.250 4.170 -0.000 0.000 0.244 1165 I C 1.137 177.372 176.117 0.197 0.000 1.089 1165 I CA 0.267 61.669 61.300 0.170 0.000 1.410 1165 I CB -0.057 38.000 38.000 0.095 0.000 1.117 1165 I HN 0.260 nan 8.210 nan 0.000 0.429 1166 C N 0.866 120.205 119.300 0.065 0.000 2.322 1166 C HA 0.694 5.154 4.460 -0.000 0.000 0.324 1166 C C 1.261 176.112 174.990 -0.231 0.000 1.284 1166 C CA -0.940 58.068 59.018 -0.017 0.000 1.606 1166 C CB 0.130 27.866 27.740 -0.006 0.000 2.251 1166 C HN 0.541 nan 8.230 nan 0.000 0.502 1167 G N 3.878 112.356 108.800 -0.537 0.000 3.352 1167 G HA2 0.320 4.280 3.960 -0.000 0.000 0.236 1167 G HA3 0.320 4.280 3.960 -0.000 0.000 0.236 1167 G C 0.094 174.780 174.900 -0.358 0.000 1.324 1167 G CA -0.081 44.611 45.100 -0.680 0.000 1.404 1167 G HN 0.804 nan 8.290 nan 0.000 0.542 1168 L N -0.702 120.395 121.223 -0.211 0.000 2.352 1168 L HA 0.466 4.806 4.340 -0.000 0.000 0.269 1168 L C 0.952 177.778 176.870 -0.073 0.000 1.034 1168 L CA -0.895 53.867 54.840 -0.131 0.000 0.806 1168 L CB 1.727 43.740 42.059 -0.075 0.000 1.244 1168 L HN 0.083 nan 8.230 nan 0.000 0.447 1169 M N 0.907 120.487 119.600 -0.033 0.000 3.443 1169 M HA 0.118 4.598 4.480 -0.000 0.000 0.228 1169 M C 0.516 176.848 176.300 0.054 0.000 1.227 1169 M CA -0.099 55.218 55.300 0.027 0.000 1.321 1169 M CB -0.603 32.034 32.600 0.061 0.000 1.134 1169 M HN 0.660 nan 8.290 nan 0.000 0.567 1170 T N -2.937 111.639 114.554 0.037 0.000 3.163 1170 T HA 0.224 4.574 4.350 -0.000 0.000 0.252 1170 T C 0.406 175.142 174.700 0.059 0.000 1.056 1170 T CA -0.286 61.840 62.100 0.044 0.000 0.947 1170 T CB -0.312 68.571 68.868 0.025 0.000 1.016 1170 T HN 0.215 nan 8.240 nan 0.000 0.554 1171 V N 2.867 122.829 119.914 0.081 0.000 2.439 1171 V HA 0.296 4.416 4.120 -0.000 0.000 0.271 1171 V C 0.518 176.672 176.094 0.101 0.000 1.040 1171 V CA -0.724 61.634 62.300 0.095 0.000 1.002 1171 V CB 0.144 32.041 31.823 0.123 0.000 1.000 1171 V HN 0.517 nan 8.190 nan 0.000 0.477 1172 I N 5.026 125.637 120.570 0.068 0.000 2.329 1172 I HA 0.358 4.528 4.170 -0.000 0.000 0.295 1172 I C 0.806 176.924 176.117 0.001 0.000 1.109 1172 I CA 0.124 61.450 61.300 0.043 0.000 1.297 1172 I CB 0.668 38.682 38.000 0.023 0.000 1.433 1172 I HN 0.670 nan 8.210 nan 0.000 0.509 1173 A N 7.406 130.212 122.820 -0.023 0.000 2.269 1173 A HA 0.389 4.709 4.320 -0.000 0.000 0.302 1173 A C 0.116 177.564 177.584 -0.225 0.000 1.266 1173 A CA -0.626 51.309 52.037 -0.171 0.000 0.894 1173 A CB 0.083 18.898 19.000 -0.309 0.000 1.147 1173 A HN 0.688 nan 8.150 nan 0.000 0.537 1174 K N 4.105 124.269 120.400 -0.394 0.000 2.291 1174 K HA 0.279 4.599 4.320 -0.000 0.000 0.242 1174 K C 0.271 176.642 176.600 -0.382 0.000 1.098 1174 K CA -0.186 55.940 56.287 -0.269 0.000 1.036 1174 K CB 0.605 33.008 32.500 -0.162 0.000 1.655 1174 K HN 0.729 nan 8.250 nan 0.000 0.432 1175 L N 0.852 121.916 121.223 -0.265 0.000 2.353 1175 L HA -0.191 4.149 4.340 -0.000 0.000 0.220 1175 L C 1.630 178.393 176.870 -0.178 0.000 1.133 1175 L CA 0.870 55.597 54.840 -0.188 0.000 0.798 1175 L CB -0.343 41.695 42.059 -0.036 0.000 0.922 1175 L HN 0.569 nan 8.230 nan 0.000 0.445 1176 N N -0.935 117.612 118.700 -0.255 0.000 2.258 1176 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 1176 N C 1.648 176.951 175.510 -0.345 0.000 1.029 1176 N CA 0.938 53.790 53.050 -0.330 0.000 0.857 1176 N CB -0.053 38.141 38.487 -0.489 0.000 1.008 1176 N HN 0.417 nan 8.380 nan 0.000 0.433 1177 H N 1.280 120.280 119.070 -0.118 0.000 2.551 1177 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 1177 H C -0.056 175.182 175.328 -0.151 0.000 0.977 1177 H CA 0.177 56.157 56.048 -0.113 0.000 1.163 1177 H CB -0.037 29.660 29.762 -0.109 0.000 1.381 1177 H HN 0.167 nan 8.280 nan 0.000 0.581 1178 N N 1.930 120.533 118.700 -0.162 0.000 2.699 1178 N HA -0.179 4.561 4.740 -0.000 0.000 0.257 1178 N C -0.878 174.434 175.510 -0.329 0.000 1.077 1178 N CA 0.473 53.371 53.050 -0.252 0.000 0.702 1178 N CB -1.206 37.244 38.487 -0.061 0.000 0.886 1178 N HN 0.603 nan 8.380 nan 0.000 0.549 1179 Q N 0.536 119.993 119.800 -0.572 0.000 2.295 1179 Q HA 0.415 4.755 4.340 -0.000 0.000 0.259 1179 Q C -1.092 174.571 176.000 -0.561 0.000 0.966 1179 Q CA -0.333 55.230 55.803 -0.400 0.000 0.763 1179 Q CB 0.997 29.629 28.738 -0.176 0.000 1.283 1179 Q HN 0.203 nan 8.270 nan 0.000 0.445 1180 F N 1.192 121.097 119.950 -0.074 0.000 2.426 1180 F HA 0.454 4.981 4.527 -0.000 0.000 0.348 1180 F C 0.271 176.034 175.800 -0.062 0.000 1.124 1180 F CA -0.675 57.265 58.000 -0.100 0.000 1.008 1180 F CB 1.584 40.502 39.000 -0.137 0.000 1.139 1180 F HN 0.378 nan 8.300 nan 0.000 0.452 1181 E N 2.566 122.821 120.200 0.091 0.000 2.263 1181 E HA 0.449 4.799 4.350 -0.000 0.000 0.268 1181 E C -1.838 174.790 176.600 0.048 0.000 0.884 1181 E CA -0.631 55.801 56.400 0.054 0.000 0.766 1181 E CB 2.148 31.860 29.700 0.019 0.000 1.196 1181 E HN 0.786 nan 8.360 nan 0.000 0.416 1182 C N 6.625 125.950 119.300 0.042 0.000 2.321 1182 C HA 0.466 4.926 4.460 -0.000 0.000 0.323 1182 C C -0.081 174.925 174.990 0.026 0.000 1.191 1182 C CA -0.784 58.255 59.018 0.035 0.000 1.455 1182 C CB -0.315 27.446 27.740 0.035 0.000 2.083 1182 C HN 0.653 nan 8.230 nan 0.000 0.442 1183 K N 2.373 122.787 120.400 0.022 0.000 2.156 1183 K HA 0.362 4.682 4.320 -0.000 0.000 0.242 1183 K C 1.416 178.027 176.600 0.018 0.000 1.033 1183 K CA 1.099 57.397 56.287 0.018 0.000 0.878 1183 K CB 0.305 32.814 32.500 0.015 0.000 1.057 1183 K HN 1.291 nan 8.250 nan 0.000 0.505 1184 G N -0.449 108.361 108.800 0.016 0.000 2.284 1184 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.261 1184 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.261 1184 G C 0.923 175.835 174.900 0.020 0.000 0.997 1184 G CA 0.513 45.623 45.100 0.017 0.000 0.621 1184 G HN 0.533 nan 8.290 nan 0.000 0.534 1185 C N -0.005 119.308 119.300 0.021 0.000 3.724 1185 C HA 0.422 4.882 4.460 -0.000 0.000 0.327 1185 C C 1.026 176.029 174.990 0.022 0.000 1.490 1185 C CA 0.098 59.131 59.018 0.025 0.000 1.825 1185 C CB 0.004 27.762 27.740 0.029 0.000 2.613 1185 C HN 0.624 nan 8.230 nan 0.000 0.692 1186 D N 2.078 122.490 120.400 0.019 0.000 2.811 1186 D HA -0.146 4.494 4.640 -0.000 0.000 0.231 1186 D C -0.434 175.876 176.300 0.017 0.000 1.157 1186 D CA 0.948 54.957 54.000 0.016 0.000 0.716 1186 D CB -0.907 39.901 40.800 0.014 0.000 1.077 1186 D HN 0.487 nan 8.370 nan 0.000 0.428 1187 N N 0.238 118.950 118.700 0.020 0.000 2.400 1187 N HA 0.277 5.017 4.740 -0.000 0.000 0.288 1187 N C 0.954 176.478 175.510 0.023 0.000 1.024 1187 N CA -0.116 52.944 53.050 0.018 0.000 0.894 1187 N CB 1.183 39.681 38.487 0.019 0.000 1.173 1187 N HN 0.061 nan 8.380 nan 0.000 0.487 1188 K N 2.034 122.446 120.400 0.020 0.000 2.567 1188 K HA 0.333 4.653 4.320 -0.000 0.000 0.218 1188 K C 0.941 177.560 176.600 0.032 0.000 1.440 1188 K CA 0.038 56.349 56.287 0.040 0.000 0.995 1188 K CB 0.967 33.488 32.500 0.035 0.000 1.186 1188 K HN 0.389 nan 8.250 nan 0.000 0.593 1189 I N 0.922 121.488 120.570 -0.006 0.000 2.834 1189 I HA -0.039 4.131 4.170 -0.000 0.000 0.239 1189 I C 0.541 176.590 176.117 -0.114 0.000 1.073 1189 I CA 0.252 61.527 61.300 -0.041 0.000 1.459 1189 I CB 0.184 38.165 38.000 -0.031 0.000 1.288 1189 I HN 0.016 nan 8.210 nan 0.000 0.455 1190 D N 2.702 123.044 120.400 -0.098 0.000 2.422 1190 D HA 0.181 4.821 4.640 -0.000 0.000 0.263 1190 D C -0.538 175.646 176.300 -0.194 0.000 1.334 1190 D CA 0.768 54.679 54.000 -0.148 0.000 1.105 1190 D CB -0.383 40.395 40.800 -0.037 0.000 1.107 1190 D HN 0.099 nan 8.370 nan 0.000 0.522 1191 I N 2.334 122.664 120.570 -0.400 0.000 3.006 1191 I HA 0.389 4.559 4.170 -0.000 0.000 0.306 1191 I C -0.900 174.824 176.117 -0.656 0.000 1.250 1191 I CA -1.045 60.042 61.300 -0.355 0.000 0.996 1191 I CB 1.739 39.577 38.000 -0.270 0.000 1.261 1191 I HN 0.130 nan 8.210 nan 0.000 0.442 1192 Y N 1.038 121.264 120.300 -0.124 0.000 2.705 1192 Y HA 0.561 5.111 4.550 -0.000 0.000 0.332 1192 Y C -0.562 175.251 175.900 -0.144 0.000 1.157 1192 Y CA -0.705 57.317 58.100 -0.131 0.000 1.091 1192 Y CB 1.824 40.223 38.460 -0.101 0.000 1.301 1192 Y HN 0.410 nan 8.280 nan 0.000 0.488 1193 Q N 2.231 122.040 119.800 0.015 0.000 2.372 1193 Q HA 0.781 5.121 4.340 -0.000 0.000 0.273 1193 Q C -1.683 174.168 176.000 -0.250 0.000 1.078 1193 Q CA -0.797 54.893 55.803 -0.189 0.000 0.806 1193 Q CB 2.649 31.255 28.738 -0.220 0.000 1.332 1193 Q HN 0.702 nan 8.270 nan 0.000 0.435 1194 I N -1.022 119.327 120.570 -0.369 0.000 2.994 1194 I HA 0.555 4.725 4.170 -0.000 0.000 0.306 1194 I C -1.507 174.341 176.117 -0.447 0.000 1.195 1194 I CA -1.028 60.069 61.300 -0.338 0.000 1.001 1194 I CB 2.589 40.496 38.000 -0.155 0.000 1.244 1194 I HN 0.616 nan 8.210 nan 0.000 0.437 1195 H N 5.486 124.521 119.070 -0.058 0.000 2.638 1195 H HA 0.658 5.214 4.556 -0.000 0.000 0.317 1195 H C -0.800 174.535 175.328 0.012 0.000 1.006 1195 H CA -0.408 55.615 56.048 -0.041 0.000 1.222 1195 H CB 1.836 31.577 29.762 -0.035 0.000 1.419 1195 H HN 0.691 nan 8.280 nan 0.000 0.489 1196 I N 0.601 121.267 120.570 0.159 0.000 2.686 1196 I HA 0.506 4.676 4.170 -0.000 0.000 0.295 1196 I C -2.880 173.335 176.117 0.164 0.000 1.114 1196 I CA -2.678 58.708 61.300 0.144 0.000 1.038 1196 I CB 3.118 41.207 38.000 0.148 0.000 1.238 1196 I HN 0.135 nan 8.210 nan 0.000 0.420 1197 P HA -0.116 nan 4.420 nan 0.000 0.265 1197 P C 0.053 177.420 177.300 0.111 0.000 1.187 1197 P CA 0.346 63.513 63.100 0.111 0.000 0.766 1197 P CB 0.622 32.350 31.700 0.046 0.000 0.820 1198 Y N 3.623 123.946 120.300 0.038 0.000 2.241 1198 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 1198 Y C 2.593 178.440 175.900 -0.089 0.000 1.166 1198 Y CA 2.423 60.500 58.100 -0.037 0.000 1.203 1198 Y CB -0.979 37.424 38.460 -0.096 0.000 0.977 1198 Y HN 0.502 nan 8.280 nan 0.000 0.529 1199 A N -0.229 122.581 122.820 -0.017 0.000 1.948 1199 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 1199 A C 2.431 179.855 177.584 -0.267 0.000 1.177 1199 A CA 2.032 54.004 52.037 -0.108 0.000 0.636 1199 A CB -1.334 17.626 19.000 -0.066 0.000 0.815 1199 A HN 0.535 nan 8.150 nan 0.000 0.449 1200 A N -0.517 122.121 122.820 -0.302 0.000 1.872 1200 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 1200 A C 2.152 179.318 177.584 -0.697 0.000 1.187 1200 A CA 1.702 53.379 52.037 -0.601 0.000 0.614 1200 A CB -0.446 18.330 19.000 -0.372 0.000 0.826 1200 A HN 0.426 nan 8.150 nan 0.000 0.442 1201 K N -0.068 120.128 120.400 -0.340 0.000 2.074 1201 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 1201 K C 1.934 178.335 176.600 -0.331 0.000 1.048 1201 K CA 1.694 57.840 56.287 -0.235 0.000 0.926 1201 K CB -0.394 31.874 32.500 -0.387 0.000 0.713 1201 K HN 0.508 nan 8.250 nan 0.000 0.444 1202 L N 0.636 121.573 121.223 -0.478 0.000 2.005 1202 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 1202 L C 2.584 179.323 176.870 -0.218 0.000 1.072 1202 L CA 0.521 55.169 54.840 -0.321 0.000 0.744 1202 L CB -0.452 41.449 42.059 -0.264 0.000 0.895 1202 L HN 0.210 nan 8.230 nan 0.000 0.433 1203 L N -0.500 120.538 121.223 -0.309 0.000 2.129 1203 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 1203 L C 2.099 178.876 176.870 -0.155 0.000 1.087 1203 L CA 1.886 56.559 54.840 -0.278 0.000 0.757 1203 L CB -0.611 41.195 42.059 -0.422 0.000 0.896 1203 L HN 0.087 nan 8.230 nan 0.000 0.434 1204 F N -1.088 118.820 119.950 -0.071 0.000 2.219 1204 F HA -0.115 4.412 4.527 -0.000 0.000 0.294 1204 F C 2.529 178.298 175.800 -0.052 0.000 1.086 1204 F CA 0.649 58.615 58.000 -0.056 0.000 1.330 1204 F CB -0.239 38.726 39.000 -0.058 0.000 1.047 1204 F HN 0.077 nan 8.300 nan 0.000 0.495 1205 Q N 0.490 120.359 119.800 0.114 0.000 2.170 1205 Q HA -0.218 4.122 4.340 -0.000 0.000 0.203 1205 Q C 1.830 177.850 176.000 0.033 0.000 0.976 1205 Q CA 1.451 57.283 55.803 0.049 0.000 0.858 1205 Q CB -0.237 28.500 28.738 -0.002 0.000 0.907 1205 Q HN 0.520 nan 8.270 nan 0.000 0.433 1206 E N 0.359 120.569 120.200 0.017 0.000 2.150 1206 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 1206 E C 1.935 178.554 176.600 0.031 0.000 0.985 1206 E CA 0.633 57.040 56.400 0.011 0.000 0.814 1206 E CB 0.054 29.747 29.700 -0.010 0.000 0.752 1206 E HN 0.344 nan 8.360 nan 0.000 0.466 1207 L N 0.021 121.281 121.223 0.061 0.000 2.072 1207 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 1207 L C 2.520 179.416 176.870 0.044 0.000 1.079 1207 L CA 0.894 55.772 54.840 0.064 0.000 0.752 1207 L CB -0.312 41.812 42.059 0.109 0.000 0.906 1207 L HN 0.227 nan 8.230 nan 0.000 0.436 1208 M N -0.369 119.259 119.600 0.046 0.000 2.108 1208 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 1208 M C 2.520 178.833 176.300 0.022 0.000 1.066 1208 M CA 1.922 57.239 55.300 0.028 0.000 1.107 1208 M CB -0.517 32.100 32.600 0.027 0.000 1.356 1208 M HN 0.313 nan 8.290 nan 0.000 0.406 1209 A N 0.034 122.868 122.820 0.023 0.000 1.978 1209 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 1209 A C 1.879 179.472 177.584 0.016 0.000 1.170 1209 A CA 1.382 53.429 52.037 0.017 0.000 0.636 1209 A CB -0.576 18.433 19.000 0.014 0.000 0.810 1209 A HN 0.505 nan 8.150 nan 0.000 0.448 1210 M N -0.359 119.252 119.600 0.018 0.000 2.719 1210 M HA 0.122 4.602 4.480 -0.000 0.000 0.247 1210 M C 0.377 176.687 176.300 0.016 0.000 1.287 1210 M CA -0.035 55.275 55.300 0.016 0.000 1.004 1210 M CB -0.522 32.089 32.600 0.017 0.000 1.514 1210 M HN 0.570 nan 8.290 nan 0.000 0.462 1211 N N 1.546 120.256 118.700 0.015 0.000 2.714 1211 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 1211 N C -0.890 174.628 175.510 0.014 0.000 1.117 1211 N CA 0.523 53.581 53.050 0.014 0.000 0.719 1211 N CB -0.431 38.063 38.487 0.012 0.000 1.081 1211 N HN 0.442 nan 8.380 nan 0.000 0.557 1212 I N 1.511 122.091 120.570 0.016 0.000 2.362 1212 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 1212 I C 0.575 176.697 176.117 0.009 0.000 0.994 1212 I CA -0.569 60.740 61.300 0.015 0.000 1.158 1212 I CB 1.737 39.750 38.000 0.023 0.000 1.315 1212 I HN 0.005 nan 8.210 nan 0.000 0.451 1213 T N 3.955 118.507 114.554 -0.003 0.000 2.747 1213 T HA 0.401 4.751 4.350 -0.000 0.000 0.301 1213 T C -2.091 172.578 174.700 -0.053 0.000 0.952 1213 T CA -1.553 60.532 62.100 -0.025 0.000 0.983 1213 T CB 0.696 69.553 68.868 -0.019 0.000 0.930 1213 T HN 0.397 nan 8.240 nan 0.000 0.494 1214 P HA 0.321 nan 4.420 nan 0.000 0.219 1214 P C -0.358 176.758 177.300 -0.307 0.000 1.847 1214 P CA -0.706 62.278 63.100 -0.194 0.000 1.110 1214 P CB 0.214 31.772 31.700 -0.235 0.000 1.839 1215 R N 2.192 122.566 120.500 -0.210 0.000 2.421 1215 R HA 0.265 4.605 4.340 -0.000 0.000 0.305 1215 R C 0.273 176.346 176.300 -0.379 0.000 1.039 1215 R CA -0.187 55.734 56.100 -0.298 0.000 1.003 1215 R CB 0.322 30.519 30.300 -0.172 0.000 0.959 1215 R HN 0.430 nan 8.270 nan 0.000 0.427 1216 L N 4.921 125.848 121.223 -0.494 0.000 2.257 1216 L HA 0.355 4.695 4.340 -0.000 0.000 0.290 1216 L C -0.562 176.007 176.870 -0.501 0.000 1.044 1216 L CA -0.593 54.007 54.840 -0.400 0.000 0.810 1216 L CB 0.306 42.155 42.059 -0.350 0.000 1.193 1216 L HN 0.494 nan 8.230 nan 0.000 0.425 1217 Y N 0.431 120.654 120.300 -0.130 0.000 2.377 1217 Y HA 0.166 4.716 4.550 0.000 0.000 0.339 1217 Y C 1.547 177.343 175.900 -0.173 0.000 1.011 1217 Y CA -0.603 57.417 58.100 -0.133 0.000 1.093 1217 Y CB 2.103 40.497 38.460 -0.111 0.000 1.201 1217 Y HN 0.632 nan 8.280 nan 0.000 0.455 1218 T N -2.883 111.606 114.554 -0.108 0.000 3.088 1218 T HA -0.013 4.337 4.350 -0.000 0.000 0.259 1218 T C -0.014 174.583 174.700 -0.172 0.000 1.122 1218 T CA 0.266 62.211 62.100 -0.258 0.000 1.095 1218 T CB -0.263 68.202 68.868 -0.673 0.000 0.930 1218 T HN 0.629 nan 8.240 nan 0.000 0.508 1219 D N 0.184 120.536 120.400 -0.080 0.000 2.269 1219 D HA 0.365 5.005 4.640 -0.000 0.000 0.244 1219 D C 0.630 176.896 176.300 -0.057 0.000 0.992 1219 D CA -0.943 53.017 54.000 -0.068 0.000 0.894 1219 D CB 2.770 43.536 40.800 -0.058 0.000 1.248 1219 D HN -0.002 nan 8.370 nan 0.000 0.468 1220 R N 0.618 121.082 120.500 -0.060 0.000 2.062 1220 R HA -0.007 4.333 4.340 -0.000 0.000 0.218 1220 R C 0.791 177.038 176.300 -0.090 0.000 1.161 1220 R CA 0.312 56.372 56.100 -0.068 0.000 0.994 1220 R CB -0.058 30.214 30.300 -0.047 0.000 0.888 1220 R HN 0.546 nan 8.270 nan 0.000 0.442 1221 S N 2.373 118.038 115.700 -0.058 0.000 2.670 1221 S HA 0.102 4.572 4.470 -0.000 0.000 0.328 1221 S C -0.140 174.427 174.600 -0.055 0.000 1.179 1221 S CA -0.734 57.442 58.200 -0.039 0.000 1.194 1221 S CB 0.206 63.405 63.200 -0.003 0.000 1.359 1221 S HN 0.178 nan 8.310 nan 0.000 0.555 1222 R N 2.461 122.893 120.500 -0.114 0.000 2.951 1222 R HA 0.170 4.510 4.340 -0.000 0.000 0.141 1222 R C 0.966 177.264 176.300 -0.002 0.000 0.691 1222 R CA 0.088 56.103 56.100 -0.141 0.000 1.548 1222 R CB -0.596 29.540 30.300 -0.274 0.000 0.559 1222 R HN 0.423 nan 8.270 nan 0.000 0.572 1223 D N -0.375 120.054 120.400 0.047 0.000 2.378 1223 D HA -0.020 4.620 4.640 -0.000 0.000 0.222 1223 D C 0.400 176.825 176.300 0.209 0.000 0.980 1223 D CA 0.659 54.722 54.000 0.106 0.000 0.907 1223 D CB -0.092 40.763 40.800 0.093 0.000 0.899 1223 D HN 0.110 nan 8.370 nan 0.000 0.527 1224 F N 0.000 119.917 119.950 -0.056 0.000 2.286 1224 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1224 F CA 0.000 57.975 58.000 -0.041 0.000 1.383 1224 F CB 0.000 38.974 39.000 -0.043 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574