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 2o5j_1_D DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKDYECACG KYKRQRFEGK VCERCGVEVT KSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLSAT ELEQVLYFSK YIVLDPKGAI LNGVPVEKRQ DATA SEQUENCE LLTDEEYREL RYGKQETYPL PPGVDALVKD GEEVVKGQEL APGVVSRLDG DATA SEQUENCE VALYRFXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLTMRTF HTGGVAGAAD DATA SEQUENCE ITQGLPRVIE LFEARRPKAK XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.610 176.600 0.017 0.000 0.988 2 K CA 0.000 56.299 56.287 0.020 0.000 0.838 2 K CB 0.000 32.511 32.500 0.019 0.000 1.064 3 K N 1.506 121.918 120.400 0.020 0.000 2.230 3 K HA 0.026 4.345 4.320 -0.001 0.000 0.253 3 K C -0.133 176.477 176.600 0.016 0.000 1.008 3 K CA -0.087 56.212 56.287 0.019 0.000 0.910 3 K CB 0.680 33.194 32.500 0.023 0.000 0.994 3 K HN 0.114 nan 8.250 nan 0.000 0.495 4 E N 1.463 121.672 120.200 0.015 0.000 2.259 4 E HA 0.092 4.441 4.350 -0.001 0.000 0.281 4 E C -0.656 175.953 176.600 0.014 0.000 1.027 4 E CA -0.833 55.573 56.400 0.010 0.000 0.838 4 E CB 0.942 30.645 29.700 0.006 0.000 1.066 4 E HN 0.389 nan 8.360 nan 0.000 0.401 5 V N 3.543 123.464 119.914 0.011 0.000 2.421 5 V HA 0.227 4.346 4.120 -0.001 0.000 0.271 5 V C 0.681 176.783 176.094 0.012 0.000 1.031 5 V CA -0.187 62.122 62.300 0.016 0.000 1.032 5 V CB 0.841 32.671 31.823 0.012 0.000 1.009 5 V HN 0.739 nan 8.190 nan 0.000 0.477 6 R N 2.475 122.987 120.500 0.020 0.000 2.419 6 R HA 0.421 4.760 4.340 -0.001 0.000 0.235 6 R C -0.043 176.268 176.300 0.019 0.000 0.899 6 R CA 0.219 56.329 56.100 0.016 0.000 1.048 6 R CB 0.480 30.794 30.300 0.023 0.000 1.182 6 R HN 0.761 nan 8.270 nan 0.000 0.544 7 K N -0.481 119.940 120.400 0.036 0.000 2.535 7 K HA 0.356 4.675 4.320 -0.001 0.000 0.251 7 K C -1.526 175.130 176.600 0.094 0.000 0.942 7 K CA -0.631 55.689 56.287 0.054 0.000 0.798 7 K CB 2.616 35.157 32.500 0.069 0.000 1.267 7 K HN -0.098 nan 8.250 nan 0.000 0.434 8 V N 0.171 120.159 119.914 0.123 0.000 2.732 8 V HA 0.727 4.847 4.120 -0.001 0.000 0.310 8 V C -0.418 175.989 176.094 0.521 0.000 1.053 8 V CA -0.958 61.509 62.300 0.278 0.000 0.957 8 V CB 1.720 33.688 31.823 0.242 0.000 1.018 8 V HN 0.776 nan 8.190 nan 0.000 0.452 9 R N 2.742 123.514 120.500 0.453 0.000 2.515 9 R HA 0.590 4.930 4.340 -0.001 0.000 0.278 9 R C -1.909 174.377 176.300 -0.023 0.000 1.107 9 R CA -0.677 55.570 56.100 0.245 0.000 0.945 9 R CB 1.875 32.273 30.300 0.164 0.000 1.219 9 R HN 0.861 nan 8.270 nan 0.000 0.434 10 I N 3.438 123.788 120.570 -0.366 0.000 2.331 10 I HA 0.606 4.776 4.170 -0.001 0.000 0.292 10 I C -0.028 176.006 176.117 -0.138 0.000 0.998 10 I CA -0.722 60.365 61.300 -0.354 0.000 1.267 10 I CB 1.705 39.322 38.000 -0.638 0.000 1.386 10 I HN 0.699 nan 8.210 nan 0.000 0.476 11 A N 6.600 129.404 122.820 -0.027 0.000 2.515 11 A HA 0.697 5.017 4.320 -0.001 0.000 0.298 11 A C -0.603 177.038 177.584 0.094 0.000 1.059 11 A CA -0.631 51.441 52.037 0.058 0.000 0.698 11 A CB 1.382 20.430 19.000 0.080 0.000 1.289 11 A HN 0.685 nan 8.150 nan 0.000 0.404 12 L N 0.885 122.200 121.223 0.154 0.000 2.473 12 L HA 0.378 4.718 4.340 -0.001 0.000 0.265 12 L C 0.944 177.836 176.870 0.036 0.000 1.243 12 L CA -0.082 54.823 54.840 0.108 0.000 0.822 12 L CB 0.793 42.964 42.059 0.187 0.000 1.101 12 L HN 0.871 nan 8.230 nan 0.000 0.507 13 A N 1.321 124.103 122.820 -0.062 0.000 2.305 13 A HA 0.552 4.871 4.320 -0.001 0.000 0.322 13 A C -0.343 176.876 177.584 -0.608 0.000 1.187 13 A CA -0.440 51.489 52.037 -0.180 0.000 0.825 13 A CB 0.858 19.916 19.000 0.096 0.000 1.164 13 A HN 0.635 nan 8.150 nan 0.000 0.498 14 S N 3.888 119.017 115.700 -0.952 0.000 2.537 14 S HA 0.324 4.794 4.470 -0.001 0.000 0.275 14 S C -1.863 172.222 174.600 -0.859 0.000 1.272 14 S CA -0.894 56.410 58.200 -1.494 0.000 1.050 14 S CB 1.112 63.477 63.200 -1.391 0.000 0.961 14 S HN 0.566 nan 8.310 nan 0.000 0.496 15 P HA -0.185 nan 4.420 nan 0.000 0.218 15 P C 1.037 178.112 177.300 -0.375 0.000 1.154 15 P CA 1.209 64.102 63.100 -0.345 0.000 0.872 15 P CB 0.181 31.770 31.700 -0.186 0.000 0.790 16 E N -0.682 119.258 120.200 -0.433 0.000 2.106 16 E HA -0.132 4.218 4.350 -0.001 0.000 0.192 16 E C 1.875 178.169 176.600 -0.511 0.000 0.984 16 E CA 1.076 57.241 56.400 -0.392 0.000 0.806 16 E CB -0.645 28.860 29.700 -0.325 0.000 0.750 16 E HN 0.214 nan 8.360 nan 0.000 0.458 17 K N 0.189 120.183 120.400 -0.676 0.000 2.147 17 K HA -0.097 4.222 4.320 -0.001 0.000 0.205 17 K C 1.839 177.702 176.600 -1.228 0.000 1.049 17 K CA 0.676 56.374 56.287 -0.982 0.000 0.936 17 K CB -0.054 31.785 32.500 -1.102 0.000 0.722 17 K HN 0.111 nan 8.250 nan 0.000 0.446 18 I N 1.624 121.725 120.570 -0.782 0.000 2.091 18 I HA -0.335 3.834 4.170 -0.001 0.000 0.239 18 I C 2.146 178.142 176.117 -0.201 0.000 1.061 18 I CA 1.602 62.716 61.300 -0.310 0.000 1.317 18 I CB -1.054 36.897 38.000 -0.082 0.000 1.031 18 I HN 0.243 nan 8.210 nan 0.000 0.401 19 R N 0.549 120.848 120.500 -0.336 0.000 2.120 19 R HA -0.094 4.245 4.340 -0.001 0.000 0.234 19 R C 2.353 178.457 176.300 -0.328 0.000 1.123 19 R CA 1.378 57.237 56.100 -0.401 0.000 0.975 19 R CB -1.135 28.899 30.300 -0.445 0.000 0.866 19 R HN 0.362 nan 8.270 nan 0.000 0.446 20 S N 0.589 116.051 115.700 -0.397 0.000 2.353 20 S HA -0.139 4.330 4.470 -0.001 0.000 0.222 20 S C 1.622 176.103 174.600 -0.197 0.000 1.035 20 S CA 1.111 59.092 58.200 -0.365 0.000 1.025 20 S CB -0.176 62.715 63.200 -0.515 0.000 0.902 20 S HN 0.499 nan 8.310 nan 0.000 0.440 21 W N 2.581 123.838 121.300 -0.071 0.000 2.519 21 W HA 0.222 4.881 4.660 -0.001 0.000 0.266 21 W C 1.560 178.143 176.519 0.108 0.000 1.253 21 W CA 0.449 57.808 57.345 0.023 0.000 1.274 21 W CB -1.793 27.685 29.460 0.029 0.000 1.114 21 W HN 0.444 nan 8.180 nan 0.000 0.596 22 S N 0.456 116.287 115.700 0.219 0.000 2.614 22 S HA 0.329 4.799 4.470 -0.001 0.000 0.265 22 S C -1.156 173.464 174.600 0.033 0.000 1.303 22 S CA 0.143 58.461 58.200 0.197 0.000 1.000 22 S CB 0.972 64.198 63.200 0.045 0.000 0.935 22 S HN 0.065 nan 8.310 nan 0.000 0.551 23 Y N 0.050 120.342 120.300 -0.013 0.000 2.330 23 Y HA 0.578 5.127 4.550 -0.001 0.000 0.324 23 Y C 0.747 176.572 175.900 -0.126 0.000 1.093 23 Y CA -0.001 58.058 58.100 -0.067 0.000 1.103 23 Y CB 1.472 39.888 38.460 -0.073 0.000 1.183 23 Y HN 1.399 nan 8.280 nan 0.000 0.433 24 G N 2.295 111.111 108.800 0.026 0.000 2.901 24 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.654 24 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.654 24 G C -0.643 174.255 174.900 -0.002 0.000 1.550 24 G CA -0.211 44.870 45.100 -0.031 0.000 0.978 24 G HN 0.778 nan 8.290 nan 0.000 0.566 25 E N -0.491 119.667 120.200 -0.070 0.000 2.218 25 E HA 0.478 4.828 4.350 -0.001 0.000 0.263 25 E C 0.095 176.606 176.600 -0.148 0.000 0.879 25 E CA -0.973 55.316 56.400 -0.185 0.000 0.762 25 E CB 1.495 31.024 29.700 -0.285 0.000 1.166 25 E HN 0.600 nan 8.360 nan 0.000 0.415 26 V N 5.629 125.469 119.914 -0.122 0.000 2.421 26 V HA -0.003 4.116 4.120 -0.001 0.000 0.271 26 V C 1.057 177.114 176.094 -0.063 0.000 1.031 26 V CA 0.533 62.815 62.300 -0.030 0.000 1.032 26 V CB 0.393 32.255 31.823 0.065 0.000 1.009 26 V HN 0.809 nan 8.190 nan 0.000 0.477 27 E N 2.445 122.621 120.200 -0.040 0.000 2.583 27 E HA 0.323 4.672 4.350 -0.001 0.000 0.213 27 E C 0.008 176.596 176.600 -0.020 0.000 0.989 27 E CA -0.543 55.830 56.400 -0.046 0.000 0.991 27 E CB 0.828 30.499 29.700 -0.049 0.000 1.040 27 E HN 0.483 nan 8.360 nan 0.000 0.481 28 K N 1.775 122.176 120.400 0.003 0.000 2.542 28 K HA 0.262 4.581 4.320 -0.001 0.000 0.259 28 K C -2.755 173.863 176.600 0.029 0.000 0.932 28 K CA -2.200 54.094 56.287 0.012 0.000 0.820 28 K CB 2.374 34.882 32.500 0.014 0.000 1.345 28 K HN -0.236 nan 8.250 nan 0.000 0.432 29 P HA 0.068 nan 4.420 nan 0.000 0.232 29 P C -1.002 176.316 177.300 0.031 0.000 1.738 29 P CA 0.109 63.228 63.100 0.032 0.000 0.948 29 P CB 0.285 31.998 31.700 0.021 0.000 1.943 30 E N 0.919 121.148 120.200 0.047 0.000 2.255 30 E HA 0.117 4.467 4.350 -0.001 0.000 0.245 30 E C 1.261 177.907 176.600 0.075 0.000 0.909 30 E CA -0.079 56.346 56.400 0.042 0.000 0.747 30 E CB 1.743 31.465 29.700 0.036 0.000 1.215 30 E HN 0.271 nan 8.360 nan 0.000 0.424 31 T N 0.675 115.268 114.554 0.065 0.000 2.571 31 T HA 0.080 4.429 4.350 -0.001 0.000 0.255 31 T C 1.070 175.821 174.700 0.084 0.000 1.100 31 T CA 0.714 62.882 62.100 0.113 0.000 1.199 31 T CB 0.233 69.144 68.868 0.071 0.000 0.870 31 T HN 0.355 nan 8.240 nan 0.000 0.399 32 I N 1.260 121.820 120.570 -0.017 0.000 2.722 32 I HA 0.295 4.464 4.170 -0.001 0.000 0.292 32 I C -1.204 174.867 176.117 -0.078 0.000 1.267 32 I CA -0.896 60.360 61.300 -0.073 0.000 1.036 32 I CB 2.458 40.351 38.000 -0.179 0.000 1.281 32 I HN 0.365 nan 8.210 nan 0.000 0.423 33 N N 6.691 125.383 118.700 -0.013 0.000 2.437 33 N HA 0.142 4.882 4.740 -0.001 0.000 0.243 33 N C 1.149 176.806 175.510 0.245 0.000 1.041 33 N CA -0.140 52.965 53.050 0.090 0.000 0.940 33 N CB 0.600 39.171 38.487 0.139 0.000 1.133 33 N HN 0.708 nan 8.380 nan 0.000 0.506 34 Y N 3.017 123.238 120.300 -0.131 0.000 2.066 34 Y HA -0.478 4.072 4.550 -0.001 0.000 0.235 34 Y C 1.873 177.723 175.900 -0.084 0.000 1.262 34 Y CA 1.217 59.236 58.100 -0.134 0.000 1.032 34 Y CB -0.952 37.452 38.460 -0.092 0.000 0.832 34 Y HN 0.421 nan 8.280 nan 0.000 0.520 35 R N 0.827 121.206 120.500 -0.202 0.000 2.224 35 R HA -0.202 4.137 4.340 -0.001 0.000 0.251 35 R C 0.787 177.030 176.300 -0.094 0.000 1.123 35 R CA 2.440 58.379 56.100 -0.267 0.000 0.944 35 R CB -1.092 29.062 30.300 -0.242 0.000 0.910 35 R HN 0.656 nan 8.270 nan 0.000 0.440 36 T N -1.449 113.085 114.554 -0.033 0.000 2.809 36 T HA 0.413 4.762 4.350 -0.001 0.000 0.296 36 T C 0.585 175.270 174.700 -0.024 0.000 1.015 36 T CA -0.594 61.493 62.100 -0.022 0.000 0.954 36 T CB 1.455 70.314 68.868 -0.014 0.000 0.950 36 T HN 0.070 nan 8.240 nan 0.000 0.450 37 L N 1.789 122.988 121.223 -0.039 0.000 2.869 37 L HA 0.146 4.486 4.340 -0.001 0.000 0.259 37 L C 1.369 178.173 176.870 -0.111 0.000 1.162 37 L CA 0.266 55.053 54.840 -0.088 0.000 0.975 37 L CB -0.559 41.471 42.059 -0.048 0.000 1.217 37 L HN 0.601 nan 8.230 nan 0.000 0.418 38 K N 0.728 121.084 120.400 -0.074 0.000 2.090 38 K HA 0.316 4.635 4.320 -0.001 0.000 0.250 38 K C -2.245 174.313 176.600 -0.069 0.000 1.004 38 K CA -1.935 54.309 56.287 -0.072 0.000 0.919 38 K CB 1.000 33.484 32.500 -0.027 0.000 1.045 38 K HN -0.215 nan 8.250 nan 0.000 0.471 39 P HA -0.043 nan 4.420 nan 0.000 0.265 39 P C -0.266 177.063 177.300 0.048 0.000 1.193 39 P CA 0.228 63.346 63.100 0.030 0.000 0.765 39 P CB 0.858 32.631 31.700 0.123 0.000 0.823 40 E N 3.969 124.204 120.200 0.059 0.000 2.148 40 E HA -0.166 4.183 4.350 -0.001 0.000 0.259 40 E C 1.142 177.776 176.600 0.057 0.000 0.874 40 E CA 1.560 57.989 56.400 0.049 0.000 1.367 40 E CB 0.030 29.756 29.700 0.044 0.000 0.891 40 E HN 0.428 nan 8.360 nan 0.000 0.598 41 R N -0.720 119.815 120.500 0.059 0.000 2.449 41 R HA 0.411 4.751 4.340 -0.001 0.000 0.130 41 R C 1.712 178.053 176.300 0.067 0.000 1.404 41 R CA 0.248 56.379 56.100 0.052 0.000 1.271 41 R CB -1.118 29.204 30.300 0.035 0.000 1.431 41 R HN 0.157 nan 8.270 nan 0.000 0.477 42 D N 0.129 120.558 120.400 0.050 0.000 2.203 42 D HA -0.033 4.607 4.640 -0.001 0.000 0.199 42 D C 0.667 177.025 176.300 0.097 0.000 0.997 42 D CA 2.025 56.053 54.000 0.048 0.000 0.863 42 D CB -0.666 40.145 40.800 0.019 0.000 0.928 42 D HN 0.608 nan 8.370 nan 0.000 0.458 43 G N -0.154 108.711 108.800 0.108 0.000 4.420 43 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.537 43 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.537 43 G C 0.853 175.903 174.900 0.251 0.000 1.275 43 G CA -0.076 45.114 45.100 0.150 0.000 0.906 43 G HN 0.373 nan 8.290 nan 0.000 0.579 44 L N -0.506 120.844 121.223 0.211 0.000 2.549 44 L HA 0.013 4.352 4.340 -0.001 0.000 0.230 44 L C 1.939 178.836 176.870 0.045 0.000 1.162 44 L CA 0.738 55.684 54.840 0.176 0.000 0.834 44 L CB -0.232 41.863 42.059 0.060 0.000 0.947 44 L HN 0.482 nan 8.230 nan 0.000 0.452 45 F N -1.152 118.887 119.950 0.148 0.000 2.767 45 F HA 0.182 4.708 4.527 -0.001 0.000 0.323 45 F C 0.963 176.923 175.800 0.268 0.000 1.091 45 F CA -1.164 56.890 58.000 0.090 0.000 1.192 45 F CB 0.240 39.250 39.000 0.017 0.000 1.056 45 F HN -0.094 nan 8.300 nan 0.000 0.571 46 D N 1.048 121.742 120.400 0.491 0.000 2.667 46 D HA -0.133 4.506 4.640 -0.001 0.000 0.226 46 D C 1.126 177.636 176.300 0.351 0.000 1.137 46 D CA 0.798 54.991 54.000 0.321 0.000 0.855 46 D CB 0.872 41.783 40.800 0.185 0.000 1.194 46 D HN 0.196 nan 8.370 nan 0.000 0.492 47 E N 1.724 122.055 120.200 0.218 0.000 2.285 47 E HA -0.084 4.266 4.350 -0.001 0.000 0.194 47 E C 1.719 178.379 176.600 0.100 0.000 0.997 47 E CA 0.344 56.851 56.400 0.177 0.000 0.845 47 E CB 0.084 29.852 29.700 0.112 0.000 0.782 47 E HN 0.388 nan 8.360 nan 0.000 0.491 48 R N 0.984 121.516 120.500 0.053 0.000 2.064 48 R HA -0.073 4.266 4.340 -0.001 0.000 0.228 48 R C 2.043 178.314 176.300 -0.049 0.000 1.144 48 R CA 1.411 57.515 56.100 0.007 0.000 0.932 48 R CB -0.439 29.859 30.300 -0.004 0.000 0.833 48 R HN 0.178 nan 8.270 nan 0.000 0.429 49 I N 0.052 120.509 120.570 -0.188 0.000 2.423 49 I HA -0.247 3.922 4.170 -0.001 0.000 0.254 49 I C 1.307 177.023 176.117 -0.670 0.000 1.151 49 I CA 1.503 62.506 61.300 -0.495 0.000 1.421 49 I CB -0.087 37.400 38.000 -0.855 0.000 1.079 49 I HN 0.246 nan 8.210 nan 0.000 0.431 50 F N -0.715 119.249 119.950 0.024 0.000 2.495 50 F HA 0.445 4.971 4.527 -0.001 0.000 0.272 50 F C 1.102 176.862 175.800 -0.067 0.000 0.919 50 F CA 0.336 58.318 58.000 -0.030 0.000 1.178 50 F CB 0.445 39.441 39.000 -0.007 0.000 1.030 50 F HN -0.024 nan 8.300 nan 0.000 0.777 51 G N -0.436 108.456 108.800 0.154 0.000 2.352 51 G HA2 0.232 4.192 3.960 -0.001 0.000 0.302 51 G HA3 0.232 4.192 3.960 -0.001 0.000 0.302 51 G C -3.270 171.672 174.900 0.069 0.000 1.370 51 G CA -1.156 43.976 45.100 0.053 0.000 0.918 51 G HN -0.306 nan 8.290 nan 0.000 0.610 52 P HA 0.234 nan 4.420 nan 0.000 0.264 52 P C 1.213 178.533 177.300 0.032 0.000 1.229 52 P CA -0.288 62.824 63.100 0.019 0.000 0.780 52 P CB 0.730 32.417 31.700 -0.021 0.000 0.808 53 I N 2.378 122.980 120.570 0.053 0.000 2.399 53 I HA -0.227 3.943 4.170 -0.001 0.000 0.254 53 I C 0.987 177.115 176.117 0.019 0.000 1.146 53 I CA 1.754 63.079 61.300 0.043 0.000 1.412 53 I CB 0.104 38.106 38.000 0.004 0.000 1.076 53 I HN 0.149 nan 8.210 nan 0.000 0.432 54 K N 0.469 120.880 120.400 0.019 0.000 2.303 54 K HA 0.216 4.536 4.320 -0.001 0.000 0.233 54 K C 0.567 177.174 176.600 0.011 0.000 1.046 54 K CA -0.483 55.815 56.287 0.020 0.000 0.895 54 K CB 0.615 33.135 32.500 0.033 0.000 1.220 54 K HN -0.073 nan 8.250 nan 0.000 0.470 55 D N 0.265 120.681 120.400 0.026 0.000 2.095 55 D HA -0.223 4.416 4.640 -0.001 0.000 0.264 55 D C 1.231 177.537 176.300 0.011 0.000 1.305 55 D CA 1.968 55.984 54.000 0.027 0.000 1.096 55 D CB -0.376 40.476 40.800 0.087 0.000 1.843 55 D HN 0.575 nan 8.370 nan 0.000 0.618 56 Y N 0.316 120.641 120.300 0.042 0.000 2.481 56 Y HA 0.048 4.597 4.550 -0.001 0.000 0.258 56 Y C 1.108 177.060 175.900 0.086 0.000 1.103 56 Y CA -0.228 57.910 58.100 0.064 0.000 1.287 56 Y CB 0.734 39.240 38.460 0.076 0.000 1.108 56 Y HN 0.011 nan 8.280 nan 0.000 0.529 57 E N 0.928 121.271 120.200 0.240 0.000 2.408 57 E HA 0.032 4.382 4.350 -0.001 0.000 0.259 57 E C 0.085 176.758 176.600 0.122 0.000 1.110 57 E CA 0.073 56.578 56.400 0.175 0.000 0.929 57 E CB 1.005 30.778 29.700 0.122 0.000 0.971 57 E HN 0.363 nan 8.360 nan 0.000 0.438 58 C N 1.967 121.331 119.300 0.106 0.000 2.555 58 C HA 0.775 5.235 4.460 -0.001 0.000 0.364 58 C C 1.851 176.872 174.990 0.052 0.000 2.249 58 C CA 0.287 59.346 59.018 0.069 0.000 1.843 58 C CB 0.057 27.832 27.740 0.058 0.000 1.954 58 C HN 0.862 nan 8.230 nan 0.000 0.458 59 A N -0.022 122.822 122.820 0.040 0.000 1.832 59 A HA -0.047 4.272 4.320 -0.001 0.000 0.214 59 A C 2.231 179.833 177.584 0.030 0.000 1.204 59 A CA 2.343 54.400 52.037 0.033 0.000 0.606 59 A CB -1.548 17.470 19.000 0.030 0.000 0.849 59 A HN 1.503 nan 8.150 nan 0.000 0.445 60 C N -2.847 116.471 119.300 0.031 0.000 2.485 60 C HA 0.521 4.980 4.460 -0.001 0.000 0.278 60 C C 1.919 176.927 174.990 0.030 0.000 1.356 60 C CA 0.451 59.485 59.018 0.026 0.000 1.747 60 C CB -0.505 27.249 27.740 0.024 0.000 2.001 60 C HN 1.766 nan 8.230 nan 0.000 0.501 61 G N 0.625 109.451 108.800 0.043 0.000 2.143 61 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.175 61 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.175 61 G C 0.730 175.650 174.900 0.033 0.000 1.004 61 G CA 0.293 45.419 45.100 0.044 0.000 0.671 61 G HN 0.512 nan 8.290 nan 0.000 0.512 62 K N -1.048 119.386 120.400 0.057 0.000 2.026 62 K HA -0.018 4.302 4.320 -0.001 0.000 0.208 62 K C 0.255 176.808 176.600 -0.078 0.000 1.048 62 K CA 1.168 57.479 56.287 0.040 0.000 0.929 62 K CB 0.009 32.611 32.500 0.171 0.000 0.713 62 K HN 0.445 nan 8.250 nan 0.000 0.439 63 Y N 0.114 120.283 120.300 -0.218 0.000 2.341 63 Y HA 0.193 4.743 4.550 -0.001 0.000 0.338 63 Y C 0.687 176.531 175.900 -0.092 0.000 0.965 63 Y CA -0.578 57.274 58.100 -0.414 0.000 1.108 63 Y CB 1.844 39.932 38.460 -0.620 0.000 1.180 63 Y HN -0.181 nan 8.280 nan 0.000 0.458 64 K N 0.919 121.447 120.400 0.213 0.000 2.450 64 K HA 0.220 4.540 4.320 -0.001 0.000 0.206 64 K C 0.656 177.446 176.600 0.317 0.000 1.148 64 K CA -0.025 56.412 56.287 0.250 0.000 1.014 64 K CB 0.835 33.425 32.500 0.150 0.000 0.966 64 K HN 0.362 nan 8.250 nan 0.000 0.566 65 R N -0.147 120.640 120.500 0.478 0.000 3.234 65 R HA 0.259 4.598 4.340 -0.001 0.000 0.223 65 R C 0.730 176.858 176.300 -0.287 0.000 1.644 65 R CA -0.214 55.907 56.100 0.035 0.000 1.009 65 R CB 0.133 30.373 30.300 -0.100 0.000 1.959 65 R HN -0.177 nan 8.270 nan 0.000 0.534 66 Q N 0.224 119.592 119.800 -0.720 0.000 2.339 66 Q HA -0.007 4.333 4.340 -0.001 0.000 0.205 66 Q C 1.574 177.300 176.000 -0.458 0.000 0.925 66 Q CA 0.831 56.092 55.803 -0.903 0.000 0.898 66 Q CB 0.171 28.417 28.738 -0.820 0.000 1.013 66 Q HN 0.430 nan 8.270 nan 0.000 0.504 67 R N 0.310 120.426 120.500 -0.640 0.000 2.119 67 R HA -0.173 4.166 4.340 -0.001 0.000 0.246 67 R C 0.695 176.750 176.300 -0.408 0.000 1.146 67 R CA 2.095 57.818 56.100 -0.628 0.000 0.962 67 R CB -0.324 29.414 30.300 -0.937 0.000 0.863 67 R HN 0.242 nan 8.270 nan 0.000 0.442 68 F N 0.963 120.954 119.950 0.067 0.000 2.963 68 F HA 0.337 4.863 4.527 -0.001 0.000 0.321 68 F C 1.035 176.917 175.800 0.138 0.000 1.234 68 F CA -1.120 56.962 58.000 0.135 0.000 1.296 68 F CB -0.581 38.593 39.000 0.290 0.000 0.981 68 F HN 0.099 nan 8.300 nan 0.000 0.507 69 E N 0.830 121.213 120.200 0.306 0.000 2.118 69 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 69 E C 1.599 178.354 176.600 0.260 0.000 0.992 69 E CA 1.669 58.311 56.400 0.403 0.000 0.804 69 E CB -0.478 29.449 29.700 0.379 0.000 0.741 69 E HN 0.561 nan 8.360 nan 0.000 0.458 70 G N 0.922 109.828 108.800 0.176 0.000 3.233 70 G HA2 0.052 4.012 3.960 -0.001 0.000 0.234 70 G HA3 0.052 4.012 3.960 -0.001 0.000 0.234 70 G C 0.318 175.256 174.900 0.064 0.000 1.137 70 G CA -0.458 44.706 45.100 0.107 0.000 0.763 70 G HN 0.088 nan 8.290 nan 0.000 0.549 71 K N 0.125 120.556 120.400 0.051 0.000 2.118 71 K HA 0.585 4.905 4.320 -0.001 0.000 0.254 71 K C -0.775 175.731 176.600 -0.156 0.000 0.961 71 K CA -0.623 55.632 56.287 -0.052 0.000 0.876 71 K CB 2.306 34.762 32.500 -0.075 0.000 1.077 71 K HN -0.089 nan 8.250 nan 0.000 0.440 72 V N 3.461 123.269 119.914 -0.178 0.000 2.617 72 V HA 0.238 4.357 4.120 -0.001 0.000 0.298 72 V C -0.445 175.458 176.094 -0.318 0.000 1.048 72 V CA -0.795 61.391 62.300 -0.190 0.000 0.964 72 V CB 1.336 33.102 31.823 -0.094 0.000 1.004 72 V HN 1.001 nan 8.190 nan 0.000 0.466 73 C N 5.586 124.712 119.300 -0.290 0.000 2.648 73 C HA 0.239 4.698 4.460 -0.001 0.000 0.419 73 C C 1.753 176.669 174.990 -0.123 0.000 1.352 73 C CA -0.035 58.825 59.018 -0.264 0.000 1.816 73 C CB -0.129 27.541 27.740 -0.117 0.000 2.598 73 C HN 1.121 nan 8.230 nan 0.000 0.598 74 E N 2.230 122.388 120.200 -0.070 0.000 2.070 74 E HA -0.208 4.142 4.350 -0.001 0.000 0.197 74 E C 2.246 178.842 176.600 -0.007 0.000 1.004 74 E CA 2.088 58.478 56.400 -0.017 0.000 0.805 74 E CB -0.062 29.660 29.700 0.036 0.000 0.744 74 E HN 0.844 nan 8.360 nan 0.000 0.451 75 R N -0.734 119.769 120.500 0.005 0.000 2.128 75 R HA 0.220 4.559 4.340 -0.001 0.000 0.211 75 R C 0.678 176.978 176.300 0.001 0.000 1.067 75 R CA 0.825 56.928 56.100 0.006 0.000 1.010 75 R CB -0.336 29.973 30.300 0.014 0.000 0.922 75 R HN 0.281 nan 8.270 nan 0.000 0.457 76 C N 0.579 119.878 119.300 -0.002 0.000 2.455 76 C HA 0.804 5.264 4.460 -0.001 0.000 0.320 76 C C 0.571 175.552 174.990 -0.016 0.000 1.226 76 C CA -0.877 58.140 59.018 -0.002 0.000 1.569 76 C CB 1.266 29.012 27.740 0.009 0.000 2.200 76 C HN 0.399 nan 8.230 nan 0.000 0.491 77 G N 3.003 111.797 108.800 -0.011 0.000 2.444 77 G HA2 0.534 4.494 3.960 -0.001 0.000 0.303 77 G HA3 0.534 4.494 3.960 -0.001 0.000 0.303 77 G C -0.622 174.273 174.900 -0.009 0.000 1.032 77 G CA -0.170 44.919 45.100 -0.018 0.000 1.137 77 G HN 1.353 nan 8.290 nan 0.000 0.430 78 V N 3.085 122.984 119.914 -0.025 0.000 2.568 78 V HA 0.239 4.359 4.120 -0.001 0.000 0.276 78 V C -0.121 175.959 176.094 -0.023 0.000 1.002 78 V CA -1.075 61.219 62.300 -0.010 0.000 0.879 78 V CB 1.369 33.194 31.823 0.005 0.000 1.040 78 V HN 0.834 nan 8.190 nan 0.000 0.457 79 E N 3.521 123.715 120.200 -0.010 0.000 2.301 79 E HA 0.639 4.988 4.350 -0.001 0.000 0.275 79 E C -1.495 175.099 176.600 -0.010 0.000 1.030 79 E CA -0.311 56.086 56.400 -0.004 0.000 0.852 79 E CB 1.997 31.705 29.700 0.012 0.000 1.060 79 E HN 0.477 nan 8.360 nan 0.000 0.401 80 V N 3.802 123.715 119.914 -0.001 0.000 2.623 80 V HA 0.285 4.404 4.120 -0.001 0.000 0.304 80 V C 0.003 175.913 176.094 -0.307 0.000 1.054 80 V CA -0.738 61.504 62.300 -0.097 0.000 0.882 80 V CB 1.828 33.640 31.823 -0.019 0.000 1.002 80 V HN 0.796 nan 8.190 nan 0.000 0.424 81 T N 2.468 116.799 114.554 -0.372 0.000 2.819 81 T HA 0.445 4.794 4.350 -0.001 0.000 0.271 81 T C 0.207 174.585 174.700 -0.536 0.000 0.986 81 T CA -0.645 61.131 62.100 -0.540 0.000 0.989 81 T CB 1.466 70.166 68.868 -0.279 0.000 1.396 81 T HN 0.611 nan 8.240 nan 0.000 0.597 82 K N 0.593 120.756 120.400 -0.395 0.000 2.244 82 K HA 0.088 4.408 4.320 -0.001 0.000 0.242 82 K C 1.604 178.086 176.600 -0.197 0.000 1.082 82 K CA 0.442 56.574 56.287 -0.258 0.000 0.841 82 K CB 0.071 32.477 32.500 -0.156 0.000 1.129 82 K HN 0.606 nan 8.250 nan 0.000 0.516 83 S N 0.196 115.823 115.700 -0.122 0.000 2.537 83 S HA -0.125 4.344 4.470 -0.001 0.000 0.240 83 S C 1.809 176.327 174.600 -0.138 0.000 0.981 83 S CA 1.062 59.209 58.200 -0.089 0.000 0.948 83 S CB -0.977 62.204 63.200 -0.033 0.000 0.759 83 S HN 0.582 nan 8.310 nan 0.000 0.531 84 I N 1.114 121.552 120.570 -0.220 0.000 2.179 84 I HA -0.150 4.020 4.170 -0.001 0.000 0.242 84 I C 2.333 178.130 176.117 -0.533 0.000 1.088 84 I CA 1.316 62.379 61.300 -0.396 0.000 1.357 84 I CB -1.436 36.272 38.000 -0.487 0.000 1.051 84 I HN 0.270 nan 8.210 nan 0.000 0.409 85 V N -0.109 119.566 119.914 -0.398 0.000 2.568 85 V HA -0.243 3.876 4.120 -0.001 0.000 0.253 85 V C 2.744 178.729 176.094 -0.181 0.000 1.072 85 V CA 2.116 64.236 62.300 -0.300 0.000 1.084 85 V CB -1.410 30.292 31.823 -0.201 0.000 0.676 85 V HN 0.489 nan 8.190 nan 0.000 0.469 86 R N 1.309 121.729 120.500 -0.134 0.000 2.148 86 R HA -0.111 4.228 4.340 -0.001 0.000 0.223 86 R C 2.530 178.832 176.300 0.003 0.000 1.088 86 R CA 1.648 57.733 56.100 -0.026 0.000 0.985 86 R CB -0.117 30.192 30.300 0.015 0.000 0.880 86 R HN 0.693 nan 8.270 nan 0.000 0.451 87 R N -1.319 119.164 120.500 -0.028 0.000 2.280 87 R HA 0.022 4.361 4.340 -0.001 0.000 0.195 87 R C 0.926 177.350 176.300 0.206 0.000 0.935 87 R CA 0.605 56.740 56.100 0.058 0.000 1.033 87 R CB 0.002 30.341 30.300 0.066 0.000 0.964 87 R HN 0.326 nan 8.270 nan 0.000 0.489 88 Y N -0.031 120.241 120.300 -0.046 0.000 2.479 88 Y HA 0.250 4.799 4.550 -0.001 0.000 0.283 88 Y C 0.588 176.450 175.900 -0.064 0.000 1.109 88 Y CA -0.947 57.121 58.100 -0.052 0.000 1.239 88 Y CB 0.396 38.827 38.460 -0.049 0.000 1.108 88 Y HN -0.089 nan 8.280 nan 0.000 0.548 89 R N 1.150 121.679 120.500 0.049 0.000 2.679 89 R HA 0.134 4.473 4.340 -0.001 0.000 0.268 89 R C -0.629 175.700 176.300 0.048 0.000 1.044 89 R CA 0.739 56.762 56.100 -0.128 0.000 1.105 89 R CB 0.231 30.275 30.300 -0.426 0.000 0.989 89 R HN 0.117 nan 8.270 nan 0.000 0.447 90 M N 0.482 120.144 119.600 0.104 0.000 2.528 90 M HA 0.494 4.973 4.480 -0.001 0.000 0.321 90 M C 0.340 176.813 176.300 0.287 0.000 1.153 90 M CA -0.581 54.865 55.300 0.244 0.000 0.951 90 M CB 2.544 35.274 32.600 0.218 0.000 1.705 90 M HN 0.734 nan 8.290 nan 0.000 0.451 91 G N -0.012 108.961 108.800 0.289 0.000 2.667 91 G HA2 0.711 4.670 3.960 -0.001 0.000 0.310 91 G HA3 0.711 4.670 3.960 -0.001 0.000 0.310 91 G C -1.628 173.394 174.900 0.203 0.000 1.259 91 G CA -0.256 44.902 45.100 0.097 0.000 1.019 91 G HN 0.809 nan 8.290 nan 0.000 0.496 92 H N -1.580 117.485 119.070 -0.008 0.000 2.961 92 H HA 0.586 5.141 4.556 -0.001 0.000 0.371 92 H C -1.815 173.487 175.328 -0.044 0.000 1.190 92 H CA -1.097 54.950 56.048 -0.002 0.000 1.138 92 H CB 1.626 31.388 29.762 0.001 0.000 1.816 92 H HN 0.353 nan 8.280 nan 0.000 0.551 93 I N 2.115 122.426 120.570 -0.431 0.000 2.389 93 I HA 0.109 4.278 4.170 -0.001 0.000 0.288 93 I C -0.294 175.579 176.117 -0.406 0.000 0.999 93 I CA -0.739 60.268 61.300 -0.488 0.000 1.129 93 I CB 1.879 39.720 38.000 -0.265 0.000 1.288 93 I HN 0.464 nan 8.210 nan 0.000 0.444 94 E N 6.597 126.535 120.200 -0.436 0.000 1.996 94 E HA 0.262 4.611 4.350 -0.001 0.000 0.280 94 E C -0.675 175.870 176.600 -0.093 0.000 1.092 94 E CA -0.209 56.112 56.400 -0.132 0.000 0.862 94 E CB 0.581 30.277 29.700 -0.007 0.000 1.066 94 E HN 0.456 nan 8.360 nan 0.000 0.396 95 L N 3.249 124.433 121.223 -0.065 0.000 2.461 95 L HA 0.163 4.502 4.340 -0.001 0.000 0.272 95 L C 1.043 177.884 176.870 -0.047 0.000 1.197 95 L CA 0.061 54.865 54.840 -0.060 0.000 0.836 95 L CB 0.810 42.837 42.059 -0.053 0.000 1.105 95 L HN 0.739 nan 8.230 nan 0.000 0.477 96 A N 3.698 126.488 122.820 -0.050 0.000 1.823 96 A HA -0.063 4.256 4.320 -0.001 0.000 0.214 96 A C 0.948 178.507 177.584 -0.041 0.000 1.227 96 A CA 1.257 53.269 52.037 -0.042 0.000 0.616 96 A CB -0.528 18.447 19.000 -0.041 0.000 0.874 96 A HN 0.697 nan 8.150 nan 0.000 0.455 97 T N 1.920 116.443 114.554 -0.051 0.000 2.767 97 T HA 0.499 4.848 4.350 -0.001 0.000 0.284 97 T C -2.641 172.015 174.700 -0.075 0.000 0.973 97 T CA -1.261 60.805 62.100 -0.056 0.000 0.996 97 T CB 1.144 69.977 68.868 -0.059 0.000 0.927 97 T HN 0.124 nan 8.240 nan 0.000 0.456 98 P HA 0.174 nan 4.420 nan 0.000 0.268 98 P C -0.876 176.335 177.300 -0.147 0.000 1.189 98 P CA 0.031 63.083 63.100 -0.079 0.000 0.771 98 P CB 0.480 32.150 31.700 -0.051 0.000 0.822 99 A N 0.800 123.520 122.820 -0.168 0.000 2.507 99 A HA 0.898 5.218 4.320 -0.001 0.000 0.284 99 A C -1.273 176.172 177.584 -0.231 0.000 1.281 99 A CA -0.054 51.814 52.037 -0.283 0.000 0.744 99 A CB 1.346 20.204 19.000 -0.237 0.000 1.332 99 A HN 0.582 nan 8.150 nan 0.000 0.454 100 A N -1.109 121.568 122.820 -0.239 0.000 2.594 100 A HA 0.652 4.971 4.320 -0.001 0.000 0.291 100 A C -0.859 176.834 177.584 0.181 0.000 1.105 100 A CA -0.514 51.533 52.037 0.016 0.000 0.694 100 A CB 0.465 19.542 19.000 0.129 0.000 1.291 100 A HN 0.877 nan 8.150 nan 0.000 0.410 101 H N 0.979 120.154 119.070 0.175 0.000 3.046 101 H HA 0.037 4.592 4.556 -0.001 0.000 0.303 101 H C 0.841 176.412 175.328 0.405 0.000 1.002 101 H CA 0.724 56.936 56.048 0.273 0.000 1.460 101 H CB 0.766 30.703 29.762 0.292 0.000 1.493 101 H HN 0.587 nan 8.280 nan 0.000 0.559 102 I N 5.155 125.903 120.570 0.296 0.000 2.830 102 I HA -0.172 3.998 4.170 -0.001 0.000 0.263 102 I C 1.461 177.830 176.117 0.420 0.000 1.230 102 I CA 0.611 62.126 61.300 0.359 0.000 1.480 102 I CB -0.144 38.025 38.000 0.281 0.000 1.095 102 I HN 0.621 nan 8.210 nan 0.000 0.455 103 W N -0.163 121.287 121.300 0.250 0.000 2.374 103 W HA -0.168 4.491 4.660 -0.001 0.000 0.288 103 W C 1.952 178.656 176.519 0.308 0.000 1.218 103 W CA 1.592 59.126 57.345 0.316 0.000 1.245 103 W CB -0.446 29.335 29.460 0.535 0.000 1.126 103 W HN 0.112 nan 8.180 nan 0.000 0.545 104 F N -2.405 117.836 119.950 0.486 0.000 2.731 104 F HA 0.026 4.552 4.527 -0.001 0.000 0.298 104 F C 1.698 177.643 175.800 0.243 0.000 1.106 104 F CA 0.199 58.402 58.000 0.338 0.000 1.329 104 F CB -0.010 39.202 39.000 0.354 0.000 1.100 104 F HN -0.376 nan 8.300 nan 0.000 0.592 105 V N -1.264 118.904 119.914 0.424 0.000 2.795 105 V HA 0.015 4.135 4.120 -0.001 0.000 0.243 105 V C 1.852 178.054 176.094 0.180 0.000 1.069 105 V CA 0.998 63.469 62.300 0.286 0.000 1.089 105 V CB -0.052 32.006 31.823 0.392 0.000 0.756 105 V HN -0.008 nan 8.190 nan 0.000 0.471 106 K N 0.311 120.813 120.400 0.170 0.000 2.373 106 K HA 0.197 4.516 4.320 -0.001 0.000 0.202 106 K C 0.359 176.966 176.600 0.013 0.000 1.025 106 K CA -0.090 56.248 56.287 0.086 0.000 1.115 106 K CB -0.082 32.473 32.500 0.092 0.000 0.858 106 K HN 0.453 nan 8.250 nan 0.000 0.525 107 D N 0.756 121.153 120.400 -0.005 0.000 2.423 107 D HA -0.058 4.581 4.640 -0.001 0.000 0.238 107 D C 1.598 177.870 176.300 -0.047 0.000 1.142 107 D CA 0.016 53.974 54.000 -0.071 0.000 0.884 107 D CB 1.526 42.269 40.800 -0.094 0.000 1.199 107 D HN -0.176 nan 8.370 nan 0.000 0.438 108 V N 2.198 122.063 119.914 -0.083 0.000 2.223 108 V HA -0.204 3.916 4.120 -0.001 0.000 0.253 108 V C -1.387 174.685 176.094 -0.037 0.000 1.061 108 V CA 1.198 63.452 62.300 -0.076 0.000 1.035 108 V CB -2.203 29.540 31.823 -0.135 0.000 0.653 108 V HN 0.622 nan 8.190 nan 0.000 0.454 109 P HA 0.327 nan 4.420 nan 0.000 0.284 109 P C -0.393 176.922 177.300 0.026 0.000 1.343 109 P CA 0.105 63.210 63.100 0.008 0.000 0.826 109 P CB 0.704 32.417 31.700 0.023 0.000 0.956 110 S N 3.724 119.443 115.700 0.032 0.000 2.780 110 S HA -0.049 4.421 4.470 -0.001 0.000 0.339 110 S C 1.501 176.160 174.600 0.098 0.000 1.183 110 S CA 0.193 58.428 58.200 0.059 0.000 1.358 110 S CB -0.095 63.127 63.200 0.037 0.000 1.167 110 S HN 0.250 nan 8.310 nan 0.000 0.556 111 K N 2.502 122.982 120.400 0.134 0.000 2.218 111 K HA -0.119 4.201 4.320 -0.001 0.000 0.205 111 K C 1.539 178.315 176.600 0.294 0.000 1.046 111 K CA 0.962 57.380 56.287 0.219 0.000 0.933 111 K CB -0.218 32.433 32.500 0.252 0.000 0.728 111 K HN 0.667 nan 8.250 nan 0.000 0.454 112 I N -1.363 119.347 120.570 0.234 0.000 2.867 112 I HA 0.081 4.250 4.170 -0.001 0.000 0.265 112 I C 1.679 177.831 176.117 0.059 0.000 1.162 112 I CA 0.994 62.383 61.300 0.149 0.000 1.471 112 I CB -0.071 38.000 38.000 0.119 0.000 1.123 112 I HN 0.070 nan 8.210 nan 0.000 0.440 113 G N -0.531 108.294 108.800 0.042 0.000 2.464 113 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 113 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 113 G C 1.402 176.320 174.900 0.029 0.000 1.138 113 G CA 1.108 46.214 45.100 0.010 0.000 0.793 113 G HN 0.406 nan 8.290 nan 0.000 0.539 114 T N 0.974 115.564 114.554 0.060 0.000 2.814 114 T HA -0.000 4.349 4.350 -0.001 0.000 0.254 114 T C 2.243 176.990 174.700 0.077 0.000 1.037 114 T CA 0.849 62.988 62.100 0.065 0.000 1.143 114 T CB -0.217 68.698 68.868 0.078 0.000 0.866 114 T HN 0.121 nan 8.240 nan 0.000 0.431 115 L N 0.555 121.849 121.223 0.118 0.000 1.976 115 L HA 0.184 4.523 4.340 -0.001 0.000 0.209 115 L C 0.856 177.746 176.870 0.032 0.000 1.071 115 L CA 1.462 56.368 54.840 0.109 0.000 0.746 115 L CB -0.295 41.851 42.059 0.146 0.000 0.890 115 L HN 0.212 nan 8.230 nan 0.000 0.432 116 L N 1.166 122.396 121.223 0.012 0.000 2.283 116 L HA 0.113 4.453 4.340 -0.001 0.000 0.287 116 L C -0.567 176.300 176.870 -0.006 0.000 1.073 116 L CA -0.356 54.475 54.840 -0.015 0.000 0.822 116 L CB 0.396 42.436 42.059 -0.031 0.000 1.186 116 L HN 0.160 nan 8.230 nan 0.000 0.436 117 D N 5.339 125.735 120.400 -0.006 0.000 2.385 117 D HA 0.277 4.916 4.640 -0.001 0.000 0.260 117 D C -0.683 175.611 176.300 -0.011 0.000 1.326 117 D CA 0.451 54.448 54.000 -0.004 0.000 1.023 117 D CB 0.066 40.864 40.800 -0.004 0.000 1.083 117 D HN 0.266 nan 8.370 nan 0.000 0.517 118 L N 0.783 121.999 121.223 -0.012 0.000 2.303 118 L HA 0.439 4.779 4.340 -0.001 0.000 0.256 118 L C 0.472 177.333 176.870 -0.015 0.000 1.034 118 L CA -1.289 53.541 54.840 -0.018 0.000 0.832 118 L CB 1.608 43.648 42.059 -0.031 0.000 1.403 118 L HN -0.138 nan 8.230 nan 0.000 0.419 119 S N 1.161 116.852 115.700 -0.014 0.000 2.519 119 S HA 0.058 4.527 4.470 -0.001 0.000 0.310 119 S C 1.328 175.921 174.600 -0.013 0.000 1.201 119 S CA 0.246 58.440 58.200 -0.011 0.000 1.179 119 S CB 0.696 63.891 63.200 -0.009 0.000 1.104 119 S HN 0.738 nan 8.310 nan 0.000 0.527 120 A N 4.167 126.982 122.820 -0.008 0.000 1.984 120 A HA -0.306 4.013 4.320 -0.001 0.000 0.224 120 A C 2.254 179.833 177.584 -0.008 0.000 1.256 120 A CA 2.800 54.835 52.037 -0.004 0.000 0.679 120 A CB -1.064 17.938 19.000 0.003 0.000 0.829 120 A HN 0.839 nan 8.150 nan 0.000 0.483 121 T N -5.511 109.039 114.554 -0.007 0.000 2.980 121 T HA 0.254 4.603 4.350 -0.001 0.000 0.252 121 T C 1.539 176.241 174.700 0.003 0.000 0.962 121 T CA 0.796 62.894 62.100 -0.002 0.000 0.932 121 T CB 0.144 69.011 68.868 -0.001 0.000 1.188 121 T HN 0.517 nan 8.240 nan 0.000 0.500 122 E N 0.379 120.580 120.200 0.002 0.000 2.099 122 E HA 0.157 4.506 4.350 -0.001 0.000 0.191 122 E C 1.835 178.446 176.600 0.019 0.000 0.962 122 E CA 0.109 56.516 56.400 0.012 0.000 0.826 122 E CB -0.002 29.700 29.700 0.004 0.000 0.788 122 E HN 0.179 nan 8.360 nan 0.000 0.461 123 L N 1.896 123.122 121.223 0.004 0.000 2.079 123 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 123 L C 2.132 179.010 176.870 0.014 0.000 1.081 123 L CA 1.744 56.589 54.840 0.009 0.000 0.752 123 L CB -0.557 41.498 42.059 -0.007 0.000 0.896 123 L HN 0.213 nan 8.230 nan 0.000 0.433 124 E N -1.152 119.029 120.200 -0.031 0.000 2.007 124 E HA -0.305 4.044 4.350 -0.001 0.000 0.194 124 E C 2.142 178.750 176.600 0.013 0.000 0.999 124 E CA 1.374 57.702 56.400 -0.119 0.000 0.811 124 E CB -0.142 29.443 29.700 -0.192 0.000 0.762 124 E HN 0.350 nan 8.360 nan 0.000 0.450 125 Q N 0.334 120.187 119.800 0.088 0.000 2.297 125 Q HA -0.141 4.198 4.340 -0.001 0.000 0.208 125 Q C 1.793 177.947 176.000 0.256 0.000 0.981 125 Q CA 1.178 57.109 55.803 0.214 0.000 0.876 125 Q CB -0.182 28.632 28.738 0.126 0.000 0.921 125 Q HN 0.178 nan 8.270 nan 0.000 0.446 126 V N 0.163 120.200 119.914 0.205 0.000 2.223 126 V HA -0.262 3.858 4.120 -0.001 0.000 0.244 126 V C 2.061 178.412 176.094 0.429 0.000 1.045 126 V CA 1.997 64.475 62.300 0.297 0.000 1.000 126 V CB -0.808 31.115 31.823 0.167 0.000 0.635 126 V HN 0.539 nan 8.190 nan 0.000 0.445 127 L N -1.907 119.501 121.223 0.308 0.000 2.131 127 L HA 0.015 4.355 4.340 -0.001 0.000 0.206 127 L C 2.271 179.284 176.870 0.238 0.000 1.087 127 L CA 1.400 56.385 54.840 0.241 0.000 0.767 127 L CB -1.831 40.332 42.059 0.173 0.000 0.917 127 L HN 0.237 nan 8.230 nan 0.000 0.441 128 Y N -0.202 120.157 120.300 0.099 0.000 2.014 128 Y HA -0.346 4.204 4.550 -0.001 0.000 0.272 128 Y C 2.436 178.325 175.900 -0.020 0.000 1.164 128 Y CA 1.948 60.077 58.100 0.048 0.000 1.114 128 Y CB -0.255 38.293 38.460 0.148 0.000 0.961 128 Y HN 0.119 nan 8.280 nan 0.000 0.489 129 F N -1.420 118.632 119.950 0.168 0.000 2.473 129 F HA -0.007 4.520 4.527 -0.001 0.000 0.294 129 F C 1.714 177.499 175.800 -0.026 0.000 1.103 129 F CA 0.652 58.682 58.000 0.049 0.000 1.442 129 F CB -0.110 38.936 39.000 0.076 0.000 1.097 129 F HN -0.156 nan 8.300 nan 0.000 0.547 130 S N -0.559 115.200 115.700 0.099 0.000 2.677 130 S HA 0.291 4.760 4.470 -0.001 0.000 0.290 130 S C 0.287 174.640 174.600 -0.412 0.000 1.124 130 S CA -0.645 57.437 58.200 -0.196 0.000 1.017 130 S CB 0.883 63.883 63.200 -0.333 0.000 1.215 130 S HN 0.016 nan 8.310 nan 0.000 0.524 131 K N 1.224 121.169 120.400 -0.757 0.000 2.997 131 K HA 0.274 4.594 4.320 -0.001 0.000 0.249 131 K C -1.101 175.148 176.600 -0.585 0.000 1.284 131 K CA -0.071 55.906 56.287 -0.517 0.000 1.245 131 K CB -0.211 32.128 32.500 -0.269 0.000 1.670 131 K HN 0.494 nan 8.250 nan 0.000 0.385 132 Y N -0.640 119.659 120.300 -0.003 0.000 3.051 132 Y HA 0.471 5.020 4.550 -0.001 0.000 0.243 132 Y C 0.428 176.224 175.900 -0.174 0.000 2.263 132 Y CA -1.323 56.728 58.100 -0.080 0.000 0.905 132 Y CB 0.664 39.109 38.460 -0.024 0.000 1.570 132 Y HN -0.142 nan 8.280 nan 0.000 0.494 133 I N 0.109 120.749 120.570 0.117 0.000 3.149 133 I HA 0.652 4.822 4.170 -0.001 0.000 0.310 133 I C -1.619 174.494 176.117 -0.006 0.000 1.343 133 I CA -1.314 59.959 61.300 -0.045 0.000 0.955 133 I CB 1.887 39.778 38.000 -0.182 0.000 1.309 133 I HN 0.348 nan 8.210 nan 0.000 0.478 134 V N 0.373 120.265 119.914 -0.036 0.000 2.719 134 V HA 0.422 4.542 4.120 -0.001 0.000 0.289 134 V C -0.981 175.090 176.094 -0.038 0.000 1.167 134 V CA -0.675 61.610 62.300 -0.026 0.000 0.929 134 V CB 1.062 32.880 31.823 -0.009 0.000 1.050 134 V HN 0.609 nan 8.190 nan 0.000 0.448 135 L N 3.397 124.600 121.223 -0.032 0.000 2.418 135 L HA 0.402 4.741 4.340 -0.001 0.000 0.274 135 L C 1.287 178.148 176.870 -0.014 0.000 1.135 135 L CA 0.603 55.430 54.840 -0.023 0.000 0.870 135 L CB 0.317 42.372 42.059 -0.007 0.000 1.154 135 L HN 0.884 nan 8.230 nan 0.000 0.462 136 D N 3.769 124.161 120.400 -0.013 0.000 2.178 136 D HA 0.012 4.651 4.640 -0.001 0.000 0.217 136 D C -1.050 175.246 176.300 -0.007 0.000 0.992 136 D CA 1.040 55.033 54.000 -0.012 0.000 0.895 136 D CB -0.146 40.645 40.800 -0.014 0.000 1.031 136 D HN 0.334 nan 8.370 nan 0.000 0.453 137 P HA 0.172 nan 4.420 nan 0.000 0.204 137 P C -0.743 176.570 177.300 0.022 0.000 1.180 137 P CA 0.785 63.888 63.100 0.006 0.000 0.897 137 P CB 0.140 31.843 31.700 0.004 0.000 0.737 138 K N -1.253 119.176 120.400 0.048 0.000 2.435 138 K HA 0.779 5.099 4.320 -0.001 0.000 0.251 138 K C -0.779 175.905 176.600 0.141 0.000 0.954 138 K CA -1.033 55.307 56.287 0.087 0.000 0.820 138 K CB 2.035 34.611 32.500 0.127 0.000 1.292 138 K HN 0.088 nan 8.250 nan 0.000 0.436 139 G N 0.615 109.502 108.800 0.144 0.000 3.743 139 G HA2 0.416 4.376 3.960 -0.001 0.000 0.289 139 G HA3 0.416 4.376 3.960 -0.001 0.000 0.289 139 G C 0.471 175.426 174.900 0.092 0.000 2.097 139 G CA -0.165 45.042 45.100 0.179 0.000 0.624 139 G HN 0.728 nan 8.290 nan 0.000 0.402 140 A N 1.591 124.399 122.820 -0.021 0.000 1.894 140 A HA -0.109 4.210 4.320 -0.001 0.000 0.220 140 A C 1.436 178.943 177.584 -0.129 0.000 1.237 140 A CA 1.135 52.981 52.037 -0.318 0.000 0.660 140 A CB -0.462 17.937 19.000 -1.002 0.000 0.835 140 A HN 0.643 nan 8.150 nan 0.000 0.461 141 I N -0.221 120.335 120.570 -0.023 0.000 3.003 141 I HA 0.038 4.208 4.170 -0.001 0.000 0.294 141 I C 0.575 176.691 176.117 -0.002 0.000 1.237 141 I CA 0.565 61.865 61.300 0.001 0.000 1.417 141 I CB 0.030 38.058 38.000 0.047 0.000 1.340 141 I HN 0.280 nan 8.210 nan 0.000 0.594 142 L N 5.208 126.428 121.223 -0.005 0.000 2.365 142 L HA 0.467 4.806 4.340 -0.001 0.000 0.267 142 L C 1.043 177.916 176.870 0.005 0.000 1.033 142 L CA -0.706 54.131 54.840 -0.004 0.000 0.802 142 L CB 0.656 42.709 42.059 -0.009 0.000 1.267 142 L HN 0.676 nan 8.230 nan 0.000 0.457 143 N N -0.354 118.349 118.700 0.005 0.000 2.332 143 N HA 0.129 4.869 4.740 -0.001 0.000 0.190 143 N C 0.844 176.357 175.510 0.005 0.000 1.117 143 N CA 0.894 53.949 53.050 0.008 0.000 0.883 143 N CB 1.915 40.408 38.487 0.009 0.000 1.089 143 N HN 0.840 nan 8.380 nan 0.000 0.480 144 G N -0.077 108.724 108.800 0.002 0.000 3.609 144 G HA2 0.017 3.976 3.960 -0.001 0.000 0.219 144 G HA3 0.017 3.976 3.960 -0.001 0.000 0.219 144 G C -0.712 174.186 174.900 -0.003 0.000 0.951 144 G CA 0.182 45.282 45.100 0.000 0.000 0.867 144 G HN 0.202 nan 8.290 nan 0.000 0.478 145 V N 2.325 122.236 119.914 -0.005 0.000 3.126 145 V HA 0.773 4.893 4.120 -0.001 0.000 0.314 145 V C -1.991 174.095 176.094 -0.012 0.000 1.138 145 V CA -2.212 60.083 62.300 -0.008 0.000 1.034 145 V CB 2.602 34.421 31.823 -0.007 0.000 1.075 145 V HN 0.079 nan 8.190 nan 0.000 0.442 146 P HA 0.009 nan 4.420 nan 0.000 0.271 146 P C -0.158 177.131 177.300 -0.017 0.000 1.238 146 P CA 0.359 63.445 63.100 -0.024 0.000 0.794 146 P CB 0.439 32.122 31.700 -0.028 0.000 0.959 147 V N 1.029 120.931 119.914 -0.021 0.000 2.720 147 V HA -0.101 4.019 4.120 -0.001 0.000 0.307 147 V C 0.416 176.506 176.094 -0.007 0.000 1.071 147 V CA 0.421 62.717 62.300 -0.008 0.000 1.199 147 V CB -0.651 31.170 31.823 -0.004 0.000 0.900 147 V HN 0.420 nan 8.190 nan 0.000 0.494 148 E N 5.524 125.723 120.200 -0.002 0.000 2.003 148 E HA 0.129 4.479 4.350 -0.001 0.000 0.279 148 E C 0.609 177.205 176.600 -0.006 0.000 1.132 148 E CA -0.397 56.000 56.400 -0.006 0.000 0.888 148 E CB 0.822 30.518 29.700 -0.006 0.000 1.056 148 E HN 0.758 nan 8.360 nan 0.000 0.399 149 K N 2.290 122.685 120.400 -0.008 0.000 2.089 149 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 149 K C 1.690 178.284 176.600 -0.011 0.000 1.048 149 K CA 1.457 57.739 56.287 -0.008 0.000 0.926 149 K CB 0.011 32.504 32.500 -0.011 0.000 0.714 149 K HN 0.208 nan 8.250 nan 0.000 0.448 150 R N -0.739 119.754 120.500 -0.012 0.000 2.526 150 R HA 0.154 4.493 4.340 -0.001 0.000 0.346 150 R C -0.253 176.039 176.300 -0.014 0.000 0.926 150 R CA -0.080 56.011 56.100 -0.015 0.000 1.147 150 R CB 0.649 30.939 30.300 -0.016 0.000 1.629 150 R HN 0.082 nan 8.270 nan 0.000 0.516 151 Q N 0.847 120.639 119.800 -0.013 0.000 2.500 151 Q HA 0.250 4.589 4.340 -0.001 0.000 0.215 151 Q C -0.285 175.706 176.000 -0.015 0.000 1.062 151 Q CA 0.075 55.870 55.803 -0.013 0.000 0.996 151 Q CB 0.821 29.552 28.738 -0.012 0.000 1.239 151 Q HN 0.341 nan 8.270 nan 0.000 0.578 152 L N 0.536 121.749 121.223 -0.016 0.000 2.334 152 L HA 0.797 5.136 4.340 -0.001 0.000 0.273 152 L C -1.198 175.656 176.870 -0.026 0.000 1.013 152 L CA -1.093 53.736 54.840 -0.018 0.000 0.816 152 L CB 1.128 43.181 42.059 -0.011 0.000 1.278 152 L HN 0.580 nan 8.230 nan 0.000 0.431 153 L N 1.012 122.216 121.223 -0.031 0.000 2.222 153 L HA 0.807 5.146 4.340 -0.001 0.000 0.249 153 L C -0.114 176.725 176.870 -0.051 0.000 1.063 153 L CA -0.365 54.457 54.840 -0.030 0.000 0.875 153 L CB 1.378 43.438 42.059 0.001 0.000 1.468 153 L HN 0.710 nan 8.230 nan 0.000 0.433 154 T N -1.845 112.683 114.554 -0.042 0.000 2.936 154 T HA 0.328 4.677 4.350 -0.001 0.000 0.282 154 T C 0.372 175.153 174.700 0.135 0.000 1.003 154 T CA 0.103 62.143 62.100 -0.100 0.000 1.005 154 T CB 1.190 69.972 68.868 -0.142 0.000 1.097 154 T HN 0.811 nan 8.240 nan 0.000 0.532 155 D N 0.514 121.069 120.400 0.259 0.000 2.117 155 D HA -0.081 4.559 4.640 -0.001 0.000 0.197 155 D C 1.893 178.356 176.300 0.273 0.000 0.987 155 D CA 1.234 55.500 54.000 0.444 0.000 0.829 155 D CB 0.209 41.310 40.800 0.501 0.000 0.961 155 D HN 0.493 nan 8.370 nan 0.000 0.460 156 E N 0.694 120.991 120.200 0.161 0.000 2.013 156 E HA -0.210 4.140 4.350 -0.001 0.000 0.202 156 E C 2.160 178.816 176.600 0.094 0.000 1.018 156 E CA 1.130 57.597 56.400 0.112 0.000 0.834 156 E CB -0.638 29.104 29.700 0.071 0.000 0.770 156 E HN 0.498 nan 8.360 nan 0.000 0.459 157 E N -0.172 120.078 120.200 0.083 0.000 2.160 157 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 157 E C 1.975 178.631 176.600 0.092 0.000 0.991 157 E CA 0.995 57.435 56.400 0.066 0.000 0.810 157 E CB -0.278 29.453 29.700 0.052 0.000 0.742 157 E HN 0.244 nan 8.360 nan 0.000 0.466 158 Y N 1.554 121.849 120.300 -0.008 0.000 2.263 158 Y HA -0.079 4.470 4.550 -0.001 0.000 0.292 158 Y C 1.929 177.774 175.900 -0.091 0.000 1.130 158 Y CA 1.261 59.347 58.100 -0.023 0.000 1.179 158 Y CB -0.004 38.478 38.460 0.037 0.000 0.998 158 Y HN -0.170 nan 8.280 nan 0.000 0.532 159 R N 0.456 120.863 120.500 -0.155 0.000 2.070 159 R HA -0.182 4.158 4.340 -0.001 0.000 0.233 159 R C 2.120 178.034 176.300 -0.643 0.000 1.137 159 R CA 1.986 57.904 56.100 -0.303 0.000 0.945 159 R CB -0.448 29.896 30.300 0.073 0.000 0.845 159 R HN 0.501 nan 8.270 nan 0.000 0.430 160 E N 0.868 120.905 120.200 -0.271 0.000 2.147 160 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 160 E C 2.098 178.435 176.600 -0.439 0.000 1.005 160 E CA 1.436 57.695 56.400 -0.234 0.000 0.810 160 E CB -0.285 29.400 29.700 -0.024 0.000 0.736 160 E HN 0.314 nan 8.360 nan 0.000 0.460 161 L N 0.370 121.376 121.223 -0.362 0.000 2.131 161 L HA -0.069 4.271 4.340 -0.001 0.000 0.206 161 L C 2.562 179.239 176.870 -0.321 0.000 1.087 161 L CA 1.233 55.930 54.840 -0.239 0.000 0.767 161 L CB -0.015 41.996 42.059 -0.080 0.000 0.917 161 L HN -0.080 nan 8.230 nan 0.000 0.441 162 R N -0.910 119.280 120.500 -0.516 0.000 2.055 162 R HA -0.139 4.201 4.340 -0.001 0.000 0.226 162 R C 2.415 178.562 176.300 -0.255 0.000 1.135 162 R CA 1.808 57.701 56.100 -0.345 0.000 0.959 162 R CB -0.524 29.568 30.300 -0.347 0.000 0.854 162 R HN 0.599 nan 8.270 nan 0.000 0.431 163 Y N -0.445 119.803 120.300 -0.086 0.000 2.446 163 Y HA -0.006 4.543 4.550 -0.001 0.000 0.287 163 Y C 2.031 177.908 175.900 -0.037 0.000 1.159 163 Y CA 0.240 58.301 58.100 -0.065 0.000 1.297 163 Y CB -1.429 36.983 38.460 -0.079 0.000 0.974 163 Y HN 0.157 nan 8.280 nan 0.000 0.557 164 G N 1.200 110.010 108.800 0.017 0.000 2.884 164 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.262 164 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.262 164 G C 1.518 176.458 174.900 0.067 0.000 1.107 164 G CA 2.384 47.504 45.100 0.034 0.000 0.739 164 G HN 0.500 nan 8.290 nan 0.000 0.663 165 K N -0.392 120.041 120.400 0.055 0.000 2.118 165 K HA 0.147 4.466 4.320 -0.001 0.000 0.214 165 K C 1.493 178.129 176.600 0.060 0.000 1.023 165 K CA 0.049 56.372 56.287 0.061 0.000 0.948 165 K CB -0.196 32.341 32.500 0.062 0.000 0.851 165 K HN 0.302 nan 8.250 nan 0.000 0.455 166 Q N 2.285 122.116 119.800 0.052 0.000 2.263 166 Q HA -0.019 4.320 4.340 -0.001 0.000 0.270 166 Q C -1.306 174.716 176.000 0.038 0.000 1.104 166 Q CA 0.634 56.463 55.803 0.044 0.000 0.909 166 Q CB 0.351 29.110 28.738 0.036 0.000 1.214 166 Q HN 0.167 nan 8.270 nan 0.000 0.400 167 E N 2.809 123.030 120.200 0.035 0.000 2.199 167 E HA 0.219 4.569 4.350 -0.001 0.000 0.265 167 E C -0.878 175.708 176.600 -0.024 0.000 0.882 167 E CA -0.594 55.807 56.400 0.002 0.000 0.759 167 E CB 1.678 31.394 29.700 0.025 0.000 1.148 167 E HN 0.633 nan 8.360 nan 0.000 0.412 168 T N 0.069 114.569 114.554 -0.090 0.000 2.817 168 T HA 0.336 4.685 4.350 -0.001 0.000 0.293 168 T C -0.615 173.979 174.700 -0.176 0.000 0.964 168 T CA -0.347 61.696 62.100 -0.094 0.000 1.085 168 T CB 0.374 69.183 68.868 -0.100 0.000 0.921 168 T HN 0.362 nan 8.240 nan 0.000 0.502 169 Y N 3.560 123.806 120.300 -0.089 0.000 2.338 169 Y HA 0.394 4.944 4.550 -0.001 0.000 0.328 169 Y C -2.384 173.454 175.900 -0.103 0.000 0.965 169 Y CA -2.473 55.575 58.100 -0.088 0.000 1.208 169 Y CB 2.126 40.536 38.460 -0.083 0.000 1.132 169 Y HN 0.581 nan 8.280 nan 0.000 0.469 170 P HA 0.188 nan 4.420 nan 0.000 0.275 170 P C -1.033 176.291 177.300 0.040 0.000 1.228 170 P CA -0.038 63.073 63.100 0.018 0.000 0.786 170 P CB 0.941 32.638 31.700 -0.005 0.000 0.927 171 L N 4.841 126.061 121.223 -0.004 0.000 2.349 171 L HA 0.430 4.769 4.340 -0.001 0.000 0.278 171 L C -2.018 174.851 176.870 -0.001 0.000 0.996 171 L CA -2.317 52.516 54.840 -0.012 0.000 0.825 171 L CB 1.991 44.017 42.059 -0.055 0.000 1.243 171 L HN 0.281 nan 8.230 nan 0.000 0.412 172 P HA 0.052 nan 4.420 nan 0.000 0.265 172 P C -2.575 174.731 177.300 0.011 0.000 1.187 172 P CA -0.790 62.315 63.100 0.009 0.000 0.766 172 P CB -0.340 31.365 31.700 0.008 0.000 0.820 173 P HA -0.050 nan 4.420 nan 0.000 0.265 173 P C 1.066 178.377 177.300 0.019 0.000 1.187 173 P CA 1.086 64.199 63.100 0.021 0.000 0.766 173 P CB -0.029 31.684 31.700 0.022 0.000 0.820 174 G N 0.937 109.752 108.800 0.024 0.000 2.179 174 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.260 174 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.260 174 G C -0.002 174.911 174.900 0.021 0.000 0.977 174 G CA 0.006 45.120 45.100 0.023 0.000 0.641 174 G HN 0.570 nan 8.290 nan 0.000 0.533 175 V N 1.267 121.192 119.914 0.019 0.000 2.407 175 V HA 0.524 4.644 4.120 -0.001 0.000 0.278 175 V C 0.110 176.217 176.094 0.022 0.000 1.037 175 V CA -0.642 61.667 62.300 0.014 0.000 0.900 175 V CB 1.711 33.536 31.823 0.003 0.000 0.983 175 V HN 0.293 nan 8.190 nan 0.000 0.459 176 D N 2.958 123.376 120.400 0.030 0.000 2.225 176 D HA 0.633 5.273 4.640 -0.001 0.000 0.249 176 D C 0.163 176.490 176.300 0.044 0.000 1.052 176 D CA 0.104 54.137 54.000 0.054 0.000 0.909 176 D CB 1.911 42.742 40.800 0.051 0.000 1.186 176 D HN 0.717 nan 8.370 nan 0.000 0.431 177 A N 2.319 125.190 122.820 0.085 0.000 2.257 177 A HA 0.471 4.791 4.320 -0.001 0.000 0.289 177 A C 0.587 178.214 177.584 0.071 0.000 1.095 177 A CA -0.408 51.664 52.037 0.058 0.000 0.836 177 A CB 0.426 19.464 19.000 0.064 0.000 1.111 177 A HN 0.644 nan 8.150 nan 0.000 0.497 178 L N 0.372 121.617 121.223 0.038 0.000 2.872 178 L HA 0.277 4.616 4.340 -0.001 0.000 0.245 178 L C -0.787 176.105 176.870 0.036 0.000 1.211 178 L CA 0.114 54.970 54.840 0.026 0.000 1.013 178 L CB -0.339 41.719 42.059 -0.002 0.000 1.326 178 L HN 0.314 nan 8.230 nan 0.000 0.525 179 V N -0.512 119.452 119.914 0.082 0.000 3.007 179 V HA 0.388 4.507 4.120 -0.001 0.000 0.311 179 V C -0.357 175.823 176.094 0.144 0.000 1.120 179 V CA -0.937 61.419 62.300 0.092 0.000 0.980 179 V CB 3.050 34.924 31.823 0.085 0.000 1.033 179 V HN 0.005 nan 8.190 nan 0.000 0.429 180 K N 1.285 121.718 120.400 0.055 0.000 2.090 180 K HA 0.288 4.607 4.320 -0.001 0.000 0.250 180 K C 1.070 177.640 176.600 -0.051 0.000 1.004 180 K CA -0.279 55.977 56.287 -0.053 0.000 0.919 180 K CB 0.382 32.837 32.500 -0.074 0.000 1.045 180 K HN 0.713 nan 8.250 nan 0.000 0.471 181 D N 0.760 120.963 120.400 -0.328 0.000 2.263 181 D HA -0.193 4.446 4.640 -0.001 0.000 0.193 181 D C 0.343 176.658 176.300 0.024 0.000 1.013 181 D CA 1.798 55.642 54.000 -0.261 0.000 0.892 181 D CB 0.244 40.872 40.800 -0.286 0.000 0.909 181 D HN 0.695 nan 8.370 nan 0.000 0.449 182 G N 0.384 109.176 108.800 -0.013 0.000 4.867 182 G HA2 0.079 4.039 3.960 -0.001 0.000 0.258 182 G HA3 0.079 4.039 3.960 -0.001 0.000 0.258 182 G C -0.103 174.789 174.900 -0.013 0.000 0.999 182 G CA -0.412 44.687 45.100 -0.002 0.000 0.797 182 G HN 0.110 nan 8.290 nan 0.000 0.505 183 E N 0.983 121.186 120.200 0.005 0.000 2.390 183 E HA 0.131 4.480 4.350 -0.001 0.000 0.261 183 E C -0.430 176.169 176.600 -0.002 0.000 1.076 183 E CA -0.277 56.122 56.400 -0.002 0.000 0.905 183 E CB 0.744 30.449 29.700 0.008 0.000 0.984 183 E HN 0.062 nan 8.360 nan 0.000 0.427 184 E N 1.961 122.155 120.200 -0.011 0.000 2.257 184 E HA 0.151 4.500 4.350 -0.001 0.000 0.278 184 E C -0.758 175.840 176.600 -0.004 0.000 1.049 184 E CA -0.122 56.272 56.400 -0.011 0.000 0.876 184 E CB 1.240 30.932 29.700 -0.014 0.000 1.035 184 E HN 0.180 nan 8.360 nan 0.000 0.419 185 V N 3.866 123.779 119.914 -0.001 0.000 2.513 185 V HA 0.334 4.453 4.120 -0.001 0.000 0.299 185 V C 0.317 176.411 176.094 -0.001 0.000 1.035 185 V CA -0.809 61.490 62.300 -0.002 0.000 0.889 185 V CB 2.071 33.892 31.823 -0.003 0.000 0.988 185 V HN 0.356 nan 8.190 nan 0.000 0.440 186 V N 3.205 123.117 119.914 -0.004 0.000 2.850 186 V HA 0.404 4.524 4.120 -0.001 0.000 0.315 186 V C 0.285 176.379 176.094 -0.001 0.000 1.064 186 V CA -1.223 61.077 62.300 0.000 0.000 0.979 186 V CB 1.925 33.748 31.823 -0.000 0.000 1.039 186 V HN 0.870 nan 8.190 nan 0.000 0.452 187 K N 1.690 122.094 120.400 0.007 0.000 2.437 187 K HA 0.256 4.575 4.320 -0.001 0.000 0.277 187 K C 1.057 177.657 176.600 -0.001 0.000 1.073 187 K CA 1.250 57.543 56.287 0.010 0.000 1.105 187 K CB -0.421 32.090 32.500 0.018 0.000 0.881 187 K HN 1.113 nan 8.250 nan 0.000 0.475 188 G N 2.365 111.159 108.800 -0.011 0.000 2.213 188 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.226 188 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.226 188 G C -0.029 174.848 174.900 -0.039 0.000 0.992 188 G CA -0.289 44.798 45.100 -0.021 0.000 0.632 188 G HN 0.605 nan 8.290 nan 0.000 0.511 189 Q N 1.414 121.189 119.800 -0.041 0.000 2.352 189 Q HA 0.273 4.613 4.340 -0.001 0.000 0.260 189 Q C 0.232 176.184 176.000 -0.079 0.000 0.976 189 Q CA 0.105 55.880 55.803 -0.047 0.000 0.881 189 Q CB 0.354 29.071 28.738 -0.034 0.000 1.235 189 Q HN 0.671 nan 8.270 nan 0.000 0.419 190 E N 4.176 124.332 120.200 -0.074 0.000 2.220 190 E HA 0.031 4.381 4.350 -0.001 0.000 0.272 190 E C 0.478 177.020 176.600 -0.097 0.000 1.099 190 E CA -0.058 56.284 56.400 -0.097 0.000 0.907 190 E CB 0.518 30.177 29.700 -0.069 0.000 1.022 190 E HN 0.502 nan 8.360 nan 0.000 0.428 191 L N 1.954 123.089 121.223 -0.147 0.000 2.591 191 L HA 0.243 4.583 4.340 -0.001 0.000 0.228 191 L C 0.604 177.412 176.870 -0.103 0.000 1.133 191 L CA 0.042 54.808 54.840 -0.122 0.000 0.880 191 L CB -0.107 41.848 42.059 -0.173 0.000 1.033 191 L HN 0.630 nan 8.230 nan 0.000 0.450 192 A N -1.296 121.462 122.820 -0.104 0.000 2.522 192 A HA 0.386 4.705 4.320 -0.001 0.000 0.294 192 A C -2.194 175.350 177.584 -0.067 0.000 1.001 192 A CA -0.707 51.287 52.037 -0.072 0.000 0.642 192 A CB 0.061 19.013 19.000 -0.080 0.000 1.326 192 A HN -0.188 nan 8.150 nan 0.000 0.435 193 P HA -0.191 nan 4.420 nan 0.000 0.217 193 P C 1.387 178.661 177.300 -0.043 0.000 1.158 193 P CA 2.712 65.791 63.100 -0.035 0.000 0.887 193 P CB 0.028 31.716 31.700 -0.020 0.000 0.792 194 G N -0.702 108.071 108.800 -0.045 0.000 2.545 194 G HA2 0.097 4.056 3.960 -0.001 0.000 0.212 194 G HA3 0.097 4.056 3.960 -0.001 0.000 0.212 194 G C 0.550 175.404 174.900 -0.076 0.000 1.144 194 G CA 0.015 45.090 45.100 -0.041 0.000 0.813 194 G HN 0.192 nan 8.290 nan 0.000 0.531 195 V N 1.099 120.934 119.914 -0.131 0.000 2.649 195 V HA 0.460 4.579 4.120 -0.001 0.000 0.292 195 V C -0.239 175.618 176.094 -0.395 0.000 1.055 195 V CA -0.347 61.763 62.300 -0.316 0.000 1.023 195 V CB 1.624 33.246 31.823 -0.334 0.000 0.992 195 V HN 0.071 nan 8.190 nan 0.000 0.480 196 V N 2.875 122.431 119.914 -0.598 0.000 2.668 196 V HA 0.412 4.531 4.120 -0.001 0.000 0.304 196 V C -0.115 175.700 176.094 -0.463 0.000 1.071 196 V CA -0.779 61.285 62.300 -0.392 0.000 0.894 196 V CB 1.806 33.515 31.823 -0.191 0.000 1.008 196 V HN 0.816 nan 8.190 nan 0.000 0.425 197 S N 3.775 119.309 115.700 -0.277 0.000 2.572 197 S HA 0.319 4.788 4.470 -0.001 0.000 0.279 197 S C 0.900 175.495 174.600 -0.008 0.000 1.341 197 S CA -0.553 57.574 58.200 -0.121 0.000 1.043 197 S CB 0.767 63.931 63.200 -0.059 0.000 0.887 197 S HN 0.770 nan 8.310 nan 0.000 0.516 198 R N 0.372 120.927 120.500 0.091 0.000 2.437 198 R HA 0.424 4.764 4.340 -0.001 0.000 0.257 198 R C -0.345 175.999 176.300 0.074 0.000 0.927 198 R CA 0.050 56.206 56.100 0.094 0.000 1.078 198 R CB 0.148 30.535 30.300 0.145 0.000 1.161 198 R HN 0.468 nan 8.270 nan 0.000 0.529 199 L N 0.764 122.026 121.223 0.065 0.000 2.540 199 L HA 0.309 4.648 4.340 -0.001 0.000 0.256 199 L C -1.368 175.526 176.870 0.039 0.000 1.001 199 L CA -0.992 53.880 54.840 0.053 0.000 0.843 199 L CB 2.858 44.956 42.059 0.065 0.000 1.436 199 L HN -0.055 nan 8.230 nan 0.000 0.410 200 D N 1.262 121.682 120.400 0.033 0.000 2.362 200 D HA 0.587 5.226 4.640 -0.001 0.000 0.242 200 D C 0.322 176.638 176.300 0.027 0.000 1.132 200 D CA 0.430 54.444 54.000 0.025 0.000 0.907 200 D CB 1.706 42.520 40.800 0.023 0.000 1.195 200 D HN 0.802 nan 8.370 nan 0.000 0.429 201 G N -0.865 107.945 108.800 0.017 0.000 2.350 201 G HA2 0.214 4.173 3.960 -0.001 0.000 0.276 201 G HA3 0.214 4.173 3.960 -0.001 0.000 0.276 201 G C -1.743 173.157 174.900 0.000 0.000 1.313 201 G CA -0.719 44.389 45.100 0.013 0.000 0.903 201 G HN 0.421 nan 8.290 nan 0.000 0.490 202 V N 1.002 120.912 119.914 -0.006 0.000 2.459 202 V HA 0.706 4.825 4.120 -0.001 0.000 0.295 202 V C 0.768 176.868 176.094 0.010 0.000 1.029 202 V CA -0.013 62.281 62.300 -0.012 0.000 0.874 202 V CB 1.275 33.071 31.823 -0.046 0.000 0.985 202 V HN 1.706 nan 8.190 nan 0.000 0.438 203 A N 6.622 129.457 122.820 0.025 0.000 2.354 203 A HA 0.716 5.035 4.320 -0.001 0.000 0.281 203 A C -0.584 177.055 177.584 0.091 0.000 1.174 203 A CA -0.077 51.989 52.037 0.048 0.000 0.828 203 A CB -0.158 18.879 19.000 0.060 0.000 1.099 203 A HN 0.773 nan 8.150 nan 0.000 0.516 204 L N 2.383 123.653 121.223 0.078 0.000 2.334 204 L HA 0.427 4.766 4.340 -0.001 0.000 0.276 204 L C -0.931 176.021 176.870 0.137 0.000 1.014 204 L CA -0.728 54.180 54.840 0.113 0.000 0.815 204 L CB 1.473 43.563 42.059 0.051 0.000 1.268 204 L HN 0.643 nan 8.230 nan 0.000 0.428 205 Y N 2.327 122.595 120.300 -0.053 0.000 2.308 205 Y HA 0.340 4.889 4.550 -0.001 0.000 0.329 205 Y C 0.261 176.078 175.900 -0.139 0.000 1.111 205 Y CA -0.482 57.574 58.100 -0.073 0.000 1.179 205 Y CB 0.969 39.405 38.460 -0.040 0.000 1.201 205 Y HN 0.299 nan 8.280 nan 0.000 0.483 206 R N 5.630 126.014 120.500 -0.194 0.000 2.247 206 R HA 0.302 4.641 4.340 -0.001 0.000 0.329 206 R C -0.648 175.357 176.300 -0.493 0.000 1.014 206 R CA -0.533 55.220 56.100 -0.579 0.000 0.907 206 R CB -0.267 29.595 30.300 -0.729 0.000 1.146 206 R HN 0.845 nan 8.270 nan 0.000 0.499 392 S N -0.535 115.070 115.700 -0.158 0.000 2.552 392 S HA 0.703 5.173 4.470 -0.001 0.000 0.272 392 S C -1.413 173.021 174.600 -0.276 0.000 1.150 392 S CA -0.495 57.600 58.200 -0.176 0.000 0.849 392 S CB 0.813 63.927 63.200 -0.143 0.000 1.113 392 S HN 0.647 nan 8.310 nan 0.000 0.458 393 I N 2.986 123.425 120.570 -0.217 0.000 2.354 393 I HA 0.325 4.495 4.170 -0.001 0.000 0.286 393 I C -0.364 175.699 176.117 -0.090 0.000 1.007 393 I CA -0.959 60.201 61.300 -0.235 0.000 1.167 393 I CB 1.579 39.430 38.000 -0.249 0.000 1.320 393 I HN 0.706 nan 8.210 nan 0.000 0.458 394 L N 5.580 126.751 121.223 -0.087 0.000 2.302 394 L HA 0.431 4.770 4.340 -0.001 0.000 0.285 394 L C -0.083 176.788 176.870 0.001 0.000 1.090 394 L CA -0.689 54.128 54.840 -0.038 0.000 0.866 394 L CB 0.508 42.534 42.059 -0.054 0.000 1.244 394 L HN 0.240 nan 8.230 nan 0.000 0.435 395 V N 4.707 124.641 119.914 0.033 0.000 2.357 395 V HA -0.048 4.071 4.120 -0.001 0.000 0.239 395 V C 0.777 176.893 176.094 0.037 0.000 1.168 395 V CA 0.180 62.504 62.300 0.041 0.000 1.262 395 V CB -0.042 31.822 31.823 0.067 0.000 1.314 395 V HN 0.606 nan 8.190 nan 0.000 0.486 396 V N 5.074 125.004 119.914 0.026 0.000 2.427 396 V HA 0.116 4.235 4.120 -0.001 0.000 0.268 396 V C 0.934 177.047 176.094 0.030 0.000 1.046 396 V CA -0.571 61.747 62.300 0.030 0.000 0.970 396 V CB 0.864 32.704 31.823 0.028 0.000 1.001 396 V HN 0.823 nan 8.190 nan 0.000 0.476 397 K N 4.176 124.602 120.400 0.042 0.000 2.652 397 K HA 0.370 4.690 4.320 -0.001 0.000 0.239 397 K C 0.144 176.773 176.600 0.049 0.000 1.235 397 K CA 0.118 56.432 56.287 0.044 0.000 1.191 397 K CB -0.466 32.068 32.500 0.057 0.000 1.348 397 K HN 0.864 nan 8.250 nan 0.000 0.239 398 A N 2.439 125.273 122.820 0.024 0.000 2.386 398 A HA 0.565 4.884 4.320 -0.001 0.000 0.311 398 A C -0.946 176.584 177.584 -0.089 0.000 1.068 398 A CA -0.974 51.067 52.037 0.007 0.000 0.743 398 A CB 1.060 20.076 19.000 0.026 0.000 1.258 398 A HN 0.589 nan 8.150 nan 0.000 0.429 399 R N 0.586 120.946 120.500 -0.232 0.000 2.312 399 R HA 0.417 4.756 4.340 -0.001 0.000 0.311 399 R C -0.499 175.410 176.300 -0.652 0.000 1.004 399 R CA -0.427 55.374 56.100 -0.498 0.000 0.902 399 R CB 1.808 31.675 30.300 -0.722 0.000 1.073 399 R HN 0.482 nan 8.270 nan 0.000 0.457 400 V N 6.554 126.246 119.914 -0.371 0.000 2.326 400 V HA 0.146 4.265 4.120 -0.001 0.000 0.249 400 V C -1.034 174.944 176.094 -0.194 0.000 1.114 400 V CA -0.241 61.937 62.300 -0.203 0.000 1.028 400 V CB -0.449 31.327 31.823 -0.077 0.000 1.170 400 V HN 0.553 nan 8.190 nan 0.000 0.494 401 Y N 7.427 127.768 120.300 0.069 0.000 2.504 401 Y HA 0.452 5.001 4.550 -0.001 0.000 0.351 401 Y C -1.898 174.078 175.900 0.127 0.000 0.988 401 Y CA -3.071 55.077 58.100 0.080 0.000 1.239 401 Y CB 0.006 38.512 38.460 0.077 0.000 1.128 401 Y HN 0.514 nan 8.280 nan 0.000 0.525 402 P HA 0.133 nan 4.420 nan 0.000 0.275 402 P C -0.912 176.499 177.300 0.185 0.000 1.228 402 P CA -0.263 62.898 63.100 0.102 0.000 0.786 402 P CB 0.458 32.161 31.700 0.004 0.000 0.927 403 F N -0.905 119.076 119.950 0.052 0.000 2.569 403 F HA 0.557 5.083 4.527 -0.001 0.000 0.312 403 F C 0.552 176.367 175.800 0.025 0.000 1.109 403 F CA -0.812 57.211 58.000 0.037 0.000 0.919 403 F CB 1.621 40.642 39.000 0.035 0.000 1.211 403 F HN 0.224 nan 8.300 nan 0.000 0.446 404 E N 0.445 120.713 120.200 0.113 0.000 2.307 404 E HA 0.019 4.369 4.350 -0.001 0.000 0.195 404 E C -0.539 176.146 176.600 0.141 0.000 0.975 404 E CA 0.286 56.706 56.400 0.033 0.000 0.878 404 E CB 0.250 29.963 29.700 0.021 0.000 0.845 404 E HN 0.666 nan 8.360 nan 0.000 0.488 405 D N 0.481 121.020 120.400 0.231 0.000 2.268 405 D HA 0.053 4.693 4.640 -0.001 0.000 0.249 405 D C -0.453 176.009 176.300 0.270 0.000 1.008 405 D CA -0.630 53.487 54.000 0.196 0.000 0.939 405 D CB 1.080 41.944 40.800 0.106 0.000 1.170 405 D HN -0.269 nan 8.370 nan 0.000 0.468 406 D N 0.235 120.717 120.400 0.138 0.000 2.429 406 D HA -0.018 4.621 4.640 -0.001 0.000 0.233 406 D C -0.418 175.766 176.300 -0.193 0.000 1.202 406 D CA 0.206 54.217 54.000 0.019 0.000 0.879 406 D CB 0.673 41.472 40.800 -0.001 0.000 1.212 406 D HN 0.039 nan 8.370 nan 0.000 0.465 407 V N 1.816 121.485 119.914 -0.408 0.000 2.644 407 V HA 0.185 4.305 4.120 -0.001 0.000 0.295 407 V C 1.146 177.093 176.094 -0.246 0.000 1.053 407 V CA -0.456 61.544 62.300 -0.500 0.000 0.987 407 V CB 1.507 32.929 31.823 -0.669 0.000 1.006 407 V HN 0.535 nan 8.190 nan 0.000 0.472 408 E N 2.306 122.386 120.200 -0.199 0.000 2.389 408 E HA 0.130 4.479 4.350 -0.001 0.000 0.199 408 E C 0.215 176.747 176.600 -0.113 0.000 0.978 408 E CA 0.319 56.643 56.400 -0.126 0.000 0.912 408 E CB 0.486 30.125 29.700 -0.101 0.000 0.907 408 E HN 0.577 nan 8.360 nan 0.000 0.494 409 V N 1.357 121.190 119.914 -0.135 0.000 2.743 409 V HA 0.429 4.548 4.120 -0.001 0.000 0.301 409 V C 0.040 176.083 176.094 -0.086 0.000 1.057 409 V CA -0.425 61.815 62.300 -0.100 0.000 1.006 409 V CB 1.678 33.442 31.823 -0.099 0.000 1.024 409 V HN 0.249 nan 8.190 nan 0.000 0.473 410 S N 0.879 116.548 115.700 -0.052 0.000 2.532 410 S HA 0.456 4.926 4.470 -0.001 0.000 0.301 410 S C -0.267 174.326 174.600 -0.012 0.000 1.083 410 S CA -0.735 57.445 58.200 -0.033 0.000 1.025 410 S CB 1.389 64.574 63.200 -0.025 0.000 1.056 410 S HN 0.677 nan 8.310 nan 0.000 0.494 411 T N 2.493 117.048 114.554 0.002 0.000 2.831 411 T HA 0.437 4.786 4.350 -0.001 0.000 0.291 411 T C 1.474 176.184 174.700 0.017 0.000 0.981 411 T CA 1.073 63.185 62.100 0.019 0.000 1.174 411 T CB -0.240 68.647 68.868 0.033 0.000 0.929 411 T HN 1.384 nan 8.240 nan 0.000 0.532 412 G N 3.499 112.310 108.800 0.019 0.000 2.391 412 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.204 412 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.204 412 G C 0.002 174.909 174.900 0.012 0.000 1.012 412 G CA -0.215 44.895 45.100 0.016 0.000 0.651 412 G HN 0.720 nan 8.290 nan 0.000 0.494 413 D N 1.413 121.817 120.400 0.007 0.000 2.423 413 D HA 0.517 5.157 4.640 -0.001 0.000 0.238 413 D C 0.934 177.241 176.300 0.012 0.000 1.142 413 D CA 0.121 54.123 54.000 0.003 0.000 0.884 413 D CB 0.489 41.284 40.800 -0.008 0.000 1.199 413 D HN 0.350 nan 8.370 nan 0.000 0.438 414 R N 0.911 121.421 120.500 0.017 0.000 2.457 414 R HA 0.663 5.002 4.340 -0.001 0.000 0.284 414 R C -0.591 175.729 176.300 0.034 0.000 1.024 414 R CA -0.676 55.446 56.100 0.036 0.000 1.025 414 R CB 1.359 31.685 30.300 0.043 0.000 1.063 414 R HN 0.140 nan 8.270 nan 0.000 0.493 415 V N 0.333 120.275 119.914 0.047 0.000 3.102 415 V HA 0.908 5.028 4.120 -0.001 0.000 0.312 415 V C -0.576 175.483 176.094 -0.059 0.000 1.135 415 V CA -0.915 61.377 62.300 -0.013 0.000 1.022 415 V CB 2.159 33.954 31.823 -0.047 0.000 1.056 415 V HN 0.893 nan 8.190 nan 0.000 0.436 416 A N 1.922 124.595 122.820 -0.246 0.000 2.479 416 A HA 0.944 5.263 4.320 -0.001 0.000 0.296 416 A C -3.071 174.195 177.584 -0.529 0.000 1.121 416 A CA -2.015 49.585 52.037 -0.729 0.000 0.743 416 A CB 1.871 20.558 19.000 -0.522 0.000 1.323 416 A HN 0.611 nan 8.150 nan 0.000 0.415 417 P HA 0.327 nan 4.420 nan 0.000 0.264 417 P C 0.896 178.086 177.300 -0.184 0.000 1.229 417 P CA 1.981 64.918 63.100 -0.272 0.000 0.780 417 P CB 0.508 32.093 31.700 -0.190 0.000 0.808 418 G N 3.180 111.887 108.800 -0.154 0.000 2.612 418 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.200 418 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.200 418 G C -0.167 174.654 174.900 -0.132 0.000 1.053 418 G CA -0.566 44.463 45.100 -0.118 0.000 0.707 418 G HN 0.489 nan 8.290 nan 0.000 0.497 419 D N 1.744 122.055 120.400 -0.147 0.000 2.586 419 D HA 0.360 5.000 4.640 -0.001 0.000 0.234 419 D C 1.049 177.253 176.300 -0.160 0.000 1.132 419 D CA 0.481 54.401 54.000 -0.133 0.000 0.860 419 D CB 1.263 41.987 40.800 -0.126 0.000 1.159 419 D HN 0.329 nan 8.370 nan 0.000 0.490 420 V N 4.146 123.983 119.914 -0.128 0.000 2.901 420 V HA -0.045 4.075 4.120 -0.001 0.000 0.307 420 V C 1.350 177.351 176.094 -0.154 0.000 1.084 420 V CA 0.495 62.717 62.300 -0.131 0.000 1.184 420 V CB 0.696 32.464 31.823 -0.091 0.000 0.941 420 V HN 0.521 nan 8.190 nan 0.000 0.493 421 L N 2.576 123.695 121.223 -0.173 0.000 2.694 421 L HA 0.686 5.025 4.340 -0.001 0.000 0.228 421 L C 0.604 177.366 176.870 -0.181 0.000 1.048 421 L CA 0.721 55.451 54.840 -0.182 0.000 0.887 421 L CB 0.156 42.077 42.059 -0.230 0.000 1.265 421 L HN 0.747 nan 8.230 nan 0.000 0.492 422 A N -0.625 122.111 122.820 -0.140 0.000 2.515 422 A HA 0.480 4.800 4.320 -0.001 0.000 0.292 422 A C -1.333 176.229 177.584 -0.036 0.000 1.065 422 A CA -0.179 51.773 52.037 -0.142 0.000 0.641 422 A CB 0.432 19.265 19.000 -0.278 0.000 1.306 422 A HN 0.259 nan 8.150 nan 0.000 0.441 423 D N -0.515 119.884 120.400 -0.001 0.000 2.723 423 D HA 0.054 4.694 4.640 -0.001 0.000 0.236 423 D C 1.029 177.334 176.300 0.007 0.000 1.138 423 D CA 2.856 56.879 54.000 0.037 0.000 0.676 423 D CB -1.858 38.992 40.800 0.083 0.000 1.069 423 D HN 2.435 nan 8.370 nan 0.000 0.430 424 G N -0.237 108.554 108.800 -0.015 0.000 2.552 424 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.265 424 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.265 424 G C 1.009 175.892 174.900 -0.029 0.000 1.234 424 G CA 0.633 45.720 45.100 -0.020 0.000 0.944 424 G HN 1.073 nan 8.290 nan 0.000 0.568 425 G N 0.065 108.849 108.800 -0.026 0.000 3.124 425 G HA2 0.247 4.206 3.960 -0.001 0.000 0.212 425 G HA3 0.247 4.206 3.960 -0.001 0.000 0.212 425 G C 1.297 176.181 174.900 -0.027 0.000 1.181 425 G CA 1.426 46.506 45.100 -0.034 0.000 0.803 425 G HN 0.742 nan 8.290 nan 0.000 0.529 426 K N -0.036 120.357 120.400 -0.013 0.000 2.001 426 K HA 0.016 4.336 4.320 -0.001 0.000 0.208 426 K C 0.343 176.944 176.600 0.001 0.000 1.048 426 K CA 0.648 56.936 56.287 0.002 0.000 0.932 426 K CB -0.120 32.392 32.500 0.020 0.000 0.715 426 K HN 0.106 nan 8.250 nan 0.000 0.437 427 V N 3.698 123.608 119.914 -0.006 0.000 2.320 427 V HA 0.130 4.249 4.120 -0.001 0.000 0.265 427 V C -0.579 175.430 176.094 -0.142 0.000 1.048 427 V CA -0.213 62.074 62.300 -0.022 0.000 0.865 427 V CB 0.870 32.721 31.823 0.047 0.000 1.043 427 V HN 0.222 nan 8.190 nan 0.000 0.474 428 K N 2.978 123.260 120.400 -0.197 0.000 2.267 428 K HA 0.636 4.955 4.320 -0.001 0.000 0.246 428 K C -0.200 176.050 176.600 -0.584 0.000 0.954 428 K CA -0.621 55.492 56.287 -0.290 0.000 0.824 428 K CB 2.052 34.457 32.500 -0.158 0.000 1.167 428 K HN 0.473 nan 8.250 nan 0.000 0.431 429 S N 0.902 116.240 115.700 -0.602 0.000 2.617 429 S HA 0.097 4.567 4.470 -0.001 0.000 0.269 429 S C 0.011 174.517 174.600 -0.157 0.000 1.292 429 S CA -0.523 57.264 58.200 -0.687 0.000 1.010 429 S CB 0.491 63.474 63.200 -0.362 0.000 0.944 429 S HN 0.588 nan 8.310 nan 0.000 0.536 430 D N 0.071 120.576 120.400 0.175 0.000 2.479 430 D HA 0.217 4.856 4.640 -0.001 0.000 0.216 430 D C -0.087 176.254 176.300 0.069 0.000 1.110 430 D CA 0.403 54.480 54.000 0.128 0.000 0.841 430 D CB 0.399 41.322 40.800 0.204 0.000 1.040 430 D HN 0.214 nan 8.370 nan 0.000 0.505 431 V N 0.274 120.243 119.914 0.091 0.000 3.130 431 V HA 0.340 4.460 4.120 -0.001 0.000 0.310 431 V C -0.877 175.233 176.094 0.026 0.000 1.158 431 V CA -1.169 61.176 62.300 0.075 0.000 1.029 431 V CB 1.922 33.828 31.823 0.138 0.000 1.057 431 V HN -0.107 nan 8.190 nan 0.000 0.436 432 Y N 0.930 121.282 120.300 0.087 0.000 2.304 432 Y HA 0.689 5.238 4.550 -0.001 0.000 0.327 432 Y C 0.961 176.899 175.900 0.065 0.000 1.209 432 Y CA 1.504 59.646 58.100 0.071 0.000 1.299 432 Y CB 1.484 39.994 38.460 0.083 0.000 1.249 432 Y HN 1.044 nan 8.280 nan 0.000 0.519 433 G N 1.714 110.643 108.800 0.215 0.000 2.369 433 G HA2 0.082 4.041 3.960 -0.001 0.000 0.293 433 G HA3 0.082 4.041 3.960 -0.001 0.000 0.293 433 G C -1.584 173.370 174.900 0.089 0.000 1.301 433 G CA -1.299 43.880 45.100 0.132 0.000 0.913 433 G HN 0.403 nan 8.290 nan 0.000 0.540 434 R N -1.061 119.479 120.500 0.068 0.000 2.707 434 R HA 0.595 4.935 4.340 -0.001 0.000 0.270 434 R C -0.184 176.152 176.300 0.060 0.000 1.083 434 R CA -0.233 55.898 56.100 0.052 0.000 1.182 434 R CB 1.213 31.537 30.300 0.040 0.000 1.084 434 R HN 0.442 nan 8.270 nan 0.000 0.528 435 V N 1.766 121.709 119.914 0.048 0.000 2.680 435 V HA 0.315 4.434 4.120 -0.001 0.000 0.309 435 V C -0.957 175.168 176.094 0.051 0.000 1.052 435 V CA -0.749 61.582 62.300 0.052 0.000 0.908 435 V CB 2.058 33.899 31.823 0.029 0.000 1.001 435 V HN 0.692 nan 8.190 nan 0.000 0.431 436 E N 2.370 122.610 120.200 0.067 0.000 2.373 436 E HA 0.398 4.747 4.350 -0.001 0.000 0.251 436 E C -1.037 175.617 176.600 0.090 0.000 0.923 436 E CA -0.446 55.997 56.400 0.071 0.000 0.798 436 E CB 1.900 31.643 29.700 0.072 0.000 1.303 436 E HN 0.338 nan 8.360 nan 0.000 0.412 437 V N 3.274 123.233 119.914 0.076 0.000 2.276 437 V HA 0.071 4.190 4.120 -0.001 0.000 0.249 437 V C -0.129 176.051 176.094 0.143 0.000 1.160 437 V CA -0.300 62.056 62.300 0.094 0.000 1.042 437 V CB -0.160 31.676 31.823 0.022 0.000 1.224 437 V HN 0.624 nan 8.190 nan 0.000 0.496 438 D N 4.382 124.889 120.400 0.179 0.000 2.338 438 D HA 0.181 4.821 4.640 -0.001 0.000 0.255 438 D C 0.716 177.141 176.300 0.208 0.000 1.237 438 D CA -0.142 53.960 54.000 0.170 0.000 0.883 438 D CB 1.824 42.709 40.800 0.141 0.000 1.087 438 D HN 0.499 nan 8.370 nan 0.000 0.485 439 L N 0.816 122.146 121.223 0.178 0.000 2.685 439 L HA 0.196 4.535 4.340 -0.001 0.000 0.233 439 L C 0.998 177.927 176.870 0.099 0.000 1.173 439 L CA -0.117 54.828 54.840 0.175 0.000 0.961 439 L CB 0.191 42.349 42.059 0.164 0.000 1.217 439 L HN 0.067 nan 8.230 nan 0.000 0.478 440 V N -0.493 119.475 119.914 0.091 0.000 3.307 440 V HA 0.153 4.272 4.120 -0.001 0.000 0.253 440 V C 1.881 177.995 176.094 0.033 0.000 1.149 440 V CA 0.793 63.134 62.300 0.069 0.000 1.112 440 V CB -0.302 31.584 31.823 0.105 0.000 0.777 440 V HN 0.489 nan 8.190 nan 0.000 0.464 441 R N -0.309 120.203 120.500 0.019 0.000 2.572 441 R HA 0.335 4.674 4.340 -0.001 0.000 0.370 441 R C 0.308 176.541 176.300 -0.111 0.000 1.005 441 R CA -0.190 55.892 56.100 -0.031 0.000 1.146 441 R CB 0.152 30.446 30.300 -0.010 0.000 1.390 441 R HN 0.223 nan 8.270 nan 0.000 0.553 442 N N 0.740 119.353 118.700 -0.145 0.000 2.725 442 N HA -0.174 4.566 4.740 -0.001 0.000 0.251 442 N C -1.222 173.872 175.510 -0.694 0.000 1.031 442 N CA 0.987 53.746 53.050 -0.485 0.000 0.720 442 N CB -0.559 37.621 38.487 -0.510 0.000 0.930 442 N HN 0.105 nan 8.380 nan 0.000 0.543 443 V N -0.320 119.534 119.914 -0.100 0.000 3.159 443 V HA 0.598 4.718 4.120 -0.001 0.000 0.308 443 V C -0.813 175.562 176.094 0.467 0.000 1.190 443 V CA -0.679 61.710 62.300 0.148 0.000 1.037 443 V CB 2.785 34.639 31.823 0.052 0.000 1.060 443 V HN -0.148 nan 8.190 nan 0.000 0.437 444 V N 5.363 125.544 119.914 0.446 0.000 2.349 444 V HA 0.523 4.643 4.120 -0.001 0.000 0.284 444 V C -0.001 176.271 176.094 0.297 0.000 1.014 444 V CA -0.699 61.794 62.300 0.322 0.000 0.826 444 V CB 1.438 33.399 31.823 0.231 0.000 1.009 444 V HN 0.923 nan 8.190 nan 0.000 0.431 445 R N 3.543 124.161 120.500 0.197 0.000 2.457 445 R HA 0.816 5.156 4.340 -0.001 0.000 0.284 445 R C -1.361 175.041 176.300 0.170 0.000 1.024 445 R CA -0.652 55.535 56.100 0.146 0.000 1.025 445 R CB 1.723 32.074 30.300 0.085 0.000 1.063 445 R HN 0.316 nan 8.270 nan 0.000 0.493 446 V N 4.187 124.209 119.914 0.180 0.000 2.398 446 V HA 0.103 4.222 4.120 -0.001 0.000 0.282 446 V C 0.863 177.032 176.094 0.125 0.000 1.014 446 V CA -0.889 61.518 62.300 0.178 0.000 0.838 446 V CB 1.019 33.013 31.823 0.284 0.000 1.018 446 V HN 0.796 nan 8.190 nan 0.000 0.432 447 V N 1.927 121.895 119.914 0.091 0.000 4.056 447 V HA 0.285 4.404 4.120 -0.001 0.000 0.293 447 V C 0.183 176.332 176.094 0.092 0.000 1.051 447 V CA 0.324 62.669 62.300 0.075 0.000 1.099 447 V CB 0.705 32.563 31.823 0.059 0.000 1.176 447 V HN 0.956 nan 8.190 nan 0.000 0.469 448 E N -0.338 119.912 120.200 0.084 0.000 2.272 448 E HA 0.584 4.933 4.350 -0.001 0.000 0.269 448 E C -1.406 175.247 176.600 0.088 0.000 0.877 448 E CA -0.362 56.100 56.400 0.104 0.000 0.755 448 E CB 2.031 31.791 29.700 0.101 0.000 1.192 448 E HN 1.045 nan 8.360 nan 0.000 0.422 449 S N 3.884 119.643 115.700 0.098 0.000 2.562 449 S HA 0.390 4.860 4.470 -0.001 0.000 0.274 449 S C -2.191 172.424 174.600 0.024 0.000 1.160 449 S CA -0.547 57.682 58.200 0.047 0.000 0.933 449 S CB 0.747 63.946 63.200 -0.002 0.000 1.100 449 S HN 0.533 nan 8.310 nan 0.000 0.468 450 Y N 3.468 123.765 120.300 -0.005 0.000 2.349 450 Y HA 0.338 4.887 4.550 -0.001 0.000 0.324 450 Y C -0.298 175.589 175.900 -0.021 0.000 1.005 450 Y CA -0.669 57.412 58.100 -0.032 0.000 1.240 450 Y CB 0.951 39.383 38.460 -0.047 0.000 1.117 450 Y HN 0.654 nan 8.280 nan 0.000 0.463 451 D N 6.000 126.109 120.400 -0.485 0.000 2.525 451 D HA 0.015 4.655 4.640 -0.001 0.000 0.235 451 D C -0.285 176.021 176.300 0.010 0.000 1.137 451 D CA 1.012 54.872 54.000 -0.233 0.000 0.868 451 D CB 1.470 42.066 40.800 -0.341 0.000 1.180 451 D HN 0.617 nan 8.370 nan 0.000 0.465 452 I N 1.259 121.858 120.570 0.049 0.000 2.468 452 I HA 0.095 4.265 4.170 -0.001 0.000 0.284 452 I C -0.955 175.206 176.117 0.073 0.000 1.038 452 I CA -0.805 60.553 61.300 0.096 0.000 1.083 452 I CB 1.179 39.255 38.000 0.127 0.000 1.223 452 I HN 0.058 nan 8.210 nan 0.000 0.443 453 D N 8.649 129.076 120.400 0.044 0.000 2.359 453 D HA 0.303 4.943 4.640 -0.001 0.000 0.250 453 D C -0.113 176.182 176.300 -0.008 0.000 1.264 453 D CA 0.135 54.146 54.000 0.017 0.000 0.911 453 D CB 1.532 42.335 40.800 0.006 0.000 1.056 453 D HN 0.584 nan 8.370 nan 0.000 0.499 454 A N 3.859 126.660 122.820 -0.032 0.000 2.304 454 A HA 0.589 4.909 4.320 -0.001 0.000 0.314 454 A C -0.073 177.415 177.584 -0.161 0.000 1.187 454 A CA -0.846 51.088 52.037 -0.172 0.000 0.810 454 A CB 1.086 19.828 19.000 -0.431 0.000 1.183 454 A HN 0.437 nan 8.150 nan 0.000 0.487 455 R N 2.539 122.959 120.500 -0.133 0.000 2.513 455 R HA 0.566 4.906 4.340 -0.001 0.000 0.301 455 R C -0.656 175.600 176.300 -0.073 0.000 0.968 455 R CA -0.451 55.600 56.100 -0.082 0.000 0.872 455 R CB 2.072 32.352 30.300 -0.034 0.000 1.177 455 R HN 0.837 nan 8.270 nan 0.000 0.444 456 M N 1.363 120.918 119.600 -0.074 0.000 2.101 456 M HA 0.698 5.177 4.480 -0.001 0.000 0.340 456 M C 0.107 176.374 176.300 -0.055 0.000 1.057 456 M CA -0.395 54.862 55.300 -0.073 0.000 0.984 456 M CB 1.267 33.804 32.600 -0.105 0.000 1.560 456 M HN 0.792 nan 8.290 nan 0.000 0.435 457 G N 2.489 111.279 108.800 -0.017 0.000 2.466 457 G HA2 0.016 3.976 3.960 -0.001 0.000 0.316 457 G HA3 0.016 3.976 3.960 -0.001 0.000 0.316 457 G C 0.253 175.146 174.900 -0.013 0.000 1.270 457 G CA -0.106 44.963 45.100 -0.051 0.000 0.982 457 G HN 1.061 nan 8.290 nan 0.000 0.506 458 A N -0.399 122.269 122.820 -0.252 0.000 2.076 458 A HA 0.021 4.340 4.320 -0.001 0.000 0.220 458 A C 2.074 179.631 177.584 -0.046 0.000 1.160 458 A CA 2.578 54.427 52.037 -0.312 0.000 0.653 458 A CB -0.581 18.100 19.000 -0.532 0.000 0.801 458 A HN 1.255 nan 8.150 nan 0.000 0.455 459 E N 0.438 120.603 120.200 -0.058 0.000 2.049 459 E HA -0.225 4.125 4.350 -0.001 0.000 0.198 459 E C 2.095 178.702 176.600 0.011 0.000 1.007 459 E CA 1.545 57.929 56.400 -0.027 0.000 0.809 459 E CB -0.421 29.256 29.700 -0.039 0.000 0.749 459 E HN 0.516 nan 8.360 nan 0.000 0.450 460 A N 1.399 124.239 122.820 0.034 0.000 1.859 460 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 460 A C 2.234 179.854 177.584 0.059 0.000 1.198 460 A CA 1.857 53.918 52.037 0.041 0.000 0.629 460 A CB -0.586 18.448 19.000 0.058 0.000 0.830 460 A HN 0.419 nan 8.150 nan 0.000 0.446 461 I N -0.265 120.384 120.570 0.133 0.000 2.617 461 I HA -0.159 4.010 4.170 -0.001 0.000 0.256 461 I C 2.495 178.663 176.117 0.084 0.000 1.167 461 I CA 1.392 62.764 61.300 0.119 0.000 1.469 461 I CB -1.436 36.687 38.000 0.205 0.000 1.098 461 I HN 0.562 nan 8.210 nan 0.000 0.436 462 Q N 0.488 120.339 119.800 0.085 0.000 2.096 462 Q HA -0.230 4.109 4.340 -0.001 0.000 0.204 462 Q C 2.241 178.238 176.000 -0.005 0.000 0.982 462 Q CA 1.605 57.428 55.803 0.033 0.000 0.850 462 Q CB 0.201 28.950 28.738 0.017 0.000 0.901 462 Q HN 0.456 nan 8.270 nan 0.000 0.422 463 Q N 0.085 119.883 119.800 -0.003 0.000 1.990 463 Q HA -0.115 4.225 4.340 -0.001 0.000 0.200 463 Q C 2.309 178.290 176.000 -0.030 0.000 0.980 463 Q CA 1.063 56.854 55.803 -0.019 0.000 0.832 463 Q CB -0.330 28.399 28.738 -0.014 0.000 0.897 463 Q HN 0.454 nan 8.270 nan 0.000 0.427 464 L N 0.733 121.943 121.223 -0.021 0.000 2.081 464 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 464 L C 2.503 179.342 176.870 -0.053 0.000 1.080 464 L CA 0.852 55.674 54.840 -0.031 0.000 0.754 464 L CB -0.423 41.623 42.059 -0.021 0.000 0.893 464 L HN 0.244 nan 8.230 nan 0.000 0.433 465 L N -0.452 120.735 121.223 -0.059 0.000 2.141 465 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 465 L C 2.514 179.296 176.870 -0.146 0.000 1.094 465 L CA 1.333 56.110 54.840 -0.105 0.000 0.763 465 L CB -0.059 41.940 42.059 -0.100 0.000 0.908 465 L HN 0.208 nan 8.230 nan 0.000 0.437 466 K N -0.488 119.839 120.400 -0.121 0.000 2.167 466 K HA -0.097 4.222 4.320 -0.001 0.000 0.203 466 K C 1.680 178.213 176.600 -0.111 0.000 1.052 466 K CA 0.714 56.919 56.287 -0.137 0.000 0.956 466 K CB 0.194 32.630 32.500 -0.106 0.000 0.735 466 K HN 0.255 nan 8.250 nan 0.000 0.451 467 E N 0.355 120.506 120.200 -0.082 0.000 2.511 467 E HA -0.012 4.337 4.350 -0.001 0.000 0.196 467 E C -0.366 176.194 176.600 -0.067 0.000 1.066 467 E CA 0.225 56.586 56.400 -0.064 0.000 0.871 467 E CB 0.227 29.899 29.700 -0.046 0.000 0.863 467 E HN 0.243 nan 8.360 nan 0.000 0.520 468 L N 1.281 122.451 121.223 -0.087 0.000 2.264 468 L HA 0.212 4.552 4.340 -0.001 0.000 0.289 468 L C -0.130 176.688 176.870 -0.086 0.000 1.044 468 L CA -0.433 54.359 54.840 -0.080 0.000 0.807 468 L CB 1.149 43.156 42.059 -0.087 0.000 1.192 468 L HN -0.139 nan 8.230 nan 0.000 0.425 469 D N 3.432 123.796 120.400 -0.061 0.000 2.494 469 D HA 0.225 4.865 4.640 -0.001 0.000 0.217 469 D C 1.444 177.720 176.300 -0.041 0.000 1.153 469 D CA -0.397 53.571 54.000 -0.053 0.000 0.954 469 D CB 0.542 41.319 40.800 -0.038 0.000 1.034 469 D HN 0.414 nan 8.370 nan 0.000 0.518 470 L N 2.359 123.553 121.223 -0.050 0.000 2.082 470 L HA -0.309 4.030 4.340 -0.001 0.000 0.223 470 L C 2.087 178.956 176.870 -0.002 0.000 1.086 470 L CA 1.300 56.125 54.840 -0.025 0.000 0.793 470 L CB -0.944 41.101 42.059 -0.024 0.000 0.896 470 L HN 0.469 nan 8.230 nan 0.000 0.441 471 E N 0.943 121.141 120.200 -0.003 0.000 2.086 471 E HA -0.284 4.065 4.350 -0.001 0.000 0.200 471 E C 2.364 178.965 176.600 0.002 0.000 1.012 471 E CA 1.656 58.059 56.400 0.005 0.000 0.812 471 E CB -0.380 29.321 29.700 0.001 0.000 0.743 471 E HN 0.629 nan 8.360 nan 0.000 0.453 472 A N 1.331 124.146 122.820 -0.007 0.000 1.883 472 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 472 A C 2.278 179.857 177.584 -0.009 0.000 1.186 472 A CA 1.358 53.389 52.037 -0.010 0.000 0.624 472 A CB -0.560 18.431 19.000 -0.015 0.000 0.822 472 A HN 0.129 nan 8.150 nan 0.000 0.444 473 L N 0.025 121.243 121.223 -0.008 0.000 2.291 473 L HA -0.094 4.245 4.340 -0.001 0.000 0.214 473 L C 2.393 179.266 176.870 0.006 0.000 1.120 473 L CA 1.748 56.586 54.840 -0.004 0.000 0.799 473 L CB -0.529 41.529 42.059 -0.003 0.000 0.925 473 L HN 0.618 nan 8.230 nan 0.000 0.446 474 E N 0.519 120.726 120.200 0.013 0.000 2.017 474 E HA -0.265 4.084 4.350 -0.001 0.000 0.193 474 E C 2.010 178.617 176.600 0.012 0.000 0.997 474 E CA 1.484 57.897 56.400 0.022 0.000 0.804 474 E CB 0.054 29.771 29.700 0.029 0.000 0.757 474 E HN 0.443 nan 8.360 nan 0.000 0.448 475 K N 0.519 120.923 120.400 0.005 0.000 2.001 475 K HA -0.241 4.079 4.320 -0.001 0.000 0.214 475 K C 2.371 178.957 176.600 -0.023 0.000 1.050 475 K CA 1.917 58.202 56.287 -0.004 0.000 0.934 475 K CB -0.364 32.133 32.500 -0.005 0.000 0.718 475 K HN 0.244 nan 8.250 nan 0.000 0.443 476 E N 1.110 121.294 120.200 -0.025 0.000 2.108 476 E HA -0.258 4.092 4.350 -0.001 0.000 0.203 476 E C 2.003 178.575 176.600 -0.048 0.000 1.022 476 E CA 1.559 57.935 56.400 -0.040 0.000 0.823 476 E CB -0.131 29.553 29.700 -0.027 0.000 0.744 476 E HN 0.227 nan 8.360 nan 0.000 0.456 477 L N 0.339 121.548 121.223 -0.023 0.000 2.017 477 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 477 L C 2.649 179.506 176.870 -0.021 0.000 1.073 477 L CA 0.976 55.807 54.840 -0.014 0.000 0.745 477 L CB -0.510 41.555 42.059 0.010 0.000 0.894 477 L HN 0.271 nan 8.230 nan 0.000 0.432 478 L N -0.389 120.826 121.223 -0.013 0.000 1.997 478 L HA -0.284 4.056 4.340 -0.001 0.000 0.216 478 L C 2.634 179.476 176.870 -0.047 0.000 1.074 478 L CA 1.668 56.508 54.840 0.001 0.000 0.763 478 L CB -0.808 41.260 42.059 0.015 0.000 0.890 478 L HN 0.359 nan 8.230 nan 0.000 0.434 479 E N -0.112 119.987 120.200 -0.170 0.000 2.028 479 E HA -0.258 4.091 4.350 -0.001 0.000 0.191 479 E C 2.107 178.418 176.600 -0.482 0.000 0.988 479 E CA 1.226 57.305 56.400 -0.535 0.000 0.799 479 E CB -0.147 29.297 29.700 -0.427 0.000 0.755 479 E HN 0.349 nan 8.360 nan 0.000 0.447 480 E N 0.661 120.738 120.200 -0.205 0.000 2.160 480 E HA -0.170 4.180 4.350 -0.001 0.000 0.195 480 E C 1.841 178.432 176.600 -0.015 0.000 0.991 480 E CA 0.974 57.317 56.400 -0.096 0.000 0.810 480 E CB -0.001 29.669 29.700 -0.050 0.000 0.742 480 E HN 0.101 nan 8.360 nan 0.000 0.466 481 M N -0.290 119.316 119.600 0.010 0.000 2.193 481 M HA 0.001 4.480 4.480 -0.001 0.000 0.265 481 M C 1.631 178.001 176.300 0.118 0.000 1.071 481 M CA 1.342 56.677 55.300 0.058 0.000 1.140 481 M CB -0.088 32.543 32.600 0.052 0.000 1.369 481 M HN -0.022 nan 8.290 nan 0.000 0.423 482 K N -1.428 119.113 120.400 0.236 0.000 2.393 482 K HA -0.039 4.281 4.320 -0.001 0.000 0.193 482 K C 1.267 178.024 176.600 0.260 0.000 1.026 482 K CA 0.364 56.797 56.287 0.242 0.000 1.064 482 K CB 0.419 33.039 32.500 0.201 0.000 0.833 482 K HN 0.350 nan 8.250 nan 0.000 0.521 483 H N -0.376 118.699 119.070 0.008 0.000 2.332 483 H HA 0.157 4.712 4.556 -0.001 0.000 0.316 483 H C -1.496 173.834 175.328 0.005 0.000 1.069 483 H CA -0.216 55.836 56.048 0.006 0.000 1.484 483 H CB -1.666 28.100 29.762 0.006 0.000 1.496 483 H HN 0.006 nan 8.280 nan 0.000 0.623 484 P HA 0.033 nan 4.420 nan 0.000 0.278 484 P C 0.486 177.816 177.300 0.051 0.000 1.270 484 P CA 0.070 63.213 63.100 0.072 0.000 0.800 484 P CB 0.490 32.218 31.700 0.048 0.000 1.142 485 S N -0.909 114.811 115.700 0.033 0.000 2.606 485 S HA 0.085 4.555 4.470 -0.001 0.000 0.257 485 S C 1.495 176.109 174.600 0.023 0.000 1.327 485 S CA -0.349 57.865 58.200 0.023 0.000 0.984 485 S CB 0.084 63.294 63.200 0.016 0.000 0.941 485 S HN 0.247 nan 8.310 nan 0.000 0.576 486 R N 0.348 120.858 120.500 0.018 0.000 2.193 486 R HA -0.093 4.246 4.340 -0.001 0.000 0.229 486 R C 2.247 178.556 176.300 0.016 0.000 1.110 486 R CA 1.086 57.197 56.100 0.017 0.000 0.988 486 R CB -0.504 29.804 30.300 0.013 0.000 0.871 486 R HN 0.653 nan 8.270 nan 0.000 0.458 487 A N 2.030 124.858 122.820 0.013 0.000 1.841 487 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 487 A C 2.060 179.651 177.584 0.012 0.000 1.199 487 A CA 1.705 53.748 52.037 0.010 0.000 0.621 487 A CB -0.439 18.566 19.000 0.008 0.000 0.835 487 A HN 0.347 nan 8.150 nan 0.000 0.445 488 R N 0.184 120.691 120.500 0.013 0.000 2.200 488 R HA -0.030 4.309 4.340 -0.001 0.000 0.208 488 R C 2.077 178.386 176.300 0.015 0.000 1.033 488 R CA 1.058 57.165 56.100 0.012 0.000 1.000 488 R CB -0.454 29.851 30.300 0.009 0.000 0.906 488 R HN 0.703 nan 8.270 nan 0.000 0.462 489 R N 1.011 121.524 120.500 0.022 0.000 2.090 489 R HA 0.099 4.438 4.340 -0.001 0.000 0.228 489 R C 2.126 178.443 176.300 0.027 0.000 1.110 489 R CA 1.151 57.268 56.100 0.028 0.000 0.973 489 R CB -0.433 29.891 30.300 0.040 0.000 0.869 489 R HN 0.155 nan 8.270 nan 0.000 0.440 490 A N 2.248 125.083 122.820 0.024 0.000 1.858 490 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 490 A C 2.192 179.790 177.584 0.023 0.000 1.190 490 A CA 1.858 53.909 52.037 0.023 0.000 0.617 490 A CB -0.497 18.514 19.000 0.019 0.000 0.827 490 A HN 0.357 nan 8.150 nan 0.000 0.443 491 K N 0.532 120.943 120.400 0.018 0.000 2.103 491 K HA -0.050 4.270 4.320 -0.001 0.000 0.207 491 K C 1.765 178.378 176.600 0.020 0.000 1.048 491 K CA 1.951 58.248 56.287 0.017 0.000 0.930 491 K CB -0.628 31.879 32.500 0.012 0.000 0.716 491 K HN 0.337 nan 8.250 nan 0.000 0.444 492 A N 0.594 123.426 122.820 0.020 0.000 2.066 492 A HA -0.048 4.271 4.320 -0.001 0.000 0.218 492 A C 2.013 179.614 177.584 0.030 0.000 1.157 492 A CA 1.387 53.437 52.037 0.021 0.000 0.670 492 A CB -0.517 18.491 19.000 0.014 0.000 0.804 492 A HN 0.480 nan 8.150 nan 0.000 0.453 493 R N 0.789 121.309 120.500 0.033 0.000 2.062 493 R HA -0.046 4.293 4.340 -0.001 0.000 0.231 493 R C 1.939 178.265 176.300 0.043 0.000 1.136 493 R CA 2.239 58.363 56.100 0.040 0.000 0.948 493 R CB -0.732 29.592 30.300 0.041 0.000 0.845 493 R HN 0.354 nan 8.270 nan 0.000 0.430 494 K N 0.008 120.431 120.400 0.038 0.000 2.152 494 K HA -0.160 4.159 4.320 -0.001 0.000 0.206 494 K C 2.246 178.872 176.600 0.044 0.000 1.048 494 K CA 1.688 57.999 56.287 0.039 0.000 0.933 494 K CB -0.092 32.427 32.500 0.031 0.000 0.721 494 K HN 0.245 nan 8.250 nan 0.000 0.447 495 R N 0.587 121.112 120.500 0.042 0.000 2.236 495 R HA -0.046 4.293 4.340 -0.001 0.000 0.208 495 R C 2.146 178.481 176.300 0.057 0.000 1.036 495 R CA 0.637 56.766 56.100 0.048 0.000 1.001 495 R CB -0.053 30.269 30.300 0.037 0.000 0.896 495 R HN 0.270 nan 8.270 nan 0.000 0.464 496 L N -0.021 121.234 121.223 0.053 0.000 2.209 496 L HA 0.101 4.440 4.340 -0.001 0.000 0.207 496 L C 1.414 178.322 176.870 0.065 0.000 1.094 496 L CA 1.466 56.340 54.840 0.057 0.000 0.790 496 L CB -0.102 41.988 42.059 0.051 0.000 0.932 496 L HN 0.101 nan 8.230 nan 0.000 0.447 497 E N 0.041 120.276 120.200 0.059 0.000 2.072 497 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 497 E C 2.203 178.828 176.600 0.041 0.000 0.985 497 E CA 1.516 57.946 56.400 0.051 0.000 0.801 497 E CB -0.358 29.369 29.700 0.046 0.000 0.750 497 E HN 0.455 nan 8.360 nan 0.000 0.452 498 V N 1.634 121.581 119.914 0.055 0.000 2.219 498 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 498 V C 2.549 178.742 176.094 0.165 0.000 1.053 498 V CA 1.868 64.210 62.300 0.070 0.000 1.009 498 V CB -0.744 31.166 31.823 0.145 0.000 0.636 498 V HN 0.111 nan 8.190 nan 0.000 0.445 499 V N -0.121 119.921 119.914 0.213 0.000 2.282 499 V HA -0.288 3.831 4.120 -0.001 0.000 0.249 499 V C 2.678 178.889 176.094 0.194 0.000 1.057 499 V CA 2.034 64.481 62.300 0.245 0.000 1.032 499 V CB -0.967 30.936 31.823 0.134 0.000 0.645 499 V HN 0.423 nan 8.190 nan 0.000 0.447 500 R N 0.507 121.075 120.500 0.113 0.000 2.103 500 R HA -0.183 4.156 4.340 -0.001 0.000 0.234 500 R C 2.535 178.875 176.300 0.068 0.000 1.132 500 R CA 1.966 58.115 56.100 0.082 0.000 0.925 500 R CB -1.498 28.838 30.300 0.060 0.000 0.842 500 R HN 0.533 nan 8.270 nan 0.000 0.430 501 A N 0.685 123.506 122.820 0.003 0.000 1.940 501 A HA -0.225 4.094 4.320 -0.001 0.000 0.221 501 A C 2.317 179.859 177.584 -0.070 0.000 1.190 501 A CA 1.825 53.813 52.037 -0.082 0.000 0.647 501 A CB -0.927 17.946 19.000 -0.212 0.000 0.821 501 A HN 0.303 nan 8.150 nan 0.000 0.457 502 F N -0.415 119.563 119.950 0.046 0.000 2.031 502 F HA -0.172 4.354 4.527 -0.001 0.000 0.295 502 F C 2.319 178.135 175.800 0.027 0.000 1.133 502 F CA 1.640 59.663 58.000 0.038 0.000 1.188 502 F CB -0.467 38.544 39.000 0.019 0.000 0.974 502 F HN 0.112 nan 8.300 nan 0.000 0.473 503 L N -0.329 121.043 121.223 0.249 0.000 2.013 503 L HA -0.284 4.055 4.340 -0.001 0.000 0.212 503 L C 2.293 179.223 176.870 0.100 0.000 1.073 503 L CA 1.520 56.441 54.840 0.135 0.000 0.753 503 L CB -0.747 41.371 42.059 0.098 0.000 0.890 503 L HN 0.220 nan 8.230 nan 0.000 0.432 504 D N 0.093 120.545 120.400 0.086 0.000 2.108 504 D HA -0.180 4.459 4.640 -0.001 0.000 0.190 504 D C 2.136 178.471 176.300 0.059 0.000 0.995 504 D CA 2.154 56.190 54.000 0.060 0.000 0.834 504 D CB 0.052 40.879 40.800 0.046 0.000 0.967 504 D HN 0.260 nan 8.370 nan 0.000 0.446 505 S N -0.680 115.055 115.700 0.058 0.000 2.423 505 S HA 0.228 4.697 4.470 -0.001 0.000 0.231 505 S C 1.653 176.303 174.600 0.083 0.000 1.014 505 S CA 1.121 59.357 58.200 0.060 0.000 0.965 505 S CB 0.380 63.607 63.200 0.045 0.000 0.785 505 S HN 0.693 nan 8.310 nan 0.000 0.495 506 G N 2.210 111.075 108.800 0.107 0.000 2.134 506 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.225 506 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.225 506 G C -0.757 174.244 174.900 0.167 0.000 1.944 506 G CA -0.453 44.717 45.100 0.117 0.000 1.512 506 G HN 0.303 nan 8.290 nan 0.000 0.493 507 N N 2.469 121.285 118.700 0.194 0.000 1.661 507 N HA -0.088 4.651 4.740 -0.001 0.000 0.331 507 N C 0.655 176.350 175.510 0.308 0.000 1.293 507 N CA 0.909 54.129 53.050 0.282 0.000 0.828 507 N CB 0.058 38.714 38.487 0.282 0.000 1.096 507 N HN 0.453 nan 8.380 nan 0.000 0.505 508 R N 3.276 123.846 120.500 0.115 0.000 2.641 508 R HA 0.072 4.411 4.340 -0.001 0.000 0.269 508 R C -1.074 174.918 176.300 -0.515 0.000 1.074 508 R CA -1.148 54.827 56.100 -0.209 0.000 1.133 508 R CB 0.428 30.502 30.300 -0.376 0.000 1.029 508 R HN 0.406 nan 8.270 nan 0.000 0.488 509 P HA -0.031 nan 4.420 nan 0.000 0.242 509 P C -0.224 176.667 177.300 -0.682 0.000 1.197 509 P CA 0.876 63.303 63.100 -1.123 0.000 0.765 509 P CB 0.239 30.796 31.700 -1.906 0.000 0.936 510 E N -0.732 118.977 120.200 -0.819 0.000 2.418 510 E HA -0.100 4.249 4.350 -0.001 0.000 0.197 510 E C 1.006 177.395 176.600 -0.352 0.000 1.026 510 E CA 0.641 56.675 56.400 -0.609 0.000 0.862 510 E CB -0.427 28.845 29.700 -0.713 0.000 0.799 510 E HN 0.528 nan 8.360 nan 0.000 0.518 511 W N 0.148 121.364 121.300 -0.140 0.000 3.180 511 W HA 0.185 4.844 4.660 -0.001 0.000 0.254 511 W C 1.902 178.303 176.519 -0.197 0.000 1.318 511 W CA -0.526 56.732 57.345 -0.145 0.000 1.608 511 W CB -0.062 29.313 29.460 -0.143 0.000 1.124 511 W HN 0.030 nan 8.180 nan 0.000 0.694 512 M N 0.424 119.999 119.600 -0.042 0.000 2.358 512 M HA -0.075 4.405 4.480 -0.001 0.000 0.264 512 M C 0.319 176.652 176.300 0.055 0.000 1.064 512 M CA 1.320 56.559 55.300 -0.101 0.000 1.093 512 M CB -0.204 32.411 32.600 0.025 0.000 1.401 512 M HN -0.110 nan 8.290 nan 0.000 0.440 513 I N 0.173 120.793 120.570 0.083 0.000 2.396 513 I HA 0.193 4.363 4.170 -0.001 0.000 0.292 513 I C -0.501 175.660 176.117 0.072 0.000 0.999 513 I CA -0.277 61.084 61.300 0.101 0.000 1.310 513 I CB 0.768 38.818 38.000 0.082 0.000 1.404 513 I HN -0.045 nan 8.210 nan 0.000 0.496 514 L N 5.828 127.080 121.223 0.048 0.000 2.272 514 L HA 0.346 4.685 4.340 -0.001 0.000 0.289 514 L C 0.972 177.843 176.870 0.002 0.000 1.032 514 L CA 0.094 54.960 54.840 0.043 0.000 0.810 514 L CB 0.965 43.069 42.059 0.074 0.000 1.205 514 L HN 0.837 nan 8.230 nan 0.000 0.422 515 E N 2.731 122.937 120.200 0.010 0.000 2.572 515 E HA 0.298 4.648 4.350 -0.001 0.000 0.220 515 E C -0.068 176.530 176.600 -0.002 0.000 0.945 515 E CA -0.222 56.174 56.400 -0.007 0.000 1.070 515 E CB 1.078 30.779 29.700 0.002 0.000 1.090 515 E HN 0.445 nan 8.360 nan 0.000 0.506 516 A N 1.420 124.248 122.820 0.013 0.000 2.411 516 A HA 0.509 4.829 4.320 -0.001 0.000 0.285 516 A C -0.858 176.752 177.584 0.044 0.000 1.129 516 A CA -0.601 51.457 52.037 0.035 0.000 0.736 516 A CB 1.668 20.700 19.000 0.053 0.000 1.186 516 A HN 0.060 nan 8.150 nan 0.000 0.445 517 V N 4.676 124.597 119.914 0.012 0.000 2.348 517 V HA 0.299 4.418 4.120 -0.001 0.000 0.270 517 V C -2.310 173.793 176.094 0.015 0.000 1.037 517 V CA -1.535 60.772 62.300 0.010 0.000 0.872 517 V CB 1.029 32.825 31.823 -0.046 0.000 1.002 517 V HN 0.737 nan 8.190 nan 0.000 0.464 518 P HA 0.166 nan 4.420 nan 0.000 0.271 518 P C -0.539 176.791 177.300 0.051 0.000 1.220 518 P CA -0.001 63.173 63.100 0.122 0.000 0.768 518 P CB 0.645 32.454 31.700 0.182 0.000 0.848 519 V N 4.178 124.121 119.914 0.048 0.000 2.439 519 V HA 0.233 4.353 4.120 -0.001 0.000 0.282 519 V C 0.538 176.767 176.094 0.224 0.000 1.039 519 V CA -0.912 61.393 62.300 0.008 0.000 0.913 519 V CB 0.963 32.800 31.823 0.023 0.000 0.983 519 V HN 0.387 nan 8.190 nan 0.000 0.460 520 L N 7.802 129.243 121.223 0.364 0.000 2.452 520 L HA 0.440 4.780 4.340 -0.001 0.000 0.267 520 L C -1.906 174.995 176.870 0.051 0.000 1.188 520 L CA -0.919 54.022 54.840 0.168 0.000 0.821 520 L CB 0.333 42.436 42.059 0.074 0.000 1.102 520 L HN 0.483 nan 8.230 nan 0.000 0.470 521 P HA 0.030 nan 4.420 nan 0.000 0.269 521 P C -2.459 174.578 177.300 -0.439 0.000 1.211 521 P CA -0.875 62.150 63.100 -0.125 0.000 0.781 521 P CB -0.139 31.545 31.700 -0.027 0.000 0.877 522 P HA -0.163 nan 4.420 nan 0.000 0.214 522 P C 1.192 178.104 177.300 -0.647 0.000 1.162 522 P CA 1.304 63.751 63.100 -1.088 0.000 0.871 522 P CB 0.058 30.890 31.700 -1.445 0.000 0.783 523 D N -0.455 119.797 120.400 -0.246 0.000 2.190 523 D HA -0.126 4.513 4.640 -0.001 0.000 0.200 523 D C 2.058 178.330 176.300 -0.046 0.000 0.992 523 D CA 0.807 54.803 54.000 -0.006 0.000 0.854 523 D CB -0.445 40.385 40.800 0.049 0.000 0.936 523 D HN -0.008 nan 8.370 nan 0.000 0.462 524 L N 0.879 122.038 121.223 -0.106 0.000 1.989 524 L HA -0.138 4.201 4.340 -0.001 0.000 0.211 524 L C 1.487 178.294 176.870 -0.105 0.000 1.071 524 L CA 1.297 56.085 54.840 -0.087 0.000 0.749 524 L CB -0.444 41.556 42.059 -0.097 0.000 0.890 524 L HN 0.079 nan 8.230 nan 0.000 0.431 525 R N 0.130 120.526 120.500 -0.173 0.000 3.570 525 R HA 0.285 4.624 4.340 -0.001 0.000 0.233 525 R C -2.626 173.627 176.300 -0.079 0.000 1.492 525 R CA -2.013 53.996 56.100 -0.151 0.000 1.504 525 R CB -1.082 29.079 30.300 -0.232 0.000 1.314 525 R HN 0.094 nan 8.270 nan 0.000 0.687 526 P HA -0.164 nan 4.420 nan 0.000 0.260 526 P C -0.452 176.953 177.300 0.175 0.000 1.147 526 P CA 0.505 63.676 63.100 0.118 0.000 0.758 526 P CB 0.281 32.022 31.700 0.069 0.000 0.744 527 M N 5.360 125.140 119.600 0.300 0.000 2.268 527 M HA 0.290 4.769 4.480 -0.001 0.000 0.340 527 M C -1.537 174.899 176.300 0.227 0.000 1.099 527 M CA -0.362 55.103 55.300 0.274 0.000 1.053 527 M CB 0.228 33.019 32.600 0.318 0.000 1.284 527 M HN -0.063 nan 8.290 nan 0.000 0.410 528 V N 2.549 122.594 119.914 0.219 0.000 2.769 528 V HA 0.459 4.578 4.120 -0.001 0.000 0.312 528 V C -0.111 175.983 176.094 0.001 0.000 1.058 528 V CA -0.878 61.499 62.300 0.129 0.000 0.952 528 V CB 1.908 33.756 31.823 0.041 0.000 1.019 528 V HN 0.581 nan 8.190 nan 0.000 0.445 529 Q N 1.949 121.600 119.800 -0.248 0.000 2.307 529 Q HA 0.285 4.625 4.340 -0.001 0.000 0.259 529 Q C -0.212 175.501 176.000 -0.479 0.000 0.998 529 Q CA 0.081 55.369 55.803 -0.858 0.000 0.923 529 Q CB 1.468 29.868 28.738 -0.564 0.000 1.196 529 Q HN 0.651 nan 8.270 nan 0.000 0.416 530 V N 3.444 123.066 119.914 -0.487 0.000 2.504 530 V HA 0.149 4.268 4.120 -0.001 0.000 0.215 530 V C 0.089 176.061 176.094 -0.203 0.000 1.123 530 V CA 0.714 62.866 62.300 -0.246 0.000 1.143 530 V CB 0.129 31.851 31.823 -0.168 0.000 0.743 530 V HN 0.693 nan 8.190 nan 0.000 0.494 531 D N -1.514 118.785 120.400 -0.169 0.000 2.934 531 D HA 0.512 5.151 4.640 -0.001 0.000 0.230 531 D C 0.631 176.878 176.300 -0.088 0.000 1.204 531 D CA 0.559 54.493 54.000 -0.111 0.000 0.873 531 D CB 1.629 42.386 40.800 -0.070 0.000 1.645 531 D HN 0.559 nan 8.370 nan 0.000 0.502 532 G N 1.294 110.053 108.800 -0.067 0.000 2.270 532 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.268 532 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.268 532 G C 0.964 175.852 174.900 -0.021 0.000 0.982 532 G CA 0.894 45.974 45.100 -0.034 0.000 0.628 532 G HN 1.443 nan 8.290 nan 0.000 0.544 533 G N -1.534 107.227 108.800 -0.065 0.000 2.370 533 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.174 533 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.174 533 G C 0.195 175.101 174.900 0.010 0.000 1.002 533 G CA 0.424 45.525 45.100 0.003 0.000 0.730 533 G HN 0.831 nan 8.290 nan 0.000 0.497 534 R N -0.226 120.219 120.500 -0.091 0.000 2.537 534 R HA 0.539 4.878 4.340 -0.001 0.000 0.280 534 R C -0.828 175.354 176.300 -0.197 0.000 1.058 534 R CA 0.325 56.399 56.100 -0.043 0.000 1.057 534 R CB 0.324 30.592 30.300 -0.054 0.000 0.973 534 R HN 0.105 nan 8.270 nan 0.000 0.438 535 F N 0.849 120.804 119.950 0.008 0.000 2.507 535 F HA 0.476 5.002 4.527 -0.001 0.000 0.325 535 F C 0.039 175.845 175.800 0.009 0.000 1.116 535 F CA -0.671 57.334 58.000 0.008 0.000 0.930 535 F CB 2.036 41.041 39.000 0.009 0.000 1.146 535 F HN 0.519 nan 8.300 nan 0.000 0.447 536 A N 2.457 125.359 122.820 0.136 0.000 2.304 536 A HA 0.744 5.063 4.320 -0.001 0.000 0.323 536 A C -0.469 177.183 177.584 0.113 0.000 1.195 536 A CA -0.480 51.611 52.037 0.091 0.000 0.826 536 A CB 1.308 20.326 19.000 0.030 0.000 1.184 536 A HN 0.642 nan 8.150 nan 0.000 0.496 537 T N 0.590 115.196 114.554 0.086 0.000 2.909 537 T HA 0.511 4.861 4.350 -0.001 0.000 0.299 537 T C -0.036 174.676 174.700 0.020 0.000 1.073 537 T CA -0.038 62.106 62.100 0.074 0.000 0.999 537 T CB 1.233 70.156 68.868 0.092 0.000 1.098 537 T HN 1.272 nan 8.240 nan 0.000 0.477 538 S N 2.900 118.593 115.700 -0.011 0.000 2.516 538 S HA 0.077 4.546 4.470 -0.001 0.000 0.282 538 S C 1.001 175.558 174.600 -0.072 0.000 1.286 538 S CA -0.131 58.038 58.200 -0.052 0.000 1.066 538 S CB 0.170 63.317 63.200 -0.089 0.000 0.884 538 S HN 0.688 nan 8.310 nan 0.000 0.491 539 D N 4.133 124.498 120.400 -0.059 0.000 2.280 539 D HA -0.138 4.501 4.640 -0.001 0.000 0.206 539 D C 1.650 177.889 176.300 -0.102 0.000 0.988 539 D CA 1.021 54.987 54.000 -0.057 0.000 0.886 539 D CB -0.234 40.543 40.800 -0.039 0.000 0.914 539 D HN 0.621 nan 8.370 nan 0.000 0.473 540 L N 0.705 121.824 121.223 -0.173 0.000 2.129 540 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 540 L C 2.110 178.765 176.870 -0.358 0.000 1.087 540 L CA 0.969 55.617 54.840 -0.320 0.000 0.757 540 L CB -0.325 41.456 42.059 -0.463 0.000 0.896 540 L HN 0.084 nan 8.230 nan 0.000 0.434 541 N N -0.054 118.509 118.700 -0.229 0.000 2.166 541 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 541 N C 1.315 176.821 175.510 -0.006 0.000 1.019 541 N CA 1.612 54.599 53.050 -0.106 0.000 0.856 541 N CB -0.354 38.096 38.487 -0.062 0.000 0.993 541 N HN 0.421 nan 8.380 nan 0.000 0.426 542 D N 1.492 121.880 120.400 -0.020 0.000 2.117 542 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 542 D C 2.262 178.584 176.300 0.037 0.000 0.987 542 D CA 0.702 54.709 54.000 0.011 0.000 0.829 542 D CB -0.596 40.204 40.800 0.000 0.000 0.961 542 D HN 0.330 nan 8.370 nan 0.000 0.460 543 L N -0.768 120.471 121.223 0.026 0.000 2.027 543 L HA -0.150 4.189 4.340 -0.001 0.000 0.206 543 L C 2.500 179.484 176.870 0.189 0.000 1.074 543 L CA 1.026 55.912 54.840 0.076 0.000 0.745 543 L CB -1.004 41.083 42.059 0.046 0.000 0.898 543 L HN -0.075 nan 8.230 nan 0.000 0.433 544 Y N 1.373 121.664 120.300 -0.015 0.000 2.151 544 Y HA -0.222 4.327 4.550 -0.001 0.000 0.284 544 Y C 2.908 178.803 175.900 -0.009 0.000 1.166 544 Y CA 1.124 59.215 58.100 -0.016 0.000 1.163 544 Y CB -0.701 37.739 38.460 -0.034 0.000 0.974 544 Y HN 0.127 nan 8.280 nan 0.000 0.511 545 R N -0.406 120.191 120.500 0.162 0.000 2.080 545 R HA -0.179 4.160 4.340 -0.001 0.000 0.236 545 R C 2.400 178.733 176.300 0.056 0.000 1.137 545 R CA 1.494 57.643 56.100 0.081 0.000 0.943 545 R CB -0.347 29.988 30.300 0.058 0.000 0.846 545 R HN 0.287 nan 8.270 nan 0.000 0.431 546 R N 0.525 121.062 120.500 0.062 0.000 2.143 546 R HA -0.236 4.103 4.340 -0.001 0.000 0.239 546 R C 2.403 178.724 176.300 0.035 0.000 1.126 546 R CA 1.989 58.117 56.100 0.047 0.000 0.927 546 R CB -0.893 29.440 30.300 0.055 0.000 0.860 546 R HN 0.157 nan 8.270 nan 0.000 0.433 547 L N 1.231 122.480 121.223 0.044 0.000 1.989 547 L HA -0.205 4.134 4.340 -0.001 0.000 0.211 547 L C 2.191 179.049 176.870 -0.020 0.000 1.071 547 L CA 1.753 56.598 54.840 0.009 0.000 0.749 547 L CB -0.529 41.528 42.059 -0.002 0.000 0.890 547 L HN 0.151 nan 8.230 nan 0.000 0.431 548 I N 0.243 120.800 120.570 -0.023 0.000 2.091 548 I HA -0.365 3.805 4.170 -0.001 0.000 0.239 548 I C 2.334 178.438 176.117 -0.022 0.000 1.061 548 I CA 2.028 63.307 61.300 -0.035 0.000 1.317 548 I CB -1.718 36.271 38.000 -0.019 0.000 1.031 548 I HN 0.487 nan 8.210 nan 0.000 0.401 549 N N 0.188 118.885 118.700 -0.006 0.000 2.043 549 N HA -0.243 4.496 4.740 -0.001 0.000 0.193 549 N C 2.007 177.511 175.510 -0.010 0.000 1.037 549 N CA 1.150 54.197 53.050 -0.005 0.000 0.851 549 N CB -0.154 38.335 38.487 0.003 0.000 1.027 549 N HN 0.170 nan 8.380 nan 0.000 0.422 550 R N 1.562 122.058 120.500 -0.007 0.000 2.096 550 R HA -0.131 4.209 4.340 -0.001 0.000 0.240 550 R C 1.824 178.110 176.300 -0.023 0.000 1.139 550 R CA 1.563 57.656 56.100 -0.011 0.000 0.952 550 R CB -0.664 29.632 30.300 -0.008 0.000 0.854 550 R HN 0.223 nan 8.270 nan 0.000 0.436 551 N N -0.277 118.403 118.700 -0.032 0.000 2.104 551 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 551 N C 1.189 176.676 175.510 -0.038 0.000 1.024 551 N CA 1.964 54.989 53.050 -0.043 0.000 0.853 551 N CB -0.229 38.223 38.487 -0.058 0.000 1.008 551 N HN 0.300 nan 8.380 nan 0.000 0.424 552 N N -0.106 118.574 118.700 -0.033 0.000 2.062 552 N HA -0.098 4.642 4.740 -0.001 0.000 0.191 552 N C 1.628 177.125 175.510 -0.021 0.000 1.042 552 N CA 0.983 54.017 53.050 -0.028 0.000 0.845 552 N CB -0.221 38.252 38.487 -0.023 0.000 1.024 552 N HN 0.192 nan 8.380 nan 0.000 0.424 553 R N 0.592 121.082 120.500 -0.017 0.000 2.139 553 R HA -0.157 4.182 4.340 -0.001 0.000 0.243 553 R C 1.998 178.289 176.300 -0.015 0.000 1.145 553 R CA 1.075 57.167 56.100 -0.013 0.000 0.976 553 R CB -0.404 29.890 30.300 -0.009 0.000 0.866 553 R HN 0.255 nan 8.270 nan 0.000 0.449 554 L N 1.086 122.297 121.223 -0.020 0.000 2.005 554 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 554 L C 2.222 179.079 176.870 -0.022 0.000 1.072 554 L CA 1.743 56.569 54.840 -0.022 0.000 0.744 554 L CB -0.232 41.809 42.059 -0.030 0.000 0.895 554 L HN 0.067 nan 8.230 nan 0.000 0.433 555 K N -0.377 120.009 120.400 -0.024 0.000 2.059 555 K HA -0.310 4.010 4.320 -0.001 0.000 0.212 555 K C 2.240 178.830 176.600 -0.017 0.000 1.050 555 K CA 2.188 58.461 56.287 -0.022 0.000 0.927 555 K CB -0.268 32.217 32.500 -0.025 0.000 0.714 555 K HN 0.237 nan 8.250 nan 0.000 0.447 556 K N 1.021 121.412 120.400 -0.015 0.000 2.148 556 K HA -0.086 4.233 4.320 -0.001 0.000 0.204 556 K C 1.952 178.546 176.600 -0.010 0.000 1.050 556 K CA 0.904 57.184 56.287 -0.012 0.000 0.942 556 K CB 0.062 32.556 32.500 -0.010 0.000 0.724 556 K HN 0.110 nan 8.250 nan 0.000 0.446 557 L N 0.768 121.985 121.223 -0.010 0.000 2.395 557 L HA -0.076 4.263 4.340 -0.001 0.000 0.218 557 L C 2.134 178.999 176.870 -0.008 0.000 1.130 557 L CA 0.375 55.210 54.840 -0.008 0.000 0.826 557 L CB -0.060 41.994 42.059 -0.008 0.000 0.941 557 L HN 0.250 nan 8.230 nan 0.000 0.451 558 L N -0.869 120.348 121.223 -0.010 0.000 2.162 558 L HA -0.037 4.302 4.340 -0.001 0.000 0.205 558 L C 2.724 179.590 176.870 -0.007 0.000 1.086 558 L CA 0.821 55.656 54.840 -0.009 0.000 0.778 558 L CB -0.254 41.797 42.059 -0.013 0.000 0.928 558 L HN 0.196 nan 8.230 nan 0.000 0.446 559 A N -0.647 122.168 122.820 -0.008 0.000 1.872 559 A HA -0.199 4.120 4.320 -0.001 0.000 0.214 559 A C 2.100 179.681 177.584 -0.005 0.000 1.187 559 A CA 1.058 53.091 52.037 -0.007 0.000 0.614 559 A CB -0.386 18.609 19.000 -0.008 0.000 0.826 559 A HN 0.394 nan 8.150 nan 0.000 0.442 560 Q N -0.817 118.980 119.800 -0.005 0.000 1.998 560 Q HA 0.073 4.412 4.340 -0.001 0.000 0.209 560 Q C 0.919 176.918 176.000 -0.002 0.000 1.002 560 Q CA 1.208 57.009 55.803 -0.003 0.000 0.858 560 Q CB -0.242 28.494 28.738 -0.003 0.000 0.932 560 Q HN 0.689 nan 8.270 nan 0.000 0.416 561 G N -1.803 106.996 108.800 -0.001 0.000 2.442 561 G HA2 0.493 4.453 3.960 -0.001 0.000 0.296 561 G HA3 0.493 4.453 3.960 -0.001 0.000 0.296 561 G C -2.037 172.863 174.900 0.000 0.000 1.564 561 G CA -0.234 44.866 45.100 0.000 0.000 0.828 561 G HN 0.237 nan 8.290 nan 0.000 0.571 562 A N 2.086 124.907 122.820 0.002 0.000 2.586 562 A HA 0.789 5.108 4.320 -0.001 0.000 0.320 562 A C -2.399 175.188 177.584 0.005 0.000 1.281 562 A CA -1.303 50.735 52.037 0.002 0.000 0.775 562 A CB 0.853 19.854 19.000 0.001 0.000 1.122 562 A HN 0.484 nan 8.150 nan 0.000 0.470 563 P HA 0.163 nan 4.420 nan 0.000 0.281 563 P C 0.728 178.033 177.300 0.009 0.000 1.286 563 P CA -0.043 63.061 63.100 0.007 0.000 0.772 563 P CB 1.122 32.825 31.700 0.005 0.000 0.862 564 E N 2.259 122.468 120.200 0.014 0.000 2.170 564 E HA -0.263 4.086 4.350 -0.001 0.000 0.229 564 E C 1.798 178.409 176.600 0.017 0.000 1.074 564 E CA 1.914 58.326 56.400 0.020 0.000 0.930 564 E CB -0.516 29.202 29.700 0.030 0.000 0.806 564 E HN 0.515 nan 8.360 nan 0.000 0.478 565 I N 0.503 121.084 120.570 0.018 0.000 2.094 565 I HA -0.355 3.814 4.170 -0.001 0.000 0.236 565 I C 2.562 178.686 176.117 0.011 0.000 1.016 565 I CA 1.669 62.979 61.300 0.017 0.000 1.294 565 I CB -0.561 37.449 38.000 0.016 0.000 1.006 565 I HN 0.076 nan 8.210 nan 0.000 0.397 566 I N 0.328 120.903 120.570 0.008 0.000 2.454 566 I HA -0.233 3.936 4.170 -0.001 0.000 0.254 566 I C 2.281 178.398 176.117 0.000 0.000 1.156 566 I CA 1.535 62.838 61.300 0.005 0.000 1.433 566 I CB -0.472 37.530 38.000 0.004 0.000 1.082 566 I HN 0.204 nan 8.210 nan 0.000 0.432 567 I N -0.343 120.226 120.570 -0.000 0.000 2.202 567 I HA -0.254 3.916 4.170 -0.001 0.000 0.242 567 I C 2.683 178.792 176.117 -0.013 0.000 1.091 567 I CA 1.090 62.386 61.300 -0.007 0.000 1.368 567 I CB -0.456 37.541 38.000 -0.005 0.000 1.058 567 I HN 0.093 nan 8.210 nan 0.000 0.410 568 R N 1.692 122.185 120.500 -0.011 0.000 2.073 568 R HA -0.165 4.174 4.340 -0.001 0.000 0.234 568 R C 2.016 178.306 176.300 -0.017 0.000 1.134 568 R CA 1.796 57.882 56.100 -0.023 0.000 0.952 568 R CB -0.855 29.429 30.300 -0.026 0.000 0.850 568 R HN 0.234 nan 8.270 nan 0.000 0.433 569 N N 0.077 118.775 118.700 -0.004 0.000 2.089 569 N HA -0.222 4.517 4.740 -0.001 0.000 0.198 569 N C 1.403 176.916 175.510 0.005 0.000 1.017 569 N CA 2.084 55.137 53.050 0.006 0.000 0.880 569 N CB -0.178 38.315 38.487 0.010 0.000 1.042 569 N HN 0.299 nan 8.380 nan 0.000 0.446 570 E N 0.152 120.350 120.200 -0.004 0.000 2.028 570 E HA -0.002 4.348 4.350 -0.001 0.000 0.190 570 E C 1.719 178.306 176.600 -0.021 0.000 0.984 570 E CA 0.873 57.268 56.400 -0.008 0.000 0.800 570 E CB -0.002 29.691 29.700 -0.011 0.000 0.758 570 E HN 0.166 nan 8.360 nan 0.000 0.448 571 K N 0.706 121.084 120.400 -0.037 0.000 2.173 571 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 571 K C 2.042 178.595 176.600 -0.079 0.000 1.046 571 K CA 1.208 57.454 56.287 -0.067 0.000 0.929 571 K CB -0.308 32.145 32.500 -0.079 0.000 0.720 571 K HN 0.157 nan 8.250 nan 0.000 0.453 572 R N 0.375 120.853 120.500 -0.036 0.000 2.075 572 R HA -0.024 4.315 4.340 -0.001 0.000 0.230 572 R C 2.625 178.953 176.300 0.047 0.000 1.140 572 R CA 1.755 57.865 56.100 0.016 0.000 0.928 572 R CB -0.479 29.857 30.300 0.060 0.000 0.834 572 R HN 0.149 nan 8.270 nan 0.000 0.429 573 M N 0.551 120.175 119.600 0.040 0.000 2.108 573 M HA -0.215 4.265 4.480 -0.001 0.000 0.257 573 M C 2.330 178.648 176.300 0.030 0.000 1.071 573 M CA 1.421 56.749 55.300 0.047 0.000 1.093 573 M CB -0.466 32.151 32.600 0.028 0.000 1.345 573 M HN 0.138 nan 8.290 nan 0.000 0.403 574 L N 0.490 121.705 121.223 -0.012 0.000 1.976 574 L HA -0.225 4.114 4.340 -0.001 0.000 0.209 574 L C 2.447 179.280 176.870 -0.061 0.000 1.071 574 L CA 2.089 56.907 54.840 -0.037 0.000 0.746 574 L CB -0.995 41.025 42.059 -0.064 0.000 0.890 574 L HN 0.265 nan 8.230 nan 0.000 0.432 575 Q N -0.291 119.421 119.800 -0.146 0.000 2.029 575 Q HA -0.289 4.050 4.340 -0.001 0.000 0.209 575 Q C 2.267 178.232 176.000 -0.059 0.000 0.999 575 Q CA 2.373 58.000 55.803 -0.294 0.000 0.857 575 Q CB -0.544 27.734 28.738 -0.767 0.000 0.926 575 Q HN 0.575 nan 8.270 nan 0.000 0.415 576 E N -0.103 120.207 120.200 0.183 0.000 2.048 576 E HA -0.290 4.059 4.350 -0.001 0.000 0.202 576 E C 1.798 178.505 176.600 0.178 0.000 1.021 576 E CA 1.850 58.462 56.400 0.353 0.000 0.825 576 E CB -0.575 29.288 29.700 0.273 0.000 0.756 576 E HN 0.443 nan 8.360 nan 0.000 0.454 577 A N 0.736 123.617 122.820 0.101 0.000 1.917 577 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 577 A C 2.649 180.277 177.584 0.074 0.000 1.182 577 A CA 2.169 54.251 52.037 0.075 0.000 0.633 577 A CB -0.883 18.145 19.000 0.047 0.000 0.819 577 A HN 0.226 nan 8.150 nan 0.000 0.448 578 V N 0.869 120.810 119.914 0.045 0.000 2.568 578 V HA -0.267 3.852 4.120 -0.001 0.000 0.253 578 V C 1.950 178.087 176.094 0.072 0.000 1.072 578 V CA 2.115 64.437 62.300 0.037 0.000 1.084 578 V CB -0.909 30.904 31.823 -0.016 0.000 0.676 578 V HN 0.564 nan 8.190 nan 0.000 0.469 579 D N 0.809 121.280 120.400 0.119 0.000 2.103 579 D HA -0.091 4.549 4.640 -0.001 0.000 0.199 579 D C 2.340 178.711 176.300 0.118 0.000 0.978 579 D CA 1.467 55.558 54.000 0.151 0.000 0.829 579 D CB -0.166 40.778 40.800 0.241 0.000 0.981 579 D HN 0.444 nan 8.370 nan 0.000 0.464 580 A N 2.337 125.222 122.820 0.109 0.000 1.894 580 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 580 A C 2.492 180.122 177.584 0.076 0.000 1.237 580 A CA 2.469 54.557 52.037 0.085 0.000 0.660 580 A CB -1.325 17.722 19.000 0.079 0.000 0.835 580 A HN 0.392 nan 8.150 nan 0.000 0.461 581 L N -2.114 119.166 121.223 0.094 0.000 2.017 581 L HA -0.106 4.234 4.340 -0.001 0.000 0.208 581 L C 2.446 179.354 176.870 0.064 0.000 1.073 581 L CA 1.852 56.746 54.840 0.091 0.000 0.745 581 L CB -0.819 41.377 42.059 0.227 0.000 0.894 581 L HN 0.352 nan 8.230 nan 0.000 0.432 582 L N -0.537 120.724 121.223 0.064 0.000 1.988 582 L HA 0.033 4.372 4.340 -0.001 0.000 0.207 582 L C 0.537 177.478 176.870 0.119 0.000 1.071 582 L CA 1.195 56.057 54.840 0.036 0.000 0.744 582 L CB -0.416 41.611 42.059 -0.054 0.000 0.893 582 L HN 0.351 nan 8.230 nan 0.000 0.433 583 D N -0.879 119.604 120.400 0.138 0.000 2.855 583 D HA 0.226 4.865 4.640 -0.001 0.000 0.241 583 D C -1.442 174.919 176.300 0.103 0.000 1.277 583 D CA -0.420 53.669 54.000 0.148 0.000 0.918 583 D CB 1.249 42.163 40.800 0.191 0.000 1.462 583 D HN -0.152 nan 8.370 nan 0.000 0.559 584 N N 1.052 119.798 118.700 0.076 0.000 2.456 584 N HA 0.583 5.322 4.740 -0.001 0.000 0.288 584 N C 0.976 176.512 175.510 0.042 0.000 1.059 584 N CA 0.996 54.079 53.050 0.055 0.000 0.946 584 N CB 1.420 39.931 38.487 0.040 0.000 1.150 584 N HN 0.583 nan 8.380 nan 0.000 0.479 585 G N 2.476 111.294 108.800 0.031 0.000 2.254 585 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.225 585 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.225 585 G C 1.244 176.149 174.900 0.008 0.000 1.003 585 G CA 0.029 45.139 45.100 0.016 0.000 0.622 585 G HN 0.538 nan 8.290 nan 0.000 0.507 586 R N 0.279 120.790 120.500 0.018 0.000 2.120 586 R HA 0.025 4.365 4.340 -0.001 0.000 0.234 586 R C 1.371 177.661 176.300 -0.017 0.000 1.123 586 R CA 1.234 57.338 56.100 0.007 0.000 0.975 586 R CB -0.025 30.293 30.300 0.031 0.000 0.866 586 R HN 0.466 nan 8.270 nan 0.000 0.446 587 R N 0.091 120.578 120.500 -0.023 0.000 2.625 587 R HA 0.251 4.591 4.340 -0.001 0.000 0.286 587 R C -0.826 175.447 176.300 -0.046 0.000 1.406 587 R CA 0.298 56.353 56.100 -0.074 0.000 1.052 587 R CB 1.033 31.235 30.300 -0.164 0.000 1.203 587 R HN 0.284 nan 8.270 nan 0.000 0.502 588 G N 1.965 110.743 108.800 -0.037 0.000 2.916 588 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.533 588 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.533 588 G C -0.834 174.066 174.900 0.000 0.000 1.516 588 G CA -0.253 44.836 45.100 -0.018 0.000 0.944 588 G HN 0.847 nan 8.290 nan 0.000 0.555 589 A N 1.659 124.482 122.820 0.005 0.000 2.375 589 A HA 0.802 5.121 4.320 -0.001 0.000 0.291 589 A C -1.894 175.699 177.584 0.015 0.000 1.160 589 A CA -1.093 50.951 52.037 0.012 0.000 0.747 589 A CB 1.514 20.519 19.000 0.008 0.000 1.170 589 A HN 0.645 nan 8.150 nan 0.000 0.458 590 P HA 0.376 nan 4.420 nan 0.000 0.271 590 P C -0.532 176.778 177.300 0.016 0.000 1.218 590 P CA -0.018 63.095 63.100 0.022 0.000 0.780 590 P CB 1.068 32.785 31.700 0.029 0.000 0.901 591 V N -1.092 118.831 119.914 0.015 0.000 2.841 591 V HA 0.488 4.607 4.120 -0.001 0.000 0.310 591 V C -0.140 175.961 176.094 0.011 0.000 1.090 591 V CA -0.713 61.594 62.300 0.011 0.000 0.930 591 V CB 1.544 33.373 31.823 0.010 0.000 1.014 591 V HN 0.385 nan 8.190 nan 0.000 0.425 592 T N 3.895 118.454 114.554 0.009 0.000 2.940 592 T HA 0.148 4.498 4.350 -0.001 0.000 0.309 592 T C 0.437 175.142 174.700 0.009 0.000 1.056 592 T CA 0.344 62.450 62.100 0.009 0.000 1.137 592 T CB -0.236 68.636 68.868 0.008 0.000 0.976 592 T HN 0.917 nan 8.240 nan 0.000 0.547 593 N N 3.536 122.241 118.700 0.009 0.000 2.237 593 N HA 0.041 4.780 4.740 -0.001 0.000 0.245 593 N C -2.462 173.053 175.510 0.008 0.000 1.239 593 N CA -0.859 52.196 53.050 0.008 0.000 0.842 593 N CB -0.374 38.117 38.487 0.007 0.000 1.089 593 N HN 0.371 nan 8.380 nan 0.000 0.454 594 P HA -0.139 nan 4.420 nan 0.000 0.240 594 P C 0.524 177.829 177.300 0.008 0.000 1.079 594 P CA 1.111 64.216 63.100 0.007 0.000 0.839 594 P CB -0.266 31.438 31.700 0.007 0.000 0.750 595 G N 1.352 110.157 108.800 0.007 0.000 4.137 595 G HA2 0.062 4.021 3.960 -0.001 0.000 0.194 595 G HA3 0.062 4.021 3.960 -0.001 0.000 0.194 595 G C -0.349 174.556 174.900 0.007 0.000 0.891 595 G CA 0.326 45.431 45.100 0.008 0.000 0.946 595 G HN 0.626 nan 8.290 nan 0.000 0.332 596 S N 1.108 116.812 115.700 0.007 0.000 2.737 596 S HA 0.453 4.923 4.470 -0.001 0.000 0.269 596 S C -1.616 172.988 174.600 0.006 0.000 1.150 596 S CA -0.561 57.642 58.200 0.006 0.000 1.077 596 S CB 1.764 64.968 63.200 0.006 0.000 1.075 596 S HN -0.005 nan 8.310 nan 0.000 0.476 597 D N 2.900 123.303 120.400 0.005 0.000 2.848 597 D HA 0.072 4.712 4.640 -0.001 0.000 0.232 597 D C 0.434 176.737 176.300 0.005 0.000 1.107 597 D CA 0.274 54.277 54.000 0.006 0.000 1.020 597 D CB -0.055 40.748 40.800 0.005 0.000 1.148 597 D HN 0.595 nan 8.370 nan 0.000 0.453 598 R N 1.074 121.578 120.500 0.005 0.000 2.393 598 R HA 0.399 4.738 4.340 -0.001 0.000 0.310 598 R C -2.806 173.497 176.300 0.006 0.000 0.968 598 R CA -1.718 54.385 56.100 0.005 0.000 0.867 598 R CB 1.306 31.608 30.300 0.004 0.000 1.124 598 R HN -0.219 nan 8.270 nan 0.000 0.450 599 P HA 0.036 nan 4.420 nan 0.000 0.270 599 P C -0.921 176.382 177.300 0.005 0.000 1.242 599 P CA -0.177 62.928 63.100 0.008 0.000 0.768 599 P CB 0.465 32.171 31.700 0.010 0.000 0.820 600 L N 4.425 125.650 121.223 0.003 0.000 2.615 600 L HA 0.003 4.343 4.340 -0.001 0.000 0.271 600 L C 1.326 178.190 176.870 -0.009 0.000 1.183 600 L CA 0.729 55.566 54.840 -0.006 0.000 0.933 600 L CB -0.428 41.626 42.059 -0.008 0.000 1.199 600 L HN 0.243 nan 8.230 nan 0.000 0.487 601 R N 2.418 122.909 120.500 -0.015 0.000 2.770 601 R HA -0.015 4.324 4.340 -0.001 0.000 0.361 601 R C 0.478 176.764 176.300 -0.023 0.000 0.860 601 R CA 0.067 56.158 56.100 -0.014 0.000 1.071 601 R CB -0.080 30.208 30.300 -0.021 0.000 0.907 601 R HN 0.824 nan 8.270 nan 0.000 0.403 602 S N 2.374 118.074 115.700 0.000 0.000 2.632 602 S HA 0.123 4.592 4.470 -0.001 0.000 0.267 602 S C 1.629 176.234 174.600 0.009 0.000 1.276 602 S CA -0.916 57.288 58.200 0.006 0.000 0.998 602 S CB 0.960 64.184 63.200 0.041 0.000 0.953 602 S HN 0.546 nan 8.310 nan 0.000 0.547 603 L N 0.813 122.039 121.223 0.005 0.000 2.013 603 L HA -0.168 4.172 4.340 -0.001 0.000 0.212 603 L C 3.005 179.915 176.870 0.066 0.000 1.073 603 L CA 1.982 56.822 54.840 0.001 0.000 0.753 603 L CB -1.562 40.487 42.059 -0.016 0.000 0.890 603 L HN 0.819 nan 8.230 nan 0.000 0.432 604 T N -0.760 113.885 114.554 0.151 0.000 2.665 604 T HA -0.262 4.088 4.350 -0.001 0.000 0.268 604 T C 1.417 176.212 174.700 0.158 0.000 1.035 604 T CA 2.042 64.296 62.100 0.257 0.000 1.151 604 T CB -0.462 68.572 68.868 0.278 0.000 0.862 604 T HN 0.411 nan 8.240 nan 0.000 0.438 605 D N 0.390 120.848 120.400 0.096 0.000 2.123 605 D HA -0.030 4.609 4.640 -0.001 0.000 0.196 605 D C 1.882 178.210 176.300 0.047 0.000 0.992 605 D CA 0.635 54.673 54.000 0.064 0.000 0.833 605 D CB -0.233 40.590 40.800 0.038 0.000 0.954 605 D HN 0.290 nan 8.370 nan 0.000 0.455 606 I N 0.268 120.851 120.570 0.022 0.000 2.700 606 I HA -0.135 4.034 4.170 -0.001 0.000 0.261 606 I C 1.365 177.472 176.117 -0.016 0.000 1.219 606 I CA 0.788 62.083 61.300 -0.009 0.000 1.463 606 I CB 0.280 38.254 38.000 -0.043 0.000 1.092 606 I HN 0.128 nan 8.210 nan 0.000 0.452 607 L N -1.179 120.056 121.223 0.021 0.000 2.638 607 L HA 0.246 4.585 4.340 -0.001 0.000 0.232 607 L C 0.671 177.617 176.870 0.127 0.000 1.099 607 L CA 0.157 54.994 54.840 -0.005 0.000 0.883 607 L CB 0.412 42.484 42.059 0.022 0.000 1.136 607 L HN 0.081 nan 8.230 nan 0.000 0.492 608 S N -0.821 114.966 115.700 0.144 0.000 2.532 608 S HA 0.776 5.245 4.470 -0.001 0.000 0.301 608 S C -0.199 174.476 174.600 0.124 0.000 1.083 608 S CA 0.230 58.533 58.200 0.172 0.000 1.025 608 S CB 1.713 64.998 63.200 0.141 0.000 1.056 608 S HN 0.542 nan 8.310 nan 0.000 0.494 609 G N 2.769 111.646 108.800 0.130 0.000 2.440 609 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.684 609 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.684 609 G C 0.181 175.144 174.900 0.106 0.000 1.309 609 G CA -0.043 45.119 45.100 0.103 0.000 0.931 609 G HN 0.694 nan 8.290 nan 0.000 0.612 610 K N -0.141 120.314 120.400 0.091 0.000 2.009 610 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 610 K C 1.884 178.524 176.600 0.066 0.000 1.049 610 K CA 2.227 58.563 56.287 0.081 0.000 0.929 610 K CB -0.102 32.441 32.500 0.072 0.000 0.714 610 K HN 0.703 nan 8.250 nan 0.000 0.440 611 Q N -0.074 119.759 119.800 0.055 0.000 2.936 611 Q HA 0.299 4.638 4.340 -0.001 0.000 0.383 611 Q C -0.186 175.840 176.000 0.044 0.000 1.167 611 Q CA -0.637 55.192 55.803 0.043 0.000 1.038 611 Q CB 1.088 29.844 28.738 0.030 0.000 1.409 611 Q HN 0.217 nan 8.270 nan 0.000 0.448 612 G N 0.512 109.348 108.800 0.061 0.000 2.753 612 G HA2 0.301 4.260 3.960 -0.001 0.000 0.285 612 G HA3 0.301 4.260 3.960 -0.001 0.000 0.285 612 G C -0.067 174.860 174.900 0.045 0.000 1.344 612 G CA -0.907 44.230 45.100 0.061 0.000 1.050 612 G HN 0.303 nan 8.290 nan 0.000 0.532 613 R N -1.455 119.052 120.500 0.011 0.000 2.100 613 R HA 0.202 4.541 4.340 -0.001 0.000 0.220 613 R C 2.152 178.445 176.300 -0.012 0.000 1.091 613 R CA 0.793 56.864 56.100 -0.049 0.000 0.986 613 R CB -0.526 29.682 30.300 -0.154 0.000 0.888 613 R HN 0.427 nan 8.270 nan 0.000 0.444 614 F N 0.215 120.191 119.950 0.044 0.000 2.365 614 F HA 0.004 4.531 4.527 -0.001 0.000 0.300 614 F C 2.101 177.917 175.800 0.026 0.000 1.090 614 F CA 1.090 59.116 58.000 0.044 0.000 1.408 614 F CB -0.051 38.988 39.000 0.064 0.000 1.060 614 F HN -0.035 nan 8.300 nan 0.000 0.534 615 R N -0.585 120.045 120.500 0.216 0.000 2.173 615 R HA -0.091 4.248 4.340 -0.001 0.000 0.208 615 R C 2.168 178.518 176.300 0.082 0.000 1.035 615 R CA 0.492 56.669 56.100 0.128 0.000 1.004 615 R CB -0.095 30.269 30.300 0.106 0.000 0.917 615 R HN 0.147 nan 8.270 nan 0.000 0.462 616 Q N 0.871 120.713 119.800 0.070 0.000 2.096 616 Q HA -0.163 4.176 4.340 -0.001 0.000 0.204 616 Q C 1.032 177.054 176.000 0.036 0.000 0.982 616 Q CA 2.057 57.884 55.803 0.039 0.000 0.850 616 Q CB -0.083 28.666 28.738 0.018 0.000 0.901 616 Q HN 0.225 nan 8.270 nan 0.000 0.422 617 N N -0.194 118.538 118.700 0.053 0.000 2.173 617 N HA -0.042 4.698 4.740 -0.001 0.000 0.184 617 N C 1.577 177.112 175.510 0.041 0.000 1.025 617 N CA 1.120 54.198 53.050 0.048 0.000 0.852 617 N CB -0.460 38.072 38.487 0.075 0.000 0.998 617 N HN 0.274 nan 8.380 nan 0.000 0.427 618 L N 0.693 121.950 121.223 0.057 0.000 2.013 618 L HA -0.084 4.255 4.340 -0.001 0.000 0.212 618 L C 1.315 178.187 176.870 0.005 0.000 1.073 618 L CA 1.318 56.172 54.840 0.022 0.000 0.753 618 L CB -0.128 41.944 42.059 0.022 0.000 0.890 618 L HN 0.170 nan 8.230 nan 0.000 0.432 619 L N -0.321 120.910 121.223 0.013 0.000 2.591 619 L HA 0.212 4.551 4.340 -0.001 0.000 0.228 619 L C 1.009 177.881 176.870 0.003 0.000 1.133 619 L CA 0.318 55.160 54.840 0.004 0.000 0.880 619 L CB -1.534 40.530 42.059 0.010 0.000 1.033 619 L HN 0.421 nan 8.230 nan 0.000 0.450 620 G N 2.405 111.210 108.800 0.008 0.000 2.344 620 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.204 620 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.204 620 G C 0.790 175.694 174.900 0.006 0.000 0.347 620 G CA 0.153 45.257 45.100 0.007 0.000 1.000 620 G HN 0.303 nan 8.290 nan 0.000 0.408 621 K N 1.518 121.925 120.400 0.011 0.000 2.211 621 K HA 0.073 4.393 4.320 -0.001 0.000 0.201 621 K C 1.285 177.895 176.600 0.018 0.000 1.052 621 K CA 0.875 57.171 56.287 0.014 0.000 0.973 621 K CB 0.563 33.072 32.500 0.016 0.000 0.766 621 K HN 0.628 nan 8.250 nan 0.000 0.466 622 R N 1.119 121.629 120.500 0.017 0.000 2.500 622 R HA 0.324 4.663 4.340 -0.001 0.000 0.299 622 R C -0.936 175.377 176.300 0.022 0.000 1.038 622 R CA -0.412 55.701 56.100 0.022 0.000 0.903 622 R CB 2.140 32.447 30.300 0.012 0.000 1.177 622 R HN -0.201 nan 8.270 nan 0.000 0.455 623 V N 2.842 122.785 119.914 0.048 0.000 2.843 623 V HA -0.073 4.047 4.120 -0.001 0.000 0.305 623 V C 0.899 176.988 176.094 -0.008 0.000 1.065 623 V CA 0.506 62.847 62.300 0.069 0.000 1.116 623 V CB 0.950 32.881 31.823 0.181 0.000 0.968 623 V HN 0.741 nan 8.190 nan 0.000 0.487 624 D N 1.154 121.497 120.400 -0.094 0.000 2.271 624 D HA 0.030 4.669 4.640 -0.001 0.000 0.206 624 D C 0.034 175.856 176.300 -0.796 0.000 0.967 624 D CA 1.124 54.854 54.000 -0.451 0.000 0.867 624 D CB 0.181 40.610 40.800 -0.618 0.000 0.960 624 D HN 0.668 nan 8.370 nan 0.000 0.509 625 Y N 0.440 120.801 120.300 0.101 0.000 2.919 625 Y HA 0.359 4.909 4.550 -0.001 0.000 0.341 625 Y C 0.277 176.231 175.900 0.090 0.000 1.045 625 Y CA -0.811 57.345 58.100 0.094 0.000 1.218 625 Y CB 0.825 39.354 38.460 0.115 0.000 1.137 625 Y HN -0.258 nan 8.280 nan 0.000 0.577 626 S N 0.753 116.485 115.700 0.054 0.000 2.627 626 S HA 1.002 5.471 4.470 -0.001 0.000 0.283 626 S C -0.407 174.115 174.600 -0.131 0.000 1.127 626 S CA -0.431 57.725 58.200 -0.073 0.000 0.863 626 S CB 2.376 65.565 63.200 -0.018 0.000 1.121 626 S HN 0.728 nan 8.310 nan 0.000 0.479 627 G N 0.373 109.035 108.800 -0.231 0.000 2.677 627 G HA2 0.740 4.700 3.960 -0.001 0.000 0.291 627 G HA3 0.740 4.700 3.960 -0.001 0.000 0.291 627 G C -1.727 173.066 174.900 -0.179 0.000 1.435 627 G CA -1.044 43.955 45.100 -0.169 0.000 0.826 627 G HN 1.079 nan 8.290 nan 0.000 0.491 628 R N -0.636 119.791 120.500 -0.122 0.000 2.522 628 R HA 0.762 5.102 4.340 -0.001 0.000 0.273 628 R C -1.612 174.640 176.300 -0.080 0.000 1.133 628 R CA -0.678 55.362 56.100 -0.101 0.000 0.969 628 R CB 1.477 31.733 30.300 -0.073 0.000 1.235 628 R HN 0.781 nan 8.270 nan 0.000 0.433 629 S N 1.620 117.271 115.700 -0.081 0.000 2.776 629 S HA 0.524 4.993 4.470 -0.001 0.000 0.292 629 S C -0.980 173.585 174.600 -0.058 0.000 1.187 629 S CA -0.598 57.561 58.200 -0.067 0.000 0.834 629 S CB 1.945 65.099 63.200 -0.077 0.000 1.199 629 S HN 0.390 nan 8.310 nan 0.000 0.514 630 V N 3.154 123.040 119.914 -0.046 0.000 2.686 630 V HA 0.355 4.475 4.120 -0.001 0.000 0.295 630 V C 0.272 176.349 176.094 -0.029 0.000 1.055 630 V CA -0.260 62.023 62.300 -0.028 0.000 1.050 630 V CB 0.524 32.335 31.823 -0.020 0.000 0.984 630 V HN 0.651 nan 8.190 nan 0.000 0.482 631 I N 2.762 123.339 120.570 0.012 0.000 2.488 631 I HA 0.842 5.011 4.170 -0.001 0.000 0.299 631 I C -0.713 175.477 176.117 0.121 0.000 0.984 631 I CA -0.582 60.748 61.300 0.050 0.000 1.250 631 I CB 1.667 39.715 38.000 0.079 0.000 1.389 631 I HN 0.266 nan 8.210 nan 0.000 0.488 632 V N 5.115 125.003 119.914 -0.044 0.000 2.932 632 V HA 0.205 4.324 4.120 -0.001 0.000 0.307 632 V C -0.067 175.551 176.094 -0.793 0.000 1.147 632 V CA -0.884 61.155 62.300 -0.434 0.000 0.951 632 V CB 2.107 33.746 31.823 -0.306 0.000 1.031 632 V HN 0.677 nan 8.190 nan 0.000 0.426 633 V N 3.063 121.941 119.914 -1.728 0.000 2.720 633 V HA 0.416 4.535 4.120 -0.001 0.000 0.307 633 V C 1.000 176.820 176.094 -0.457 0.000 1.071 633 V CA 1.537 63.159 62.300 -1.131 0.000 1.199 633 V CB 1.226 32.416 31.823 -1.054 0.000 0.900 633 V HN 1.171 nan 8.190 nan 0.000 0.494 634 G N 6.729 115.397 108.800 -0.220 0.000 4.876 634 G HA2 0.415 4.374 3.960 -0.001 0.000 0.304 634 G HA3 0.415 4.374 3.960 -0.001 0.000 0.304 634 G C -1.634 173.245 174.900 -0.034 0.000 1.396 634 G CA -0.518 44.515 45.100 -0.111 0.000 0.978 634 G HN 0.699 nan 8.290 nan 0.000 0.565 635 P HA -0.267 nan 4.420 nan 0.000 0.219 635 P C 1.850 179.237 177.300 0.145 0.000 1.158 635 P CA 1.438 64.610 63.100 0.120 0.000 0.895 635 P CB 0.333 32.078 31.700 0.074 0.000 0.792 636 Q N -1.631 118.219 119.800 0.084 0.000 2.311 636 Q HA -0.008 4.332 4.340 -0.001 0.000 0.203 636 Q C 0.898 176.949 176.000 0.085 0.000 0.954 636 Q CA -0.082 55.762 55.803 0.067 0.000 0.885 636 Q CB -0.385 28.367 28.738 0.024 0.000 0.963 636 Q HN 0.226 nan 8.270 nan 0.000 0.471 637 L N 1.884 123.173 121.223 0.110 0.000 2.506 637 L HA -0.047 4.292 4.340 -0.001 0.000 0.281 637 L C -0.243 176.828 176.870 0.336 0.000 1.228 637 L CA 0.702 55.648 54.840 0.177 0.000 0.850 637 L CB 0.444 42.611 42.059 0.181 0.000 1.110 637 L HN -0.206 nan 8.230 nan 0.000 0.496 638 K N 4.108 124.678 120.400 0.284 0.000 2.118 638 K HA 0.256 4.576 4.320 -0.001 0.000 0.254 638 K C 0.913 177.569 176.600 0.093 0.000 0.961 638 K CA -0.676 55.760 56.287 0.248 0.000 0.876 638 K CB 1.267 33.848 32.500 0.135 0.000 1.077 638 K HN 0.542 nan 8.250 nan 0.000 0.440 639 L N 0.087 121.071 121.223 -0.399 0.000 2.103 639 L HA -0.263 4.077 4.340 -0.001 0.000 0.215 639 L C 2.104 178.819 176.870 -0.258 0.000 1.080 639 L CA 1.904 56.438 54.840 -0.509 0.000 0.764 639 L CB -1.742 40.028 42.059 -0.481 0.000 0.890 639 L HN 0.745 nan 8.230 nan 0.000 0.435 640 H N -0.055 118.878 119.070 -0.227 0.000 2.387 640 H HA -0.025 4.530 4.556 -0.001 0.000 0.299 640 H C 0.966 176.260 175.328 -0.056 0.000 1.099 640 H CA 1.569 57.501 56.048 -0.192 0.000 1.315 640 H CB 0.027 29.718 29.762 -0.118 0.000 1.380 640 H HN 0.636 nan 8.280 nan 0.000 0.513 641 Q N -1.280 118.553 119.800 0.055 0.000 2.486 641 Q HA 0.485 4.825 4.340 -0.001 0.000 0.274 641 Q C -0.931 175.286 176.000 0.362 0.000 1.076 641 Q CA -0.546 55.319 55.803 0.104 0.000 0.872 641 Q CB 2.640 31.388 28.738 0.016 0.000 1.383 641 Q HN 0.384 nan 8.270 nan 0.000 0.478 642 C N -1.699 117.713 119.300 0.187 0.000 2.985 642 C HA 0.909 5.368 4.460 -0.001 0.000 0.314 642 C C 0.046 175.016 174.990 -0.033 0.000 1.215 642 C CA -0.626 58.411 59.018 0.032 0.000 1.414 642 C CB 0.978 28.574 27.740 -0.241 0.000 1.842 642 C HN 0.919 nan 8.230 nan 0.000 0.477 643 G N 2.806 111.567 108.800 -0.065 0.000 2.356 643 G HA2 0.523 4.483 3.960 -0.001 0.000 0.300 643 G HA3 0.523 4.483 3.960 -0.001 0.000 0.300 643 G C -0.914 173.921 174.900 -0.109 0.000 1.107 643 G CA -0.126 44.929 45.100 -0.075 0.000 0.960 643 G HN 1.480 nan 8.290 nan 0.000 0.418 644 L N 4.400 125.560 121.223 -0.105 0.000 2.313 644 L HA 0.655 4.995 4.340 -0.001 0.000 0.283 644 L C -2.627 174.173 176.870 -0.118 0.000 1.013 644 L CA -2.517 52.246 54.840 -0.129 0.000 0.816 644 L CB 2.152 44.120 42.059 -0.152 0.000 1.236 644 L HN 0.118 nan 8.230 nan 0.000 0.419 645 P HA 0.044 nan 4.420 nan 0.000 0.263 645 P C 0.071 177.310 177.300 -0.103 0.000 1.195 645 P CA 0.108 63.143 63.100 -0.109 0.000 0.762 645 P CB 0.615 32.254 31.700 -0.102 0.000 0.799 646 K N 4.583 124.924 120.400 -0.098 0.000 2.063 646 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 646 K C 1.534 178.119 176.600 -0.025 0.000 1.048 646 K CA 1.531 57.780 56.287 -0.063 0.000 0.928 646 K CB -0.018 32.420 32.500 -0.103 0.000 0.713 646 K HN 0.260 nan 8.250 nan 0.000 0.442 647 R N 0.008 120.479 120.500 -0.048 0.000 2.127 647 R HA -0.111 4.229 4.340 -0.001 0.000 0.238 647 R C 2.401 178.697 176.300 -0.006 0.000 1.134 647 R CA 1.941 58.039 56.100 -0.002 0.000 0.975 647 R CB -0.255 30.029 30.300 -0.028 0.000 0.865 647 R HN 0.308 nan 8.270 nan 0.000 0.447 648 M N -0.288 119.281 119.600 -0.051 0.000 2.193 648 M HA 0.024 4.503 4.480 -0.001 0.000 0.265 648 M C 2.530 178.768 176.300 -0.104 0.000 1.071 648 M CA 1.298 56.553 55.300 -0.076 0.000 1.140 648 M CB -0.192 32.342 32.600 -0.109 0.000 1.369 648 M HN 0.244 nan 8.290 nan 0.000 0.423 649 A N 0.803 123.541 122.820 -0.136 0.000 1.978 649 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 649 A C 2.096 179.637 177.584 -0.071 0.000 1.170 649 A CA 1.431 53.331 52.037 -0.229 0.000 0.636 649 A CB -0.979 17.914 19.000 -0.179 0.000 0.810 649 A HN 0.438 nan 8.150 nan 0.000 0.448 650 L N -1.001 120.249 121.223 0.044 0.000 2.017 650 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 650 L C 2.797 179.738 176.870 0.118 0.000 1.073 650 L CA 1.610 56.526 54.840 0.127 0.000 0.745 650 L CB -0.495 41.658 42.059 0.157 0.000 0.894 650 L HN 0.373 nan 8.230 nan 0.000 0.432 651 E N 0.026 120.269 120.200 0.071 0.000 2.047 651 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 651 E C 2.257 178.926 176.600 0.115 0.000 0.987 651 E CA 1.151 57.597 56.400 0.078 0.000 0.799 651 E CB -0.108 29.613 29.700 0.036 0.000 0.752 651 E HN 0.200 nan 8.360 nan 0.000 0.449 652 L N 0.241 121.497 121.223 0.055 0.000 1.970 652 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 652 L C 1.788 178.843 176.870 0.309 0.000 1.071 652 L CA 1.491 56.388 54.840 0.096 0.000 0.751 652 L CB -0.716 41.247 42.059 -0.160 0.000 0.889 652 L HN 0.118 nan 8.230 nan 0.000 0.432 653 F N 0.117 120.114 119.950 0.079 0.000 2.757 653 F HA 0.117 4.644 4.527 -0.001 0.000 0.292 653 F C 1.806 177.696 175.800 0.150 0.000 1.204 653 F CA -0.419 57.624 58.000 0.073 0.000 1.417 653 F CB -1.339 37.683 39.000 0.037 0.000 1.001 653 F HN 0.182 nan 8.300 nan 0.000 0.508 654 K N 1.517 122.115 120.400 0.330 0.000 1.978 654 K HA -0.159 4.160 4.320 -0.001 0.000 0.214 654 K C -0.777 175.959 176.600 0.226 0.000 1.049 654 K CA 1.745 58.176 56.287 0.240 0.000 0.939 654 K CB -0.925 31.693 32.500 0.197 0.000 0.721 654 K HN 0.079 nan 8.250 nan 0.000 0.441 655 P HA -0.146 nan 4.420 nan 0.000 0.215 655 P C 0.986 178.384 177.300 0.163 0.000 1.157 655 P CA 1.299 64.509 63.100 0.183 0.000 0.868 655 P CB -0.084 31.732 31.700 0.192 0.000 0.788 656 F N -0.990 118.961 119.950 0.001 0.000 2.192 656 F HA -0.166 4.360 4.527 -0.001 0.000 0.301 656 F C 2.094 177.885 175.800 -0.015 0.000 1.079 656 F CA 1.226 59.191 58.000 -0.059 0.000 1.303 656 F CB -1.013 37.873 39.000 -0.190 0.000 1.024 656 F HN -0.129 nan 8.300 nan 0.000 0.494 657 L N -0.547 120.805 121.223 0.215 0.000 2.127 657 L HA -0.043 4.297 4.340 -0.001 0.000 0.203 657 L C 2.016 178.928 176.870 0.070 0.000 1.080 657 L CA 1.458 56.384 54.840 0.143 0.000 0.768 657 L CB -0.826 41.331 42.059 0.162 0.000 0.924 657 L HN 0.068 nan 8.230 nan 0.000 0.444 658 L N -0.055 121.208 121.223 0.067 0.000 1.997 658 L HA -0.287 4.052 4.340 -0.001 0.000 0.216 658 L C 2.676 179.545 176.870 -0.001 0.000 1.074 658 L CA 1.900 56.758 54.840 0.031 0.000 0.763 658 L CB -0.829 41.253 42.059 0.038 0.000 0.890 658 L HN 0.297 nan 8.230 nan 0.000 0.434 659 K N 1.014 121.399 120.400 -0.025 0.000 2.026 659 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 659 K C 2.054 178.626 176.600 -0.047 0.000 1.048 659 K CA 1.708 57.961 56.287 -0.057 0.000 0.929 659 K CB -0.264 32.165 32.500 -0.119 0.000 0.713 659 K HN 0.058 nan 8.250 nan 0.000 0.439 660 K N -0.236 120.143 120.400 -0.035 0.000 2.211 660 K HA -0.107 4.212 4.320 -0.001 0.000 0.204 660 K C 1.910 178.503 176.600 -0.011 0.000 1.047 660 K CA 1.519 57.796 56.287 -0.017 0.000 0.935 660 K CB -0.036 32.474 32.500 0.016 0.000 0.728 660 K HN 0.146 nan 8.250 nan 0.000 0.452 661 M N 0.237 119.831 119.600 -0.009 0.000 2.132 661 M HA -0.145 4.334 4.480 -0.001 0.000 0.263 661 M C 1.990 178.276 176.300 -0.023 0.000 1.065 661 M CA 1.580 56.870 55.300 -0.017 0.000 1.122 661 M CB -0.540 32.049 32.600 -0.019 0.000 1.365 661 M HN 0.272 nan 8.290 nan 0.000 0.411 662 E N 0.273 120.459 120.200 -0.023 0.000 2.150 662 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 662 E C 1.795 178.380 176.600 -0.026 0.000 0.985 662 E CA 0.719 57.104 56.400 -0.025 0.000 0.814 662 E CB 0.183 29.867 29.700 -0.026 0.000 0.752 662 E HN 0.387 nan 8.360 nan 0.000 0.466 663 E N 0.760 120.943 120.200 -0.028 0.000 2.265 663 E HA -0.060 4.289 4.350 -0.001 0.000 0.196 663 E C 0.481 177.068 176.600 -0.022 0.000 0.996 663 E CA 0.905 57.288 56.400 -0.027 0.000 0.832 663 E CB 0.109 29.790 29.700 -0.031 0.000 0.756 663 E HN 0.210 nan 8.360 nan 0.000 0.491 664 K N -1.299 119.088 120.400 -0.021 0.000 2.303 664 K HA 0.449 4.768 4.320 -0.001 0.000 0.233 664 K C 1.139 177.726 176.600 -0.021 0.000 1.046 664 K CA -0.142 56.133 56.287 -0.019 0.000 0.895 664 K CB 1.169 33.659 32.500 -0.017 0.000 1.220 664 K HN -0.068 nan 8.250 nan 0.000 0.470 665 G N 0.290 109.077 108.800 -0.022 0.000 2.813 665 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.209 665 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.209 665 G C 1.171 176.054 174.900 -0.028 0.000 1.150 665 G CA 0.126 45.213 45.100 -0.023 0.000 0.785 665 G HN 0.453 nan 8.290 nan 0.000 0.535 666 I N 0.773 121.322 120.570 -0.035 0.000 2.335 666 I HA -0.020 4.150 4.170 -0.001 0.000 0.251 666 I C 1.459 177.550 176.117 -0.044 0.000 1.129 666 I CA 0.868 62.139 61.300 -0.048 0.000 1.402 666 I CB -0.161 37.801 38.000 -0.063 0.000 1.069 666 I HN 0.218 nan 8.210 nan 0.000 0.424 667 A N -0.456 122.343 122.820 -0.035 0.000 2.520 667 A HA 0.561 4.881 4.320 -0.001 0.000 0.298 667 A C -2.240 175.330 177.584 -0.023 0.000 1.051 667 A CA -1.021 50.998 52.037 -0.029 0.000 0.690 667 A CB 1.095 20.077 19.000 -0.029 0.000 1.281 667 A HN -0.188 nan 8.150 nan 0.000 0.402 668 P HA -0.003 nan 4.420 nan 0.000 0.215 668 P C 0.179 177.469 177.300 -0.016 0.000 1.157 668 P CA 1.231 64.321 63.100 -0.017 0.000 0.856 668 P CB 0.260 31.951 31.700 -0.015 0.000 0.786 669 N N -2.548 116.143 118.700 -0.014 0.000 2.902 669 N HA 0.068 4.807 4.740 -0.001 0.000 0.268 669 N C 0.788 176.292 175.510 -0.010 0.000 1.450 669 N CA -0.450 52.593 53.050 -0.013 0.000 0.819 669 N CB 0.937 39.418 38.487 -0.010 0.000 1.540 669 N HN -0.308 nan 8.380 nan 0.000 0.545 670 V N 1.341 121.250 119.914 -0.008 0.000 2.214 670 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 670 V C 2.480 178.576 176.094 0.003 0.000 1.051 670 V CA 2.052 64.351 62.300 -0.002 0.000 1.003 670 V CB -0.984 30.839 31.823 0.000 0.000 0.635 670 V HN 0.689 nan 8.190 nan 0.000 0.447 671 K N 0.304 120.707 120.400 0.004 0.000 2.160 671 K HA -0.212 4.108 4.320 -0.001 0.000 0.206 671 K C 2.298 178.899 176.600 0.002 0.000 1.047 671 K CA 1.583 57.874 56.287 0.005 0.000 0.930 671 K CB -0.481 32.022 32.500 0.004 0.000 0.720 671 K HN 0.538 nan 8.250 nan 0.000 0.450 672 A N 1.289 124.107 122.820 -0.003 0.000 1.873 672 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 672 A C 2.356 179.933 177.584 -0.011 0.000 1.186 672 A CA 1.726 53.758 52.037 -0.008 0.000 0.616 672 A CB -0.633 18.360 19.000 -0.012 0.000 0.823 672 A HN 0.334 nan 8.150 nan 0.000 0.442 673 A N -0.315 122.499 122.820 -0.010 0.000 1.972 673 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 673 A C 2.166 179.748 177.584 -0.003 0.000 1.169 673 A CA 2.039 54.069 52.037 -0.011 0.000 0.635 673 A CB -0.427 18.569 19.000 -0.007 0.000 0.810 673 A HN 0.534 nan 8.150 nan 0.000 0.446 674 R N -0.072 120.431 120.500 0.006 0.000 2.061 674 R HA -0.074 4.265 4.340 -0.001 0.000 0.230 674 R C 2.302 178.607 176.300 0.008 0.000 1.140 674 R CA 1.826 57.935 56.100 0.015 0.000 0.940 674 R CB -0.381 29.931 30.300 0.020 0.000 0.839 674 R HN 0.520 nan 8.270 nan 0.000 0.429 675 R N -0.290 120.212 120.500 0.003 0.000 2.105 675 R HA -0.115 4.224 4.340 -0.001 0.000 0.239 675 R C 2.268 178.563 176.300 -0.008 0.000 1.135 675 R CA 1.499 57.599 56.100 -0.001 0.000 0.967 675 R CB -0.428 29.870 30.300 -0.003 0.000 0.861 675 R HN 0.277 nan 8.270 nan 0.000 0.442 676 M N 0.484 120.074 119.600 -0.016 0.000 2.267 676 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 676 M C 1.385 177.663 176.300 -0.036 0.000 1.063 676 M CA 1.646 56.927 55.300 -0.032 0.000 1.090 676 M CB -0.053 32.520 32.600 -0.045 0.000 1.392 676 M HN 0.205 nan 8.290 nan 0.000 0.422 677 L N -0.827 120.384 121.223 -0.020 0.000 2.766 677 L HA 0.040 4.379 4.340 -0.001 0.000 0.242 677 L C 1.765 178.641 176.870 0.010 0.000 1.136 677 L CA -0.136 54.697 54.840 -0.012 0.000 0.933 677 L CB -0.001 42.056 42.059 -0.002 0.000 1.241 677 L HN 0.239 nan 8.230 nan 0.000 0.522 678 E N 1.628 121.834 120.200 0.009 0.000 2.338 678 E HA -0.130 4.220 4.350 -0.001 0.000 0.197 678 E C 0.234 176.844 176.600 0.017 0.000 1.007 678 E CA 0.373 56.782 56.400 0.016 0.000 0.849 678 E CB -0.056 29.651 29.700 0.012 0.000 0.774 678 E HN 0.519 nan 8.360 nan 0.000 0.506 679 R N 0.461 120.970 120.500 0.014 0.000 2.562 679 R HA 0.341 4.681 4.340 -0.001 0.000 0.298 679 R C 0.421 176.738 176.300 0.028 0.000 0.961 679 R CA -0.641 55.470 56.100 0.019 0.000 0.881 679 R CB 1.145 31.452 30.300 0.012 0.000 1.159 679 R HN -0.174 nan 8.270 nan 0.000 0.450 680 Q N 0.973 120.798 119.800 0.042 0.000 2.119 680 Q HA -0.062 4.277 4.340 -0.001 0.000 0.201 680 Q C 1.218 177.261 176.000 0.072 0.000 0.972 680 Q CA 1.483 57.328 55.803 0.070 0.000 0.847 680 Q CB 0.096 28.876 28.738 0.070 0.000 0.903 680 Q HN 0.443 nan 8.270 nan 0.000 0.433 681 R N 0.134 120.662 120.500 0.047 0.000 2.323 681 R HA -0.049 4.290 4.340 -0.001 0.000 0.198 681 R C 0.430 176.746 176.300 0.026 0.000 0.988 681 R CA 0.586 56.712 56.100 0.044 0.000 1.041 681 R CB 0.256 30.574 30.300 0.030 0.000 0.926 681 R HN 0.150 nan 8.270 nan 0.000 0.476 682 D N -0.572 119.834 120.400 0.009 0.000 2.369 682 D HA 0.084 4.723 4.640 -0.001 0.000 0.211 682 D C -0.578 175.685 176.300 -0.062 0.000 1.077 682 D CA 0.079 54.068 54.000 -0.019 0.000 0.842 682 D CB 0.441 41.228 40.800 -0.020 0.000 0.947 682 D HN -0.046 nan 8.370 nan 0.000 0.509 683 I N 1.667 122.189 120.570 -0.080 0.000 2.436 683 I HA 0.069 4.239 4.170 -0.001 0.000 0.289 683 I C 0.620 176.570 176.117 -0.278 0.000 1.083 683 I CA -0.103 61.048 61.300 -0.248 0.000 1.372 683 I CB 0.759 38.508 38.000 -0.419 0.000 1.408 683 I HN -0.276 nan 8.210 nan 0.000 0.516 684 K N 5.219 125.435 120.400 -0.307 0.000 2.237 684 K HA 0.093 4.412 4.320 -0.001 0.000 0.270 684 K C 0.675 177.004 176.600 -0.452 0.000 1.015 684 K CA -0.466 55.673 56.287 -0.247 0.000 0.949 684 K CB 0.670 33.068 32.500 -0.169 0.000 0.976 684 K HN 0.509 nan 8.250 nan 0.000 0.472 685 D N 2.513 122.788 120.400 -0.209 0.000 2.271 685 D HA -0.192 4.448 4.640 -0.001 0.000 0.207 685 D C 0.929 177.068 176.300 -0.269 0.000 0.983 685 D CA 1.415 55.334 54.000 -0.134 0.000 0.878 685 D CB 0.296 41.225 40.800 0.215 0.000 0.920 685 D HN 0.580 nan 8.370 nan 0.000 0.479 686 E N 0.525 120.587 120.200 -0.231 0.000 2.153 686 E HA -0.113 4.237 4.350 -0.001 0.000 0.194 686 E C 2.347 178.829 176.600 -0.197 0.000 0.988 686 E CA 0.582 56.895 56.400 -0.145 0.000 0.811 686 E CB -0.023 29.610 29.700 -0.112 0.000 0.746 686 E HN 0.170 nan 8.360 nan 0.000 0.466 687 V N 0.817 120.485 119.914 -0.409 0.000 2.343 687 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 687 V C 2.009 178.014 176.094 -0.149 0.000 1.051 687 V CA 2.059 64.150 62.300 -0.349 0.000 1.036 687 V CB -0.987 30.504 31.823 -0.554 0.000 0.654 687 V HN 0.397 nan 8.190 nan 0.000 0.451 688 W N 0.639 121.959 121.300 0.033 0.000 2.335 688 W HA -0.189 4.470 4.660 -0.001 0.000 0.311 688 W C 2.257 178.802 176.519 0.042 0.000 1.213 688 W CA 0.802 58.169 57.345 0.036 0.000 1.274 688 W CB -0.798 28.677 29.460 0.025 0.000 1.148 688 W HN 0.248 nan 8.180 nan 0.000 0.498 689 D N 0.570 121.111 120.400 0.236 0.000 2.149 689 D HA -0.189 4.450 4.640 -0.001 0.000 0.198 689 D C 2.218 178.586 176.300 0.114 0.000 0.990 689 D CA 1.982 56.072 54.000 0.149 0.000 0.839 689 D CB -1.007 39.849 40.800 0.094 0.000 0.948 689 D HN 0.156 nan 8.370 nan 0.000 0.460 690 A N 0.847 123.717 122.820 0.084 0.000 1.858 690 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 690 A C 2.062 179.718 177.584 0.120 0.000 1.190 690 A CA 0.798 52.879 52.037 0.073 0.000 0.617 690 A CB -0.771 18.249 19.000 0.033 0.000 0.827 690 A HN 0.186 nan 8.150 nan 0.000 0.443 691 L N 0.027 121.347 121.223 0.160 0.000 2.012 691 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 691 L C 2.265 179.267 176.870 0.219 0.000 1.073 691 L CA 2.553 57.523 54.840 0.217 0.000 0.748 691 L CB -1.355 40.856 42.059 0.255 0.000 0.891 691 L HN 0.580 nan 8.230 nan 0.000 0.431 692 E N -0.505 119.812 120.200 0.195 0.000 2.209 692 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 692 E C 2.037 178.733 176.600 0.160 0.000 0.993 692 E CA 1.298 57.798 56.400 0.168 0.000 0.819 692 E CB 0.131 29.919 29.700 0.147 0.000 0.745 692 E HN 0.518 nan 8.360 nan 0.000 0.477 693 E N -0.880 119.406 120.200 0.144 0.000 2.170 693 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 693 E C 1.971 178.658 176.600 0.144 0.000 0.981 693 E CA 0.776 57.250 56.400 0.123 0.000 0.830 693 E CB 0.375 30.122 29.700 0.079 0.000 0.775 693 E HN 0.161 nan 8.360 nan 0.000 0.470 694 V N 1.631 121.636 119.914 0.152 0.000 2.453 694 V HA -0.163 3.956 4.120 -0.001 0.000 0.247 694 V C 2.210 178.364 176.094 0.101 0.000 1.048 694 V CA 1.153 63.541 62.300 0.146 0.000 1.049 694 V CB -0.220 31.704 31.823 0.169 0.000 0.672 694 V HN 0.285 nan 8.190 nan 0.000 0.457 695 I N -0.162 120.508 120.570 0.168 0.000 3.684 695 I HA -0.068 4.101 4.170 -0.001 0.000 0.304 695 I C 2.194 178.395 176.117 0.141 0.000 1.278 695 I CA 0.577 61.997 61.300 0.200 0.000 1.272 695 I CB -0.338 37.923 38.000 0.435 0.000 1.029 695 I HN 0.498 nan 8.210 nan 0.000 0.458 696 H N 1.887 121.003 119.070 0.077 0.000 2.275 696 H HA -0.299 4.257 4.556 -0.001 0.000 0.279 696 H C 1.542 176.901 175.328 0.052 0.000 1.121 696 H CA 2.490 58.574 56.048 0.060 0.000 1.175 696 H CB -0.808 28.983 29.762 0.048 0.000 1.390 696 H HN 0.332 nan 8.280 nan 0.000 0.521 697 G N 0.359 108.890 108.800 -0.448 0.000 3.839 697 G HA2 0.188 4.147 3.960 -0.001 0.000 0.286 697 G HA3 0.188 4.147 3.960 -0.001 0.000 0.286 697 G C -0.518 174.294 174.900 -0.146 0.000 1.005 697 G CA -0.472 44.353 45.100 -0.458 0.000 0.824 697 G HN 0.310 nan 8.290 nan 0.000 0.489 698 K N 0.957 121.315 120.400 -0.070 0.000 2.126 698 K HA 0.551 4.870 4.320 -0.001 0.000 0.257 698 K C 0.041 176.661 176.600 0.032 0.000 1.007 698 K CA -0.399 55.864 56.287 -0.039 0.000 0.928 698 K CB 1.995 34.404 32.500 -0.151 0.000 1.013 698 K HN 0.149 nan 8.250 nan 0.000 0.473 699 V N -2.241 117.708 119.914 0.058 0.000 3.074 699 V HA 0.724 4.843 4.120 -0.001 0.000 0.314 699 V C -0.050 176.128 176.094 0.139 0.000 1.117 699 V CA -1.150 61.205 62.300 0.091 0.000 1.014 699 V CB 1.636 33.499 31.823 0.067 0.000 1.057 699 V HN 0.621 nan 8.190 nan 0.000 0.438 700 V N 0.110 120.108 119.914 0.139 0.000 3.046 700 V HA 0.846 4.965 4.120 -0.001 0.000 0.316 700 V C -0.930 175.262 176.094 0.163 0.000 1.104 700 V CA -0.953 61.424 62.300 0.128 0.000 1.006 700 V CB 1.814 33.659 31.823 0.036 0.000 1.058 700 V HN 0.809 nan 8.190 nan 0.000 0.440 701 L N 2.237 123.560 121.223 0.168 0.000 2.325 701 L HA 0.721 5.061 4.340 -0.001 0.000 0.278 701 L C -0.643 176.332 176.870 0.176 0.000 1.023 701 L CA -0.248 54.723 54.840 0.218 0.000 0.811 701 L CB 1.443 43.643 42.059 0.236 0.000 1.249 701 L HN 0.635 nan 8.230 nan 0.000 0.431 702 L N 3.499 124.837 121.223 0.193 0.000 2.329 702 L HA 0.535 4.875 4.340 -0.001 0.000 0.279 702 L C -0.122 176.901 176.870 0.255 0.000 1.014 702 L CA -0.152 54.731 54.840 0.070 0.000 0.814 702 L CB 1.434 43.362 42.059 -0.218 0.000 1.257 702 L HN 0.579 nan 8.230 nan 0.000 0.424 703 N N 0.870 119.673 118.700 0.172 0.000 2.265 703 N HA 0.691 5.430 4.740 -0.001 0.000 0.300 703 N C -1.050 174.564 175.510 0.173 0.000 1.148 703 N CA -0.791 52.418 53.050 0.266 0.000 0.772 703 N CB 2.110 40.745 38.487 0.246 0.000 1.434 703 N HN 0.570 nan 8.380 nan 0.000 0.481 704 R N 1.676 122.341 120.500 0.275 0.000 2.828 704 R HA 0.662 5.001 4.340 -0.001 0.000 0.264 704 R C 0.463 176.839 176.300 0.127 0.000 1.022 704 R CA 0.060 56.277 56.100 0.195 0.000 1.021 704 R CB 0.812 31.338 30.300 0.378 0.000 1.163 704 R HN 0.631 nan 8.270 nan 0.000 0.494 705 A N 2.202 125.073 122.820 0.085 0.000 1.873 705 A HA 0.044 4.364 4.320 -0.001 0.000 0.211 705 A C -1.265 176.359 177.584 0.067 0.000 1.218 705 A CA 1.232 53.307 52.037 0.063 0.000 0.659 705 A CB -1.819 17.209 19.000 0.047 0.000 0.853 705 A HN 0.708 nan 8.150 nan 0.000 0.466 706 P HA 0.331 nan 4.420 nan 0.000 0.291 706 P C -1.132 176.207 177.300 0.066 0.000 1.340 706 P CA -0.027 63.107 63.100 0.058 0.000 0.799 706 P CB 1.022 32.752 31.700 0.050 0.000 0.917 707 T N 4.528 119.113 114.554 0.053 0.000 2.961 707 T HA 0.112 4.462 4.350 -0.001 0.000 0.270 707 T C 1.411 176.131 174.700 0.034 0.000 0.926 707 T CA 0.203 62.321 62.100 0.030 0.000 1.112 707 T CB -0.353 68.527 68.868 0.020 0.000 0.926 707 T HN 0.265 nan 8.240 nan 0.000 0.612 708 L N 2.121 123.393 121.223 0.082 0.000 2.168 708 L HA 0.156 4.496 4.340 -0.001 0.000 0.203 708 L C 1.295 178.275 176.870 0.183 0.000 1.078 708 L CA 0.806 55.731 54.840 0.141 0.000 0.780 708 L CB -0.070 42.107 42.059 0.197 0.000 0.939 708 L HN 0.750 nan 8.230 nan 0.000 0.451 709 H N -3.381 115.659 119.070 -0.050 0.000 2.896 709 H HA 0.388 4.943 4.556 -0.001 0.000 0.318 709 H C 0.802 176.088 175.328 -0.069 0.000 1.409 709 H CA -0.994 55.019 56.048 -0.058 0.000 1.328 709 H CB 0.639 30.369 29.762 -0.054 0.000 1.940 709 H HN -0.156 nan 8.280 nan 0.000 0.665 710 R N 0.260 120.763 120.500 0.005 0.000 2.105 710 R HA -0.062 4.277 4.340 -0.001 0.000 0.239 710 R C 1.168 177.358 176.300 -0.184 0.000 1.135 710 R CA 1.773 57.837 56.100 -0.060 0.000 0.967 710 R CB -0.769 29.533 30.300 0.003 0.000 0.861 710 R HN 0.594 nan 8.270 nan 0.000 0.442 711 L N 1.478 122.513 121.223 -0.313 0.000 2.700 711 L HA 0.074 4.413 4.340 -0.001 0.000 0.240 711 L C 2.014 178.378 176.870 -0.844 0.000 1.162 711 L CA 0.535 55.089 54.840 -0.476 0.000 0.874 711 L CB -0.362 41.460 42.059 -0.395 0.000 1.001 711 L HN 0.598 nan 8.230 nan 0.000 0.447 712 G N 0.204 108.605 108.800 -0.665 0.000 2.535 712 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.218 712 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.218 712 G C 0.701 175.433 174.900 -0.280 0.000 1.122 712 G CA 0.293 45.088 45.100 -0.508 0.000 0.769 712 G HN 0.320 nan 8.290 nan 0.000 0.549 713 I N -0.585 119.853 120.570 -0.220 0.000 2.571 713 I HA 0.344 4.514 4.170 -0.001 0.000 0.289 713 I C -0.914 175.281 176.117 0.130 0.000 1.115 713 I CA -0.548 60.816 61.300 0.107 0.000 1.045 713 I CB 2.376 40.443 38.000 0.111 0.000 1.238 713 I HN -0.042 nan 8.210 nan 0.000 0.424 714 Q N 3.447 123.510 119.800 0.438 0.000 2.456 714 Q HA 0.800 5.140 4.340 -0.001 0.000 0.283 714 Q C -1.126 175.190 176.000 0.526 0.000 1.084 714 Q CA -1.002 55.074 55.803 0.454 0.000 0.801 714 Q CB 3.215 32.359 28.738 0.676 0.000 1.434 714 Q HN 0.737 nan 8.270 nan 0.000 0.419 715 A N 1.450 124.479 122.820 0.348 0.000 2.292 715 A HA 0.808 5.128 4.320 -0.001 0.000 0.319 715 A C -1.365 176.411 177.584 0.320 0.000 1.206 715 A CA -0.146 52.088 52.037 0.328 0.000 0.835 715 A CB 0.314 19.415 19.000 0.169 0.000 1.164 715 A HN 0.488 nan 8.150 nan 0.000 0.505 716 F N -0.545 119.421 119.950 0.026 0.000 2.629 716 F HA 0.482 5.008 4.527 -0.001 0.000 0.316 716 F C 0.304 176.054 175.800 -0.083 0.000 1.081 716 F CA -0.703 57.279 58.000 -0.032 0.000 0.954 716 F CB 2.076 41.064 39.000 -0.019 0.000 1.337 716 F HN 0.600 nan 8.300 nan 0.000 0.474 717 Q N 2.647 122.456 119.800 0.015 0.000 2.322 717 Q HA 0.360 4.699 4.340 -0.001 0.000 0.256 717 Q C -2.536 173.457 176.000 -0.011 0.000 0.960 717 Q CA -1.889 53.865 55.803 -0.083 0.000 0.934 717 Q CB 1.236 29.782 28.738 -0.322 0.000 1.200 717 Q HN 0.095 nan 8.270 nan 0.000 0.435 718 P HA 0.007 nan 4.420 nan 0.000 0.271 718 P C -1.216 176.082 177.300 -0.004 0.000 1.220 718 P CA -0.050 63.046 63.100 -0.008 0.000 0.768 718 P CB 0.853 32.535 31.700 -0.029 0.000 0.848 719 V N 6.166 126.071 119.914 -0.015 0.000 2.275 719 V HA 0.126 4.246 4.120 -0.001 0.000 0.272 719 V C 0.189 176.268 176.094 -0.025 0.000 1.028 719 V CA -0.665 61.630 62.300 -0.009 0.000 0.810 719 V CB 0.470 32.292 31.823 -0.003 0.000 1.043 719 V HN 0.422 nan 8.190 nan 0.000 0.453 720 L N 5.879 127.092 121.223 -0.017 0.000 2.640 720 L HA 0.065 4.404 4.340 -0.001 0.000 0.280 720 L C 0.139 176.974 176.870 -0.058 0.000 1.229 720 L CA 1.300 56.118 54.840 -0.037 0.000 0.919 720 L CB 0.116 42.170 42.059 -0.008 0.000 1.168 720 L HN 0.357 nan 8.230 nan 0.000 0.496 721 V N 2.377 122.241 119.914 -0.083 0.000 3.102 721 V HA 0.414 4.533 4.120 -0.001 0.000 0.312 721 V C -0.135 175.886 176.094 -0.122 0.000 1.135 721 V CA -1.140 61.102 62.300 -0.096 0.000 1.022 721 V CB 2.182 33.952 31.823 -0.087 0.000 1.056 721 V HN 0.659 nan 8.190 nan 0.000 0.436 722 E N 1.151 121.274 120.200 -0.129 0.000 2.349 722 E HA 0.578 4.928 4.350 -0.001 0.000 0.265 722 E C 0.369 176.899 176.600 -0.117 0.000 1.064 722 E CA 0.556 56.871 56.400 -0.143 0.000 0.886 722 E CB 1.337 30.952 29.700 -0.142 0.000 1.036 722 E HN 1.160 nan 8.360 nan 0.000 0.413 723 G N 1.368 110.101 108.800 -0.113 0.000 2.549 723 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.404 723 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.404 723 G C 0.316 175.164 174.900 -0.085 0.000 1.292 723 G CA 0.164 45.208 45.100 -0.092 0.000 0.935 723 G HN 0.627 nan 8.290 nan 0.000 0.512 724 Q N -0.622 119.133 119.800 -0.075 0.000 2.226 724 Q HA 0.366 4.705 4.340 -0.001 0.000 0.199 724 Q C 1.725 177.680 176.000 -0.076 0.000 0.945 724 Q CA 1.472 57.233 55.803 -0.069 0.000 0.861 724 Q CB -0.164 28.540 28.738 -0.056 0.000 0.953 724 Q HN 1.549 nan 8.270 nan 0.000 0.490 725 S N 0.326 115.979 115.700 -0.080 0.000 2.593 725 S HA 0.367 4.836 4.470 -0.001 0.000 0.269 725 S C 0.106 174.646 174.600 -0.100 0.000 1.334 725 S CA -0.749 57.400 58.200 -0.085 0.000 1.015 725 S CB 0.595 63.741 63.200 -0.090 0.000 0.912 725 S HN 0.352 nan 8.310 nan 0.000 0.541 726 I N 1.381 121.889 120.570 -0.103 0.000 2.362 726 I HA 0.240 4.409 4.170 -0.001 0.000 0.289 726 I C 0.285 176.327 176.117 -0.126 0.000 0.994 726 I CA -0.385 60.842 61.300 -0.122 0.000 1.158 726 I CB 1.517 39.433 38.000 -0.141 0.000 1.315 726 I HN 0.679 nan 8.210 nan 0.000 0.451 727 Q N 5.264 124.988 119.800 -0.128 0.000 2.296 727 Q HA 0.325 4.664 4.340 -0.001 0.000 0.263 727 Q C -0.911 175.025 176.000 -0.106 0.000 1.026 727 Q CA -0.365 55.364 55.803 -0.123 0.000 0.912 727 Q CB 1.337 30.015 28.738 -0.100 0.000 1.198 727 Q HN 0.434 nan 8.270 nan 0.000 0.407 728 L N 2.661 123.844 121.223 -0.066 0.000 2.334 728 L HA 0.351 4.691 4.340 -0.001 0.000 0.272 728 L C -0.465 176.487 176.870 0.136 0.000 1.020 728 L CA -0.554 54.268 54.840 -0.031 0.000 0.812 728 L CB 1.360 43.424 42.059 0.008 0.000 1.264 728 L HN 0.588 nan 8.230 nan 0.000 0.439 729 H N 4.431 123.596 119.070 0.158 0.000 2.629 729 H HA 0.245 4.800 4.556 -0.001 0.000 0.357 729 H C -2.053 173.460 175.328 0.308 0.000 1.121 729 H CA -1.402 54.806 56.048 0.267 0.000 1.406 729 H CB 1.811 31.793 29.762 0.366 0.000 1.456 729 H HN 0.517 nan 8.280 nan 0.000 0.579 730 P HA -0.121 nan 4.420 nan 0.000 0.216 730 P C 1.857 179.365 177.300 0.346 0.000 1.153 730 P CA 0.753 64.000 63.100 0.245 0.000 0.844 730 P CB 0.501 32.402 31.700 0.335 0.000 0.787 731 L N 0.115 121.628 121.223 0.483 0.000 2.127 731 L HA -0.116 4.224 4.340 -0.001 0.000 0.211 731 L C 2.535 179.642 176.870 0.395 0.000 1.089 731 L CA 1.478 56.590 54.840 0.455 0.000 0.757 731 L CB -0.829 41.524 42.059 0.489 0.000 0.899 731 L HN -0.069 nan 8.230 nan 0.000 0.434 732 V N -5.766 114.442 119.914 0.490 0.000 3.306 732 V HA -0.110 4.010 4.120 -0.001 0.000 0.264 732 V C 2.072 178.429 176.094 0.439 0.000 1.149 732 V CA 0.613 63.194 62.300 0.469 0.000 1.143 732 V CB -0.786 31.441 31.823 0.673 0.000 0.767 732 V HN 0.399 nan 8.190 nan 0.000 0.476 733 C N 0.521 120.006 119.300 0.308 0.000 2.443 733 C HA -0.023 4.436 4.460 -0.001 0.000 0.290 733 C C 2.580 177.673 174.990 0.171 0.000 1.476 733 C CA 1.303 60.425 59.018 0.173 0.000 1.772 733 C CB -1.342 26.414 27.740 0.026 0.000 1.714 733 C HN 0.682 nan 8.230 nan 0.000 0.562 734 E N 0.202 120.525 120.200 0.206 0.000 2.060 734 E HA -0.036 4.313 4.350 -0.001 0.000 0.189 734 E C 2.371 179.083 176.600 0.187 0.000 0.974 734 E CA 0.900 57.398 56.400 0.163 0.000 0.808 734 E CB -0.158 29.627 29.700 0.141 0.000 0.768 734 E HN 0.613 nan 8.360 nan 0.000 0.453 735 A N 1.741 124.684 122.820 0.204 0.000 1.848 735 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 735 A C 0.731 178.334 177.584 0.030 0.000 1.220 735 A CA 1.298 53.390 52.037 0.092 0.000 0.645 735 A CB -1.117 17.860 19.000 -0.038 0.000 0.842 735 A HN 0.155 nan 8.150 nan 0.000 0.451 736 F N 0.375 120.350 119.950 0.041 0.000 2.504 736 F HA 0.249 4.775 4.527 -0.001 0.000 0.369 736 F C 0.818 176.637 175.800 0.031 0.000 1.082 736 F CA -0.573 57.436 58.000 0.015 0.000 1.216 736 F CB -0.350 38.654 39.000 0.006 0.000 1.108 736 F HN 0.364 nan 8.300 nan 0.000 0.554 737 N N 2.620 121.447 118.700 0.213 0.000 2.892 737 N HA 0.335 5.074 4.740 -0.001 0.000 0.300 737 N C -0.954 174.603 175.510 0.079 0.000 1.211 737 N CA 0.028 53.158 53.050 0.133 0.000 1.158 737 N CB -0.155 38.404 38.487 0.120 0.000 1.455 737 N HN 0.680 nan 8.380 nan 0.000 0.524 738 A N 2.284 125.122 122.820 0.030 0.000 2.401 738 A HA 0.644 4.963 4.320 -0.001 0.000 0.310 738 A C -1.474 175.944 177.584 -0.275 0.000 1.075 738 A CA -0.819 51.159 52.037 -0.099 0.000 0.746 738 A CB 1.156 20.082 19.000 -0.123 0.000 1.277 738 A HN 0.737 nan 8.150 nan 0.000 0.425 739 D N -0.530 119.659 120.400 -0.351 0.000 2.891 739 D HA 0.395 5.034 4.640 -0.001 0.000 0.224 739 D C -1.062 174.994 176.300 -0.406 0.000 1.321 739 D CA -0.421 53.279 54.000 -0.501 0.000 0.929 739 D CB 0.010 40.673 40.800 -0.228 0.000 1.551 739 D HN 0.271 nan 8.370 nan 0.000 0.574 740 F N 1.998 121.930 119.950 -0.030 0.000 2.563 740 F HA 0.170 4.697 4.527 -0.001 0.000 0.323 740 F C 0.538 176.317 175.800 -0.035 0.000 1.297 740 F CA -0.099 57.876 58.000 -0.042 0.000 1.026 740 F CB -0.197 38.769 39.000 -0.057 0.000 1.410 740 F HN 0.334 nan 8.300 nan 0.000 0.656 741 D N 1.099 121.542 120.400 0.071 0.000 2.966 741 D HA 0.209 4.848 4.640 -0.001 0.000 0.222 741 D C 0.943 177.261 176.300 0.029 0.000 1.292 741 D CA -0.299 53.724 54.000 0.039 0.000 0.907 741 D CB 1.643 42.449 40.800 0.011 0.000 1.621 741 D HN 0.482 nan 8.370 nan 0.000 0.557 742 G N 3.662 112.479 108.800 0.028 0.000 2.665 742 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.286 742 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.286 742 G C 0.177 175.086 174.900 0.016 0.000 1.108 742 G CA 1.837 46.950 45.100 0.021 0.000 0.674 742 G HN 0.808 nan 8.290 nan 0.000 0.633 743 D N -0.697 119.710 120.400 0.011 0.000 2.344 743 D HA 0.573 5.212 4.640 -0.001 0.000 0.244 743 D C 0.278 176.576 176.300 -0.004 0.000 1.134 743 D CA -0.119 53.882 54.000 0.002 0.000 0.930 743 D CB 0.637 41.430 40.800 -0.010 0.000 1.175 743 D HN 0.383 nan 8.370 nan 0.000 0.437 744 Q N 0.053 119.846 119.800 -0.011 0.000 2.359 744 Q HA 0.527 4.867 4.340 -0.001 0.000 0.274 744 Q C -1.100 174.878 176.000 -0.037 0.000 1.074 744 Q CA -0.650 55.138 55.803 -0.024 0.000 0.810 744 Q CB 2.590 31.314 28.738 -0.022 0.000 1.342 744 Q HN 0.442 nan 8.270 nan 0.000 0.427 745 M N 1.413 120.973 119.600 -0.068 0.000 2.436 745 M HA 0.699 5.179 4.480 -0.001 0.000 0.331 745 M C -0.478 175.767 176.300 -0.092 0.000 1.135 745 M CA -0.657 54.591 55.300 -0.086 0.000 0.987 745 M CB 1.897 34.392 32.600 -0.175 0.000 1.687 745 M HN 0.736 nan 8.290 nan 0.000 0.445 746 A N 2.119 124.901 122.820 -0.063 0.000 2.259 746 A HA 0.814 5.134 4.320 -0.001 0.000 0.278 746 A C -0.819 176.651 177.584 -0.189 0.000 1.107 746 A CA -0.615 51.351 52.037 -0.119 0.000 0.828 746 A CB 1.081 20.048 19.000 -0.056 0.000 1.111 746 A HN 0.692 nan 8.150 nan 0.000 0.498 747 V N 0.667 120.355 119.914 -0.377 0.000 2.891 747 V HA 0.578 4.698 4.120 -0.001 0.000 0.304 747 V C -1.383 174.384 176.094 -0.544 0.000 1.171 747 V CA -0.613 61.491 62.300 -0.326 0.000 0.943 747 V CB 1.807 33.499 31.823 -0.218 0.000 1.037 747 V HN 1.040 nan 8.190 nan 0.000 0.427 748 H N 4.111 123.198 119.070 0.028 0.000 2.855 748 H HA 0.815 5.370 4.556 -0.001 0.000 0.363 748 H C -0.962 174.416 175.328 0.083 0.000 1.185 748 H CA -0.225 55.862 56.048 0.066 0.000 1.174 748 H CB 2.244 32.054 29.762 0.080 0.000 1.857 748 H HN 0.741 nan 8.280 nan 0.000 0.565 749 V N -0.892 119.175 119.914 0.255 0.000 2.686 749 V HA 0.433 4.552 4.120 -0.001 0.000 0.306 749 V C -2.915 173.262 176.094 0.138 0.000 1.065 749 V CA -2.217 60.206 62.300 0.205 0.000 0.894 749 V CB 1.648 33.642 31.823 0.286 0.000 1.004 749 V HN 0.481 nan 8.190 nan 0.000 0.424 750 P HA 0.410 nan 4.420 nan 0.000 0.276 750 P C 0.573 177.853 177.300 -0.034 0.000 1.264 750 P CA -0.167 62.960 63.100 0.045 0.000 0.769 750 P CB 1.316 33.050 31.700 0.055 0.000 0.840 751 L N 1.224 122.435 121.223 -0.020 0.000 2.102 751 L HA 0.004 4.343 4.340 -0.001 0.000 0.202 751 L C 1.292 178.197 176.870 0.058 0.000 1.076 751 L CA 0.920 55.735 54.840 -0.042 0.000 0.761 751 L CB -0.092 41.929 42.059 -0.063 0.000 0.921 751 L HN 0.370 nan 8.230 nan 0.000 0.444 752 S N -1.158 114.588 115.700 0.078 0.000 2.603 752 S HA 0.030 4.499 4.470 -0.001 0.000 0.268 752 S C 1.379 176.058 174.600 0.132 0.000 1.317 752 S CA -0.290 57.982 58.200 0.119 0.000 1.012 752 S CB 1.571 64.853 63.200 0.138 0.000 0.926 752 S HN 0.207 nan 8.310 nan 0.000 0.539 753 S N 2.521 118.306 115.700 0.142 0.000 2.419 753 S HA -0.045 4.424 4.470 -0.001 0.000 0.233 753 S C 1.308 175.949 174.600 0.068 0.000 1.016 753 S CA 0.996 59.253 58.200 0.094 0.000 0.974 753 S CB -0.434 62.808 63.200 0.069 0.000 0.786 753 S HN 0.710 nan 8.310 nan 0.000 0.492 754 F N 2.093 122.053 119.950 0.017 0.000 2.060 754 F HA -0.065 4.461 4.527 -0.001 0.000 0.295 754 F C 2.608 178.416 175.800 0.014 0.000 1.120 754 F CA 1.104 59.110 58.000 0.010 0.000 1.205 754 F CB -0.703 38.298 39.000 0.002 0.000 0.986 754 F HN 0.177 nan 8.300 nan 0.000 0.470 755 A N -0.661 122.302 122.820 0.237 0.000 1.917 755 A HA -0.319 4.000 4.320 -0.001 0.000 0.219 755 A C 1.996 179.636 177.584 0.094 0.000 1.182 755 A CA 2.048 54.172 52.037 0.144 0.000 0.633 755 A CB -0.955 18.110 19.000 0.107 0.000 0.819 755 A HN 0.457 nan 8.150 nan 0.000 0.448 756 Q N -0.362 119.480 119.800 0.071 0.000 2.030 756 Q HA -0.085 4.255 4.340 -0.001 0.000 0.204 756 Q C 2.221 178.238 176.000 0.029 0.000 0.986 756 Q CA 2.300 58.127 55.803 0.039 0.000 0.843 756 Q CB -0.681 28.070 28.738 0.022 0.000 0.904 756 Q HN 0.595 nan 8.270 nan 0.000 0.420 757 A N 1.129 123.947 122.820 -0.003 0.000 1.849 757 A HA -0.321 3.998 4.320 -0.001 0.000 0.217 757 A C 1.929 179.511 177.584 -0.003 0.000 1.202 757 A CA 2.321 54.332 52.037 -0.043 0.000 0.629 757 A CB -1.116 17.787 19.000 -0.161 0.000 0.834 757 A HN 0.675 nan 8.150 nan 0.000 0.447 758 E N 0.085 120.299 120.200 0.023 0.000 2.058 758 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 758 E C 2.184 178.824 176.600 0.066 0.000 0.997 758 E CA 1.345 57.775 56.400 0.050 0.000 0.801 758 E CB -0.689 29.063 29.700 0.086 0.000 0.746 758 E HN 0.541 nan 8.360 nan 0.000 0.450 759 A N 2.629 125.495 122.820 0.076 0.000 1.917 759 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 759 A C 2.368 180.012 177.584 0.101 0.000 1.182 759 A CA 2.291 54.382 52.037 0.091 0.000 0.633 759 A CB -0.719 18.336 19.000 0.092 0.000 0.819 759 A HN 0.420 nan 8.150 nan 0.000 0.448 760 R N -0.908 119.646 120.500 0.091 0.000 2.254 760 R HA 0.260 4.600 4.340 -0.001 0.000 0.195 760 R C 1.543 177.959 176.300 0.192 0.000 0.957 760 R CA 1.107 57.275 56.100 0.113 0.000 1.024 760 R CB -0.356 29.990 30.300 0.076 0.000 0.952 760 R HN 0.511 nan 8.270 nan 0.000 0.484 761 I N 1.636 122.282 120.570 0.126 0.000 2.628 761 I HA -0.113 4.056 4.170 -0.001 0.000 0.255 761 I C 2.267 178.376 176.117 -0.013 0.000 1.119 761 I CA 0.885 62.219 61.300 0.057 0.000 1.448 761 I CB 0.058 38.043 38.000 -0.025 0.000 1.133 761 I HN 0.180 nan 8.210 nan 0.000 0.438 762 Q N -0.356 119.472 119.800 0.047 0.000 2.164 762 Q HA 0.199 4.538 4.340 -0.001 0.000 0.226 762 Q C 1.513 177.569 176.000 0.093 0.000 0.813 762 Q CA 0.194 56.014 55.803 0.029 0.000 0.978 762 Q CB 0.693 29.440 28.738 0.015 0.000 1.149 762 Q HN 0.408 nan 8.270 nan 0.000 0.489 763 M N 0.798 120.474 119.600 0.127 0.000 2.393 763 M HA 0.212 4.692 4.480 -0.001 0.000 0.270 763 M C 0.076 176.444 176.300 0.113 0.000 1.127 763 M CA -0.299 55.068 55.300 0.112 0.000 1.104 763 M CB 0.858 33.521 32.600 0.104 0.000 1.523 763 M HN 0.273 nan 8.290 nan 0.000 0.546 764 L N 1.241 122.536 121.223 0.120 0.000 2.593 764 L HA 0.054 4.393 4.340 -0.001 0.000 0.287 764 L C 1.260 178.065 176.870 -0.109 0.000 1.243 764 L CA 0.631 55.460 54.840 -0.018 0.000 0.890 764 L CB 0.335 42.333 42.059 -0.102 0.000 1.134 764 L HN 0.510 nan 8.230 nan 0.000 0.502 765 S N 4.067 119.570 115.700 -0.328 0.000 2.404 765 S HA -0.310 4.160 4.470 -0.001 0.000 0.230 765 S C 1.798 176.260 174.600 -0.229 0.000 1.046 765 S CA 1.401 59.384 58.200 -0.362 0.000 1.135 765 S CB -1.478 61.080 63.200 -1.070 0.000 1.056 765 S HN 1.130 nan 8.310 nan 0.000 0.426 766 A N 1.486 124.102 122.820 -0.339 0.000 2.139 766 A HA -0.176 4.144 4.320 -0.001 0.000 0.221 766 A C 1.994 179.530 177.584 -0.080 0.000 1.159 766 A CA 1.733 53.640 52.037 -0.216 0.000 0.662 766 A CB -0.971 17.862 19.000 -0.278 0.000 0.796 766 A HN 0.736 nan 8.150 nan 0.000 0.463 767 H N -0.331 118.721 119.070 -0.030 0.000 2.544 767 H HA 0.102 4.657 4.556 -0.001 0.000 0.269 767 H C 0.070 175.437 175.328 0.066 0.000 0.970 767 H CA 0.416 56.474 56.048 0.016 0.000 1.219 767 H CB 0.165 29.929 29.762 0.003 0.000 1.421 767 H HN 0.424 nan 8.280 nan 0.000 0.555 768 N N 1.462 120.257 118.700 0.158 0.000 3.112 768 N HA 0.107 4.846 4.740 -0.001 0.000 0.270 768 N C 0.842 176.409 175.510 0.095 0.000 1.385 768 N CA 0.012 53.136 53.050 0.124 0.000 0.986 768 N CB 1.063 39.594 38.487 0.074 0.000 1.261 768 N HN 0.226 nan 8.380 nan 0.000 0.495 769 L N -0.287 121.018 121.223 0.137 0.000 2.127 769 L HA 0.189 4.529 4.340 -0.001 0.000 0.203 769 L C 1.069 177.874 176.870 -0.110 0.000 1.080 769 L CA 0.829 55.701 54.840 0.053 0.000 0.768 769 L CB 0.047 42.233 42.059 0.212 0.000 0.924 769 L HN 0.270 nan 8.230 nan 0.000 0.444 770 L N 0.509 121.626 121.223 -0.176 0.000 2.399 770 L HA 0.208 4.547 4.340 -0.001 0.000 0.266 770 L C 0.530 177.396 176.870 -0.008 0.000 1.114 770 L CA -0.279 54.455 54.840 -0.178 0.000 0.804 770 L CB 1.633 43.575 42.059 -0.194 0.000 1.146 770 L HN 0.228 nan 8.230 nan 0.000 0.451 771 S N 1.501 117.208 115.700 0.012 0.000 2.610 771 S HA 0.327 4.796 4.470 -0.001 0.000 0.273 771 S C -2.130 172.542 174.600 0.120 0.000 1.274 771 S CA -1.202 57.042 58.200 0.073 0.000 1.023 771 S CB 1.521 64.748 63.200 0.046 0.000 0.962 771 S HN 0.390 nan 8.310 nan 0.000 0.523 772 P HA 0.123 nan 4.420 nan 0.000 0.222 772 P C 1.356 178.842 177.300 0.311 0.000 1.153 772 P CA 1.139 64.366 63.100 0.212 0.000 0.798 772 P CB -0.065 31.723 31.700 0.147 0.000 0.796 773 A N -0.207 122.719 122.820 0.177 0.000 1.832 773 A HA -0.005 4.314 4.320 -0.001 0.000 0.214 773 A C 1.349 179.079 177.584 0.244 0.000 1.200 773 A CA 1.750 53.912 52.037 0.209 0.000 0.610 773 A CB -1.108 17.929 19.000 0.062 0.000 0.842 773 A HN 0.332 nan 8.150 nan 0.000 0.444 774 S N -2.641 113.140 115.700 0.136 0.000 2.607 774 S HA 0.552 5.021 4.470 -0.001 0.000 0.303 774 S C 0.765 175.407 174.600 0.070 0.000 1.086 774 S CA -0.009 58.250 58.200 0.098 0.000 0.995 774 S CB 1.489 64.684 63.200 -0.009 0.000 1.084 774 S HN 0.779 nan 8.310 nan 0.000 0.507 775 G N 0.443 109.266 108.800 0.037 0.000 2.956 775 G HA2 0.163 4.123 3.960 -0.001 0.000 0.207 775 G HA3 0.163 4.123 3.960 -0.001 0.000 0.207 775 G C 0.070 174.825 174.900 -0.243 0.000 1.162 775 G CA -0.105 44.981 45.100 -0.023 0.000 0.796 775 G HN 0.655 nan 8.290 nan 0.000 0.527 776 E N 1.041 121.080 120.200 -0.268 0.000 2.331 776 E HA 0.270 4.619 4.350 -0.001 0.000 0.272 776 E C -2.376 174.112 176.600 -0.186 0.000 1.036 776 E CA -2.759 53.442 56.400 -0.331 0.000 0.864 776 E CB 0.818 30.355 29.700 -0.273 0.000 1.035 776 E HN 0.021 nan 8.360 nan 0.000 0.408 777 P HA 0.025 nan 4.420 nan 0.000 0.270 777 P C 0.245 177.508 177.300 -0.063 0.000 1.223 777 P CA -0.112 62.910 63.100 -0.131 0.000 0.785 777 P CB 0.525 32.176 31.700 -0.081 0.000 0.923 778 L N 1.492 122.697 121.223 -0.031 0.000 2.817 778 L HA 0.334 4.674 4.340 -0.001 0.000 0.248 778 L C 1.374 178.283 176.870 0.065 0.000 1.133 778 L CA 0.590 55.447 54.840 0.028 0.000 0.935 778 L CB -0.262 41.830 42.059 0.055 0.000 1.266 778 L HN 0.332 nan 8.230 nan 0.000 0.535 779 A N -0.211 122.642 122.820 0.055 0.000 2.579 779 A HA 0.178 4.497 4.320 -0.001 0.000 0.273 779 A C 0.476 178.122 177.584 0.103 0.000 1.363 779 A CA -0.299 51.797 52.037 0.097 0.000 0.953 779 A CB -0.784 18.270 19.000 0.090 0.000 1.034 779 A HN 0.151 nan 8.150 nan 0.000 0.536 780 K N 1.327 121.778 120.400 0.086 0.000 2.350 780 K HA 0.236 4.555 4.320 -0.001 0.000 0.279 780 K C -2.661 174.004 176.600 0.108 0.000 1.027 780 K CA -1.509 54.828 56.287 0.082 0.000 0.969 780 K CB 0.269 32.802 32.500 0.056 0.000 0.954 780 K HN 0.110 nan 8.250 nan 0.000 0.474 781 P HA -0.074 nan 4.420 nan 0.000 0.262 781 P C -0.533 176.843 177.300 0.127 0.000 1.182 781 P CA 0.322 63.498 63.100 0.126 0.000 0.761 781 P CB 0.654 32.423 31.700 0.115 0.000 0.795 782 S N 4.081 119.878 115.700 0.161 0.000 2.632 782 S HA 0.217 4.686 4.470 -0.001 0.000 0.267 782 S C 1.580 176.255 174.600 0.125 0.000 1.193 782 S CA -0.775 57.507 58.200 0.138 0.000 1.003 782 S CB 0.373 63.666 63.200 0.156 0.000 1.073 782 S HN 0.368 nan 8.310 nan 0.000 0.553 783 R N 1.404 121.956 120.500 0.086 0.000 2.113 783 R HA -0.200 4.140 4.340 -0.001 0.000 0.244 783 R C 1.365 177.714 176.300 0.081 0.000 1.142 783 R CA 2.208 58.339 56.100 0.052 0.000 0.953 783 R CB -1.543 28.770 30.300 0.022 0.000 0.860 783 R HN 0.690 nan 8.270 nan 0.000 0.438 784 D N 0.779 121.256 120.400 0.128 0.000 2.077 784 D HA -0.094 4.545 4.640 -0.001 0.000 0.196 784 D C 2.026 178.500 176.300 0.290 0.000 0.986 784 D CA 1.414 55.511 54.000 0.161 0.000 0.829 784 D CB -0.231 40.626 40.800 0.094 0.000 0.983 784 D HN 0.120 nan 8.370 nan 0.000 0.453 785 I N 0.768 121.588 120.570 0.416 0.000 2.163 785 I HA -0.220 3.949 4.170 -0.001 0.000 0.243 785 I C 2.242 178.492 176.117 0.221 0.000 1.085 785 I CA 1.071 62.563 61.300 0.320 0.000 1.347 785 I CB -0.627 37.471 38.000 0.163 0.000 1.044 785 I HN 0.089 nan 8.210 nan 0.000 0.408 786 I N -0.287 120.384 120.570 0.169 0.000 2.208 786 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 786 I C 2.471 178.679 176.117 0.151 0.000 1.097 786 I CA 1.149 62.529 61.300 0.134 0.000 1.363 786 I CB -0.436 37.609 38.000 0.075 0.000 1.051 786 I HN 0.228 nan 8.210 nan 0.000 0.413 787 L N 1.172 122.463 121.223 0.113 0.000 2.079 787 L HA -0.125 4.214 4.340 -0.001 0.000 0.210 787 L C 2.303 179.308 176.870 0.226 0.000 1.081 787 L CA 2.165 57.062 54.840 0.095 0.000 0.752 787 L CB -1.143 40.943 42.059 0.045 0.000 0.896 787 L HN 0.213 nan 8.230 nan 0.000 0.433 788 G N -1.113 107.846 108.800 0.265 0.000 2.395 788 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.214 788 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.214 788 G C 1.495 176.666 174.900 0.452 0.000 1.177 788 G CA 0.703 46.028 45.100 0.375 0.000 0.794 788 G HN 0.424 nan 8.290 nan 0.000 0.532 789 L N -0.929 120.502 121.223 0.347 0.000 2.291 789 L HA 0.078 4.417 4.340 -0.001 0.000 0.214 789 L C 2.455 179.407 176.870 0.137 0.000 1.120 789 L CA 0.541 55.523 54.840 0.236 0.000 0.799 789 L CB -0.402 41.753 42.059 0.159 0.000 0.925 789 L HN 0.240 nan 8.230 nan 0.000 0.446 790 Y N 0.197 120.544 120.300 0.079 0.000 2.138 790 Y HA -0.315 4.234 4.550 -0.001 0.000 0.286 790 Y C 2.807 178.779 175.900 0.120 0.000 1.115 790 Y CA 1.503 59.629 58.100 0.044 0.000 1.105 790 Y CB -0.640 37.848 38.460 0.048 0.000 1.004 790 Y HN 0.137 nan 8.280 nan 0.000 0.494 791 Y N 0.800 121.368 120.300 0.446 0.000 2.096 791 Y HA -0.379 4.171 4.550 -0.001 0.000 0.276 791 Y C 2.296 178.301 175.900 0.175 0.000 1.209 791 Y CA 2.268 60.635 58.100 0.446 0.000 1.137 791 Y CB -0.945 37.701 38.460 0.311 0.000 0.956 791 Y HN 0.353 nan 8.280 nan 0.000 0.506 792 I N 0.233 120.598 120.570 -0.341 0.000 2.493 792 I HA -0.205 3.964 4.170 -0.001 0.000 0.254 792 I C 1.928 177.831 176.117 -0.357 0.000 1.160 792 I CA 2.115 63.045 61.300 -0.616 0.000 1.445 792 I CB -0.345 37.273 38.000 -0.637 0.000 1.086 792 I HN 0.617 nan 8.210 nan 0.000 0.433 793 T N -2.177 112.238 114.554 -0.231 0.000 3.040 793 T HA 0.063 4.413 4.350 -0.001 0.000 0.250 793 T C 0.818 175.417 174.700 -0.169 0.000 1.058 793 T CA -0.310 61.673 62.100 -0.194 0.000 0.988 793 T CB -0.045 68.673 68.868 -0.250 0.000 0.993 793 T HN 0.227 nan 8.240 nan 0.000 0.519 794 Q N 1.661 121.389 119.800 -0.120 0.000 2.340 794 Q HA 0.479 4.818 4.340 -0.001 0.000 0.249 794 Q C -0.869 175.166 176.000 0.058 0.000 0.957 794 Q CA -0.357 55.416 55.803 -0.050 0.000 0.882 794 Q CB 1.220 29.995 28.738 0.061 0.000 1.235 794 Q HN 0.267 nan 8.270 nan 0.000 0.439 795 V N 4.716 124.654 119.914 0.039 0.000 2.532 795 V HA 0.549 4.669 4.120 -0.001 0.000 0.295 795 V C -0.075 176.090 176.094 0.118 0.000 1.041 795 V CA -0.667 61.670 62.300 0.061 0.000 0.926 795 V CB 1.498 33.337 31.823 0.026 0.000 0.992 795 V HN 0.812 nan 8.190 nan 0.000 0.457 796 R N 2.799 123.371 120.500 0.119 0.000 2.668 796 R HA 0.839 5.178 4.340 -0.001 0.000 0.279 796 R C -1.305 175.044 176.300 0.082 0.000 0.976 796 R CA -1.119 55.064 56.100 0.139 0.000 0.978 796 R CB 1.247 31.632 30.300 0.141 0.000 1.133 796 R HN 0.382 nan 8.270 nan 0.000 0.484 797 K N 0.531 120.975 120.400 0.075 0.000 2.422 797 K HA 0.231 4.551 4.320 -0.001 0.000 0.251 797 K C -0.267 176.358 176.600 0.042 0.000 0.933 797 K CA -0.608 55.706 56.287 0.046 0.000 0.798 797 K CB 2.158 34.677 32.500 0.032 0.000 1.238 797 K HN 0.748 nan 8.250 nan 0.000 0.428 798 E N 1.651 121.868 120.200 0.029 0.000 3.596 798 E HA 0.193 4.542 4.350 -0.001 0.000 0.188 798 E C -0.728 175.878 176.600 0.010 0.000 1.232 798 E CA 0.214 56.629 56.400 0.025 0.000 1.460 798 E CB 0.785 30.504 29.700 0.031 0.000 1.513 798 E HN 0.328 nan 8.360 nan 0.000 0.530 799 K N 0.570 120.974 120.400 0.007 0.000 2.550 799 K HA 0.219 4.538 4.320 -0.001 0.000 0.252 799 K C -1.643 174.952 176.600 -0.007 0.000 0.943 799 K CA -0.601 55.685 56.287 -0.002 0.000 0.806 799 K CB 1.784 34.283 32.500 -0.001 0.000 1.289 799 K HN -0.122 nan 8.250 nan 0.000 0.435 800 K N 3.453 123.845 120.400 -0.013 0.000 2.621 800 K HA 0.333 4.652 4.320 -0.001 0.000 0.233 800 K C -0.490 176.095 176.600 -0.026 0.000 0.972 800 K CA -0.234 56.040 56.287 -0.021 0.000 0.988 800 K CB 1.375 33.865 32.500 -0.017 0.000 1.187 800 K HN 0.873 nan 8.250 nan 0.000 0.471 801 G N 1.837 110.618 108.800 -0.032 0.000 2.727 801 G HA2 0.226 4.185 3.960 -0.001 0.000 0.203 801 G HA3 0.226 4.185 3.960 -0.001 0.000 0.203 801 G C 0.016 174.890 174.900 -0.044 0.000 1.117 801 G CA 0.294 45.375 45.100 -0.031 0.000 0.817 801 G HN 0.600 nan 8.290 nan 0.000 0.553 802 A N 0.294 123.076 122.820 -0.063 0.000 2.306 802 A HA 0.692 5.012 4.320 -0.001 0.000 0.330 802 A C 0.927 178.417 177.584 -0.157 0.000 1.146 802 A CA 0.091 52.070 52.037 -0.097 0.000 0.827 802 A CB 0.365 19.305 19.000 -0.100 0.000 1.178 802 A HN 1.262 nan 8.150 nan 0.000 0.490 803 G N -0.066 108.624 108.800 -0.184 0.000 2.886 803 G HA2 0.096 4.056 3.960 -0.001 0.000 0.276 803 G HA3 0.096 4.056 3.960 -0.001 0.000 0.276 803 G C 0.484 175.250 174.900 -0.224 0.000 0.382 803 G CA 0.712 45.685 45.100 -0.212 0.000 1.168 803 G HN 1.803 nan 8.290 nan 0.000 0.205 804 L N -1.058 120.114 121.223 -0.084 0.000 2.959 804 L HA 0.493 4.833 4.340 -0.001 0.000 0.259 804 L C 0.525 177.430 176.870 0.058 0.000 1.185 804 L CA -0.271 54.560 54.840 -0.014 0.000 0.998 804 L CB 0.387 42.443 42.059 -0.006 0.000 1.337 804 L HN 0.477 nan 8.230 nan 0.000 0.555 805 E N 0.535 120.783 120.200 0.080 0.000 2.341 805 E HA 0.049 4.398 4.350 -0.001 0.000 0.279 805 E C 0.576 177.262 176.600 0.143 0.000 1.395 805 E CA -0.332 56.121 56.400 0.088 0.000 1.648 805 E CB 0.130 29.859 29.700 0.049 0.000 1.524 805 E HN 0.454 nan 8.360 nan 0.000 0.462 806 F N 1.978 121.988 119.950 0.100 0.000 2.269 806 F HA -0.104 4.423 4.527 -0.001 0.000 0.301 806 F C 2.092 177.908 175.800 0.027 0.000 1.082 806 F CA 1.032 59.075 58.000 0.072 0.000 1.360 806 F CB -0.082 38.947 39.000 0.048 0.000 1.041 806 F HN 0.274 nan 8.300 nan 0.000 0.512 807 A N 0.073 122.725 122.820 -0.279 0.000 2.001 807 A HA -0.351 3.968 4.320 -0.001 0.000 0.224 807 A C 2.139 179.444 177.584 -0.464 0.000 1.203 807 A CA 3.296 55.124 52.037 -0.349 0.000 0.667 807 A CB -1.459 17.466 19.000 -0.126 0.000 0.823 807 A HN 0.588 nan 8.150 nan 0.000 0.473 808 T N -4.107 110.227 114.554 -0.367 0.000 3.238 808 T HA 0.300 4.649 4.350 -0.001 0.000 0.242 808 T C -1.758 172.788 174.700 -0.257 0.000 0.980 808 T CA -0.028 61.912 62.100 -0.266 0.000 1.235 808 T CB -1.500 67.287 68.868 -0.134 0.000 1.069 808 T HN 0.315 nan 8.240 nan 0.000 0.407 809 P HA 0.396 nan 4.420 nan 0.000 0.271 809 P C -0.271 176.994 177.300 -0.059 0.000 1.218 809 P CA -0.120 62.926 63.100 -0.089 0.000 0.780 809 P CB 0.733 32.416 31.700 -0.028 0.000 0.901 810 E N 0.214 120.408 120.200 -0.010 0.000 2.442 810 E HA -0.055 4.295 4.350 -0.001 0.000 0.195 810 E C 1.285 177.903 176.600 0.030 0.000 1.030 810 E CA 0.517 56.953 56.400 0.061 0.000 0.869 810 E CB -0.142 29.578 29.700 0.032 0.000 0.857 810 E HN 0.470 nan 8.360 nan 0.000 0.505 811 E N 0.575 120.764 120.200 -0.018 0.000 2.318 811 E HA 0.133 4.482 4.350 -0.001 0.000 0.193 811 E C 1.806 178.291 176.600 -0.191 0.000 0.998 811 E CA 0.718 57.079 56.400 -0.066 0.000 0.859 811 E CB 0.000 29.675 29.700 -0.042 0.000 0.812 811 E HN 0.290 nan 8.360 nan 0.000 0.492 812 A N 0.303 123.022 122.820 -0.169 0.000 1.969 812 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 812 A C 1.998 179.405 177.584 -0.296 0.000 1.169 812 A CA 1.295 53.080 52.037 -0.420 0.000 0.635 812 A CB -0.553 18.474 19.000 0.045 0.000 0.810 812 A HN 0.327 nan 8.150 nan 0.000 0.445 813 L N -1.605 119.667 121.223 0.081 0.000 2.023 813 L HA 0.202 4.541 4.340 -0.001 0.000 0.205 813 L C 2.512 179.282 176.870 -0.166 0.000 1.073 813 L CA 1.887 56.687 54.840 -0.067 0.000 0.745 813 L CB -1.497 40.563 42.059 0.002 0.000 0.900 813 L HN 0.141 nan 8.230 nan 0.000 0.435 814 A N 0.614 123.361 122.820 -0.123 0.000 1.835 814 A HA -0.016 4.303 4.320 -0.001 0.000 0.215 814 A C 2.575 180.090 177.584 -0.114 0.000 1.199 814 A CA 2.394 54.368 52.037 -0.106 0.000 0.615 814 A CB -1.418 17.540 19.000 -0.070 0.000 0.838 814 A HN 0.569 nan 8.150 nan 0.000 0.444 815 A N -0.612 122.111 122.820 -0.163 0.000 1.884 815 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 815 A C 1.890 179.514 177.584 0.068 0.000 1.197 815 A CA 1.992 53.983 52.037 -0.077 0.000 0.637 815 A CB -1.085 17.852 19.000 -0.105 0.000 0.827 815 A HN 0.694 nan 8.150 nan 0.000 0.450 816 H N -0.759 118.311 119.070 0.000 0.000 2.547 816 H HA 0.113 4.668 4.556 -0.001 0.000 0.266 816 H C 1.652 176.949 175.328 -0.052 0.000 0.988 816 H CA 0.901 56.941 56.048 -0.013 0.000 1.147 816 H CB -0.231 29.540 29.762 0.014 0.000 1.365 816 H HN 0.848 nan 8.280 nan 0.000 0.589 817 E N 1.276 121.467 120.200 -0.014 0.000 2.190 817 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 817 E C 1.696 178.266 176.600 -0.049 0.000 0.978 817 E CA 0.029 56.385 56.400 -0.073 0.000 0.839 817 E CB 0.347 29.971 29.700 -0.127 0.000 0.787 817 E HN 0.259 nan 8.360 nan 0.000 0.473 818 R N -0.137 120.349 120.500 -0.022 0.000 2.127 818 R HA 0.063 4.402 4.340 -0.001 0.000 0.217 818 R C 2.397 178.703 176.300 0.009 0.000 1.074 818 R CA 0.834 56.928 56.100 -0.010 0.000 0.991 818 R CB -0.146 30.151 30.300 -0.006 0.000 0.895 818 R HN 0.192 nan 8.270 nan 0.000 0.450 819 G N 1.375 110.197 108.800 0.037 0.000 2.432 819 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.219 819 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.219 819 G C 1.340 176.252 174.900 0.020 0.000 1.135 819 G CA 0.438 45.563 45.100 0.041 0.000 0.767 819 G HN 0.241 nan 8.290 nan 0.000 0.550 820 E N 0.840 121.048 120.200 0.012 0.000 2.046 820 E HA -0.079 4.270 4.350 -0.001 0.000 0.190 820 E C 2.691 179.286 176.600 -0.007 0.000 0.982 820 E CA 0.913 57.311 56.400 -0.004 0.000 0.800 820 E CB -0.430 29.255 29.700 -0.025 0.000 0.756 820 E HN 0.229 nan 8.360 nan 0.000 0.449 821 V N 1.887 121.793 119.914 -0.014 0.000 2.453 821 V HA -0.229 3.890 4.120 -0.001 0.000 0.252 821 V C 2.029 178.124 176.094 0.002 0.000 1.068 821 V CA 1.460 63.754 62.300 -0.009 0.000 1.070 821 V CB -1.017 30.797 31.823 -0.016 0.000 0.664 821 V HN 0.371 nan 8.190 nan 0.000 0.461 822 A N -0.750 122.072 122.820 0.004 0.000 2.662 822 A HA 0.316 4.636 4.320 -0.001 0.000 0.234 822 A C 1.338 178.928 177.584 0.009 0.000 1.851 822 A CA 0.751 52.793 52.037 0.008 0.000 0.877 822 A CB -0.139 18.867 19.000 0.010 0.000 1.697 822 A HN 0.273 nan 8.150 nan 0.000 0.700 823 L N -1.559 119.669 121.223 0.008 0.000 2.817 823 L HA 0.178 4.518 4.340 -0.001 0.000 0.248 823 L C 1.753 178.626 176.870 0.005 0.000 1.133 823 L CA 0.208 55.053 54.840 0.008 0.000 0.935 823 L CB -0.173 41.891 42.059 0.009 0.000 1.266 823 L HN 0.751 nan 8.230 nan 0.000 0.535 824 N N 0.260 118.962 118.700 0.003 0.000 2.039 824 N HA -0.046 4.694 4.740 -0.001 0.000 0.193 824 N C 0.652 176.158 175.510 -0.007 0.000 1.044 824 N CA 0.952 54.000 53.050 -0.003 0.000 0.847 824 N CB 0.057 38.542 38.487 -0.004 0.000 1.030 824 N HN 0.254 nan 8.380 nan 0.000 0.422 825 A N 1.622 124.440 122.820 -0.003 0.000 2.271 825 A HA 0.495 4.814 4.320 -0.001 0.000 0.317 825 A C -2.406 175.178 177.584 0.000 0.000 1.245 825 A CA -1.396 50.638 52.037 -0.005 0.000 0.857 825 A CB 1.085 20.085 19.000 0.000 0.000 1.175 825 A HN 0.020 nan 8.150 nan 0.000 0.512 826 P HA 0.199 nan 4.420 nan 0.000 0.274 826 P C 0.537 177.841 177.300 0.008 0.000 1.260 826 P CA -0.330 62.776 63.100 0.010 0.000 0.793 826 P CB 0.457 32.165 31.700 0.014 0.000 1.048 827 I N -0.691 119.890 120.570 0.019 0.000 3.111 827 I HA -0.071 4.099 4.170 -0.001 0.000 0.272 827 I C 0.918 177.048 176.117 0.021 0.000 1.268 827 I CA 1.230 62.542 61.300 0.020 0.000 1.467 827 I CB -1.005 37.028 38.000 0.055 0.000 1.087 827 I HN 0.234 nan 8.210 nan 0.000 0.467 828 K N 0.822 121.236 120.400 0.024 0.000 2.753 828 K HA 0.602 4.922 4.320 -0.001 0.000 0.185 828 K C -1.178 175.435 176.600 0.021 0.000 1.071 828 K CA -0.374 55.930 56.287 0.027 0.000 0.999 828 K CB 1.056 33.579 32.500 0.038 0.000 1.244 828 K HN -0.129 nan 8.250 nan 0.000 0.594 829 V N 1.496 121.420 119.914 0.016 0.000 2.483 829 V HA 0.406 4.525 4.120 -0.001 0.000 0.295 829 V C 0.400 176.505 176.094 0.018 0.000 1.035 829 V CA -0.889 61.419 62.300 0.013 0.000 0.896 829 V CB 1.615 33.442 31.823 0.007 0.000 0.986 829 V HN 0.768 nan 8.190 nan 0.000 0.447 830 A N 3.840 126.668 122.820 0.014 0.000 2.618 830 A HA 0.503 4.822 4.320 -0.001 0.000 0.293 830 A C 0.770 178.368 177.584 0.023 0.000 1.413 830 A CA 0.611 52.658 52.037 0.017 0.000 1.074 830 A CB -0.828 18.177 19.000 0.009 0.000 1.087 830 A HN 1.187 nan 8.150 nan 0.000 0.553 831 G N 2.127 110.951 108.800 0.039 0.000 3.171 831 G HA2 0.417 4.376 3.960 -0.001 0.000 0.305 831 G HA3 0.417 4.376 3.960 -0.001 0.000 0.305 831 G C 0.446 175.392 174.900 0.076 0.000 1.584 831 G CA -0.175 44.963 45.100 0.064 0.000 1.070 831 G HN 0.866 nan 8.290 nan 0.000 0.535 832 R N 1.092 121.626 120.500 0.057 0.000 2.467 832 R HA -0.345 3.994 4.340 -0.001 0.000 0.188 832 R C 2.106 178.445 176.300 0.066 0.000 0.993 832 R CA 2.877 59.007 56.100 0.049 0.000 0.511 832 R CB -0.427 29.893 30.300 0.034 0.000 0.776 832 R HN 0.466 nan 8.270 nan 0.000 0.297 833 E N -0.684 119.566 120.200 0.083 0.000 2.019 833 E HA -0.116 4.233 4.350 -0.001 0.000 0.208 833 E C 0.098 176.778 176.600 0.133 0.000 1.030 833 E CA 2.218 58.684 56.400 0.109 0.000 0.856 833 E CB -0.075 29.705 29.700 0.134 0.000 0.781 833 E HN 0.710 nan 8.360 nan 0.000 0.471 834 T N -1.961 112.712 114.554 0.198 0.000 3.143 834 T HA 0.400 4.750 4.350 -0.001 0.000 0.312 834 T C -0.346 174.393 174.700 0.065 0.000 0.986 834 T CA -0.672 61.494 62.100 0.110 0.000 1.024 834 T CB 1.592 70.507 68.868 0.079 0.000 1.030 834 T HN 0.103 nan 8.240 nan 0.000 0.448 835 S N 1.673 117.391 115.700 0.030 0.000 2.573 835 S HA 0.132 4.601 4.470 -0.001 0.000 0.277 835 S C 1.728 176.298 174.600 -0.051 0.000 1.346 835 S CA -0.283 57.922 58.200 0.009 0.000 1.034 835 S CB 0.923 64.130 63.200 0.012 0.000 0.879 835 S HN 0.773 nan 8.310 nan 0.000 0.528 836 V N 5.308 125.186 119.914 -0.061 0.000 2.527 836 V HA -0.119 4.000 4.120 -0.001 0.000 0.255 836 V C 2.194 178.202 176.094 -0.144 0.000 1.081 836 V CA 2.739 64.963 62.300 -0.126 0.000 1.092 836 V CB -1.373 30.398 31.823 -0.087 0.000 0.673 836 V HN 1.056 nan 8.190 nan 0.000 0.470 837 G N -0.307 108.446 108.800 -0.079 0.000 2.475 837 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.220 837 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.220 837 G C 1.580 176.431 174.900 -0.081 0.000 1.125 837 G CA 1.038 46.107 45.100 -0.050 0.000 0.755 837 G HN 0.533 nan 8.290 nan 0.000 0.565 838 R N -0.802 119.636 120.500 -0.103 0.000 2.127 838 R HA 0.271 4.610 4.340 -0.001 0.000 0.217 838 R C 2.298 178.477 176.300 -0.202 0.000 1.074 838 R CA 0.056 56.081 56.100 -0.126 0.000 0.991 838 R CB -0.753 29.497 30.300 -0.084 0.000 0.895 838 R HN 0.259 nan 8.270 nan 0.000 0.450 839 L N 1.244 122.313 121.223 -0.257 0.000 2.046 839 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 839 L C 1.557 178.235 176.870 -0.319 0.000 1.077 839 L CA 1.866 56.509 54.840 -0.328 0.000 0.747 839 L CB -0.315 41.486 42.059 -0.430 0.000 0.896 839 L HN 0.059 nan 8.230 nan 0.000 0.432 840 K N -1.803 118.359 120.400 -0.397 0.000 2.026 840 K HA -0.114 4.206 4.320 -0.001 0.000 0.208 840 K C -0.141 176.085 176.600 -0.624 0.000 1.048 840 K CA 1.235 57.155 56.287 -0.611 0.000 0.929 840 K CB -0.246 31.661 32.500 -0.989 0.000 0.713 840 K HN 0.175 nan 8.250 nan 0.000 0.439 841 Y N 0.338 120.511 120.300 -0.210 0.000 2.364 841 Y HA 0.415 4.964 4.550 -0.001 0.000 0.340 841 Y C -0.701 174.810 175.900 -0.649 0.000 0.975 841 Y CA -1.463 56.406 58.100 -0.385 0.000 1.089 841 Y CB 1.839 40.070 38.460 -0.382 0.000 1.192 841 Y HN -0.323 nan 8.280 nan 0.000 0.454 842 V N 2.945 122.597 119.914 -0.437 0.000 2.577 842 V HA 0.488 4.607 4.120 -0.001 0.000 0.303 842 V C -0.947 175.009 176.094 -0.231 0.000 1.042 842 V CA -1.327 60.746 62.300 -0.378 0.000 0.872 842 V CB 1.427 33.174 31.823 -0.127 0.000 0.998 842 V HN 0.611 nan 8.190 nan 0.000 0.423 843 F N 2.001 121.981 119.950 0.050 0.000 2.449 843 F HA 0.729 5.255 4.527 -0.001 0.000 0.342 843 F C 1.222 177.028 175.800 0.010 0.000 1.127 843 F CA -0.760 57.256 58.000 0.026 0.000 0.975 843 F CB 2.128 41.139 39.000 0.019 0.000 1.146 843 F HN 0.678 nan 8.300 nan 0.000 0.444 844 A N 3.222 126.156 122.820 0.191 0.000 2.037 844 A HA -0.127 4.192 4.320 -0.001 0.000 0.200 844 A C 0.830 178.441 177.584 0.045 0.000 1.230 844 A CA 1.030 53.118 52.037 0.086 0.000 0.695 844 A CB -0.611 18.424 19.000 0.057 0.000 0.883 844 A HN 0.720 nan 8.150 nan 0.000 0.502 845 N N -0.201 118.505 118.700 0.010 0.000 2.371 845 N HA 0.259 4.998 4.740 -0.001 0.000 0.243 845 N C -1.974 173.504 175.510 -0.054 0.000 1.287 845 N CA -1.197 51.825 53.050 -0.047 0.000 0.911 845 N CB 0.552 39.008 38.487 -0.053 0.000 1.142 845 N HN -0.018 nan 8.380 nan 0.000 0.451 846 P HA -0.086 nan 4.420 nan 0.000 0.215 846 P C 0.065 177.327 177.300 -0.065 0.000 1.157 846 P CA 1.413 64.440 63.100 -0.122 0.000 0.868 846 P CB 0.140 31.687 31.700 -0.256 0.000 0.788 847 D N -0.358 119.997 120.400 -0.074 0.000 2.126 847 D HA -0.209 4.430 4.640 -0.001 0.000 0.190 847 D C 1.848 178.091 176.300 -0.096 0.000 1.001 847 D CA 1.094 55.056 54.000 -0.064 0.000 0.841 847 D CB -0.711 40.056 40.800 -0.053 0.000 0.949 847 D HN 0.214 nan 8.370 nan 0.000 0.446 848 E N 0.567 120.707 120.200 -0.100 0.000 2.169 848 E HA -0.285 4.064 4.350 -0.001 0.000 0.202 848 E C 2.185 178.556 176.600 -0.381 0.000 1.016 848 E CA 1.284 57.586 56.400 -0.162 0.000 0.817 848 E CB -0.403 29.254 29.700 -0.072 0.000 0.736 848 E HN 0.407 nan 8.360 nan 0.000 0.462 849 A N 0.641 123.270 122.820 -0.318 0.000 1.933 849 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 849 A C 2.245 179.595 177.584 -0.391 0.000 1.175 849 A CA 1.224 52.970 52.037 -0.485 0.000 0.628 849 A CB -0.356 18.653 19.000 0.014 0.000 0.814 849 A HN 0.155 nan 8.150 nan 0.000 0.444 850 L N -0.589 120.514 121.223 -0.200 0.000 2.307 850 L HA 0.083 4.422 4.340 -0.001 0.000 0.211 850 L C 2.127 178.914 176.870 -0.139 0.000 1.099 850 L CA 0.613 55.377 54.840 -0.126 0.000 0.816 850 L CB -0.457 41.576 42.059 -0.042 0.000 0.952 850 L HN 0.301 nan 8.230 nan 0.000 0.455 851 L N -0.528 120.603 121.223 -0.153 0.000 2.201 851 L HA -0.074 4.265 4.340 -0.001 0.000 0.212 851 L C 2.651 179.475 176.870 -0.077 0.000 1.105 851 L CA 0.911 55.691 54.840 -0.099 0.000 0.775 851 L CB -0.923 41.102 42.059 -0.058 0.000 0.913 851 L HN 0.258 nan 8.230 nan 0.000 0.440 852 A N -0.044 122.642 122.820 -0.223 0.000 1.968 852 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 852 A C 2.318 179.805 177.584 -0.162 0.000 1.169 852 A CA 1.074 52.965 52.037 -0.243 0.000 0.638 852 A CB -0.482 18.175 19.000 -0.572 0.000 0.812 852 A HN 0.184 nan 8.150 nan 0.000 0.446 853 V N -0.174 119.641 119.914 -0.165 0.000 2.453 853 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 853 V C 2.968 179.021 176.094 -0.068 0.000 1.048 853 V CA 1.691 63.933 62.300 -0.096 0.000 1.049 853 V CB -1.140 30.636 31.823 -0.079 0.000 0.672 853 V HN 0.559 nan 8.190 nan 0.000 0.457 854 A N -1.330 121.433 122.820 -0.095 0.000 2.015 854 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 854 A C 1.999 179.472 177.584 -0.185 0.000 1.163 854 A CA 1.400 53.354 52.037 -0.139 0.000 0.646 854 A CB -0.622 18.259 19.000 -0.198 0.000 0.806 854 A HN 0.651 nan 8.150 nan 0.000 0.448 855 H N -1.431 117.601 119.070 -0.064 0.000 2.539 855 H HA 0.224 4.779 4.556 -0.001 0.000 0.269 855 H C 1.630 176.929 175.328 -0.048 0.000 0.980 855 H CA 0.651 56.665 56.048 -0.055 0.000 1.152 855 H CB 0.209 29.928 29.762 -0.070 0.000 1.407 855 H HN 0.610 nan 8.280 nan 0.000 0.564 856 G N 1.005 109.828 108.800 0.038 0.000 2.141 856 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.242 856 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.242 856 G C 1.074 175.977 174.900 0.005 0.000 0.982 856 G CA 0.428 45.539 45.100 0.020 0.000 0.662 856 G HN 0.289 nan 8.290 nan 0.000 0.527 857 I N 0.152 120.701 120.570 -0.034 0.000 2.406 857 I HA 0.144 4.313 4.170 -0.001 0.000 0.249 857 I C 1.459 177.520 176.117 -0.092 0.000 1.122 857 I CA 1.723 62.963 61.300 -0.099 0.000 1.431 857 I CB -0.856 36.998 38.000 -0.244 0.000 1.087 857 I HN 0.550 nan 8.210 nan 0.000 0.424 858 V N -1.605 118.266 119.914 -0.072 0.000 2.686 858 V HA 0.539 4.658 4.120 -0.001 0.000 0.306 858 V C -0.713 175.378 176.094 -0.006 0.000 1.065 858 V CA -1.166 61.132 62.300 -0.003 0.000 0.894 858 V CB 2.342 34.196 31.823 0.052 0.000 1.004 858 V HN -0.122 nan 8.190 nan 0.000 0.424 859 D N 1.904 122.307 120.400 0.005 0.000 2.357 859 D HA 0.418 5.057 4.640 -0.001 0.000 0.242 859 D C 1.085 177.355 176.300 -0.049 0.000 1.153 859 D CA -0.093 53.890 54.000 -0.028 0.000 0.918 859 D CB 1.608 42.386 40.800 -0.036 0.000 1.181 859 D HN 0.616 nan 8.370 nan 0.000 0.435 860 L N 1.195 122.354 121.223 -0.106 0.000 2.291 860 L HA -0.133 4.207 4.340 -0.001 0.000 0.214 860 L C 1.698 178.479 176.870 -0.149 0.000 1.120 860 L CA 0.966 55.724 54.840 -0.137 0.000 0.799 860 L CB -0.169 41.755 42.059 -0.225 0.000 0.925 860 L HN 0.341 nan 8.230 nan 0.000 0.446 861 Q N -0.807 118.890 119.800 -0.171 0.000 2.403 861 Q HA 0.048 4.388 4.340 -0.001 0.000 0.203 861 Q C -0.217 175.768 176.000 -0.024 0.000 0.932 861 Q CA 0.266 55.997 55.803 -0.120 0.000 0.945 861 Q CB -0.012 28.630 28.738 -0.158 0.000 1.045 861 Q HN 0.296 nan 8.270 nan 0.000 0.511 862 D N -0.164 120.233 120.400 -0.005 0.000 2.312 862 D HA 0.167 4.806 4.640 -0.001 0.000 0.248 862 D C -0.526 175.805 176.300 0.052 0.000 1.086 862 D CA -0.503 53.520 54.000 0.038 0.000 0.948 862 D CB 1.293 42.130 40.800 0.062 0.000 1.162 862 D HN -0.156 nan 8.370 nan 0.000 0.446 863 V N 0.754 120.701 119.914 0.054 0.000 2.368 863 V HA 0.490 4.610 4.120 -0.001 0.000 0.266 863 V C 0.313 176.434 176.094 0.046 0.000 1.045 863 V CA -0.543 61.785 62.300 0.046 0.000 0.899 863 V CB 0.578 32.421 31.823 0.034 0.000 1.006 863 V HN 0.231 nan 8.190 nan 0.000 0.470 864 V N 2.660 122.601 119.914 0.046 0.000 3.167 864 V HA 0.622 4.741 4.120 -0.001 0.000 0.310 864 V C 0.107 176.182 176.094 -0.032 0.000 1.207 864 V CA -0.706 61.588 62.300 -0.010 0.000 1.059 864 V CB 2.438 34.267 31.823 0.010 0.000 1.079 864 V HN 0.777 nan 8.190 nan 0.000 0.446 865 T N 1.448 115.926 114.554 -0.127 0.000 2.829 865 T HA 0.750 5.100 4.350 -0.001 0.000 0.282 865 T C -0.656 174.011 174.700 -0.054 0.000 0.990 865 T CA -0.366 61.688 62.100 -0.076 0.000 1.028 865 T CB 1.467 70.278 68.868 -0.094 0.000 0.951 865 T HN 0.529 nan 8.240 nan 0.000 0.460 866 V N 2.603 122.548 119.914 0.053 0.000 2.971 866 V HA 0.544 4.663 4.120 -0.001 0.000 0.309 866 V C -0.294 175.868 176.094 0.113 0.000 1.130 866 V CA -1.203 61.173 62.300 0.127 0.000 0.964 866 V CB 2.260 34.215 31.823 0.219 0.000 1.029 866 V HN 0.691 nan 8.190 nan 0.000 0.427 867 R N 2.367 122.924 120.500 0.095 0.000 2.210 867 R HA 0.337 4.677 4.340 -0.001 0.000 0.338 867 R C -1.439 174.889 176.300 0.047 0.000 1.062 867 R CA -0.004 56.133 56.100 0.062 0.000 0.902 867 R CB 0.228 30.547 30.300 0.031 0.000 1.050 867 R HN 0.771 nan 8.270 nan 0.000 0.461 868 Y N 2.935 123.200 120.300 -0.058 0.000 2.534 868 Y HA 0.084 4.634 4.550 -0.001 0.000 0.338 868 Y C 2.108 177.935 175.900 -0.122 0.000 1.279 868 Y CA -0.297 57.741 58.100 -0.104 0.000 1.436 868 Y CB 0.723 39.078 38.460 -0.174 0.000 1.573 868 Y HN 0.422 nan 8.280 nan 0.000 0.567 869 M N 0.004 119.629 119.600 0.041 0.000 2.153 869 M HA -0.230 4.249 4.480 -0.001 0.000 0.253 869 M C 1.061 177.342 176.300 -0.033 0.000 1.081 869 M CA 2.467 57.748 55.300 -0.032 0.000 1.076 869 M CB -1.046 31.547 32.600 -0.013 0.000 1.350 869 M HN 0.875 nan 8.290 nan 0.000 0.401 870 G N -0.761 108.022 108.800 -0.029 0.000 3.941 870 G HA2 0.194 4.153 3.960 -0.001 0.000 0.222 870 G HA3 0.194 4.153 3.960 -0.001 0.000 0.222 870 G C -0.054 174.836 174.900 -0.017 0.000 1.118 870 G CA -0.395 44.689 45.100 -0.027 0.000 0.880 870 G HN 0.234 nan 8.290 nan 0.000 0.546 871 K N 0.678 121.069 120.400 -0.015 0.000 2.426 871 K HA 0.505 4.825 4.320 -0.001 0.000 0.251 871 K C -0.434 176.181 176.600 0.024 0.000 0.941 871 K CA -0.831 55.454 56.287 -0.004 0.000 0.808 871 K CB 2.073 34.554 32.500 -0.032 0.000 1.265 871 K HN -0.025 nan 8.250 nan 0.000 0.432 872 R N 2.950 123.465 120.500 0.026 0.000 2.325 872 R HA 0.200 4.539 4.340 -0.001 0.000 0.323 872 R C -0.569 175.753 176.300 0.037 0.000 1.177 872 R CA -0.170 55.950 56.100 0.033 0.000 1.018 872 R CB -0.321 29.994 30.300 0.025 0.000 1.070 872 R HN 0.265 nan 8.270 nan 0.000 0.495 873 L N 2.738 123.991 121.223 0.051 0.000 2.275 873 L HA 0.241 4.580 4.340 -0.001 0.000 0.288 873 L C 0.191 177.091 176.870 0.051 0.000 1.046 873 L CA -0.600 54.269 54.840 0.048 0.000 0.805 873 L CB 1.411 43.493 42.059 0.037 0.000 1.193 873 L HN 0.323 nan 8.230 nan 0.000 0.426 874 E N 2.357 122.582 120.200 0.042 0.000 1.924 874 E HA 0.286 4.635 4.350 -0.001 0.000 0.261 874 E C -1.003 175.624 176.600 0.044 0.000 1.088 874 E CA 0.087 56.508 56.400 0.035 0.000 0.909 874 E CB 0.636 30.354 29.700 0.029 0.000 1.112 874 E HN 0.438 nan 8.360 nan 0.000 0.425 875 T N 0.470 115.059 114.554 0.058 0.000 2.956 875 T HA 0.269 4.618 4.350 -0.001 0.000 0.312 875 T C -0.324 174.423 174.700 0.079 0.000 1.151 875 T CA -1.024 61.114 62.100 0.064 0.000 1.024 875 T CB 1.420 70.330 68.868 0.070 0.000 1.140 875 T HN 0.343 nan 8.240 nan 0.000 0.473 876 S N 2.730 118.467 115.700 0.061 0.000 2.549 876 S HA 0.073 4.542 4.470 -0.001 0.000 0.278 876 S C -1.675 172.968 174.600 0.073 0.000 1.344 876 S CA -0.357 57.878 58.200 0.058 0.000 1.025 876 S CB 0.243 63.454 63.200 0.018 0.000 0.851 876 S HN 0.400 nan 8.310 nan 0.000 0.530 877 P HA 0.082 nan 4.420 nan 0.000 0.216 877 P C 1.732 179.042 177.300 0.015 0.000 1.153 877 P CA 1.494 64.630 63.100 0.060 0.000 0.844 877 P CB -0.470 31.252 31.700 0.037 0.000 0.787 878 G N 0.385 109.154 108.800 -0.051 0.000 2.418 878 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.217 878 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.217 878 G C 1.615 176.507 174.900 -0.013 0.000 1.158 878 G CA 0.469 45.499 45.100 -0.116 0.000 0.771 878 G HN 0.179 nan 8.290 nan 0.000 0.545 879 R N 0.033 120.551 120.500 0.030 0.000 2.115 879 R HA 0.037 4.377 4.340 -0.001 0.000 0.230 879 R C 2.378 178.789 176.300 0.185 0.000 1.111 879 R CA 0.624 56.797 56.100 0.122 0.000 0.976 879 R CB -0.443 29.908 30.300 0.085 0.000 0.870 879 R HN 0.337 nan 8.270 nan 0.000 0.445 880 I N 0.865 121.518 120.570 0.140 0.000 2.439 880 I HA -0.177 3.992 4.170 -0.001 0.000 0.251 880 I C 2.329 178.538 176.117 0.153 0.000 1.139 880 I CA 0.653 62.055 61.300 0.170 0.000 1.438 880 I CB -0.888 37.227 38.000 0.191 0.000 1.085 880 I HN 0.092 nan 8.210 nan 0.000 0.427 881 L N 1.169 122.467 121.223 0.125 0.000 2.027 881 L HA -0.186 4.153 4.340 -0.001 0.000 0.206 881 L C 2.457 179.415 176.870 0.147 0.000 1.074 881 L CA 1.691 56.606 54.840 0.125 0.000 0.745 881 L CB -1.258 40.865 42.059 0.106 0.000 0.898 881 L HN 0.194 nan 8.230 nan 0.000 0.433 882 F N 0.981 120.947 119.950 0.027 0.000 2.120 882 F HA -0.225 4.301 4.527 -0.001 0.000 0.300 882 F C 2.232 178.050 175.800 0.029 0.000 1.095 882 F CA 1.684 59.701 58.000 0.027 0.000 1.249 882 F CB -0.999 38.009 39.000 0.013 0.000 0.995 882 F HN 0.153 nan 8.300 nan 0.000 0.480 883 A N 1.156 123.807 122.820 -0.283 0.000 1.917 883 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 883 A C 2.530 180.001 177.584 -0.189 0.000 1.182 883 A CA 1.882 53.722 52.037 -0.329 0.000 0.633 883 A CB -0.946 18.028 19.000 -0.044 0.000 0.819 883 A HN 0.517 nan 8.150 nan 0.000 0.448 884 R N -0.111 120.350 120.500 -0.065 0.000 2.062 884 R HA -0.085 4.254 4.340 -0.001 0.000 0.231 884 R C 2.069 178.305 176.300 -0.107 0.000 1.136 884 R CA 1.723 57.804 56.100 -0.032 0.000 0.948 884 R CB -0.544 29.771 30.300 0.025 0.000 0.845 884 R HN 0.564 nan 8.270 nan 0.000 0.430 885 I N 0.855 121.321 120.570 -0.173 0.000 2.113 885 I HA -0.360 3.809 4.170 -0.001 0.000 0.242 885 I C 2.462 178.442 176.117 -0.229 0.000 1.057 885 I CA 1.686 62.787 61.300 -0.333 0.000 1.314 885 I CB -0.563 37.192 38.000 -0.408 0.000 1.022 885 I HN 0.027 nan 8.210 nan 0.000 0.408 886 V N 1.039 120.805 119.914 -0.247 0.000 2.307 886 V HA -0.270 3.850 4.120 -0.001 0.000 0.245 886 V C 2.773 178.795 176.094 -0.120 0.000 1.045 886 V CA 1.985 64.168 62.300 -0.195 0.000 1.024 886 V CB -1.152 30.461 31.823 -0.350 0.000 0.651 886 V HN 0.536 nan 8.190 nan 0.000 0.449 887 A N -0.597 122.152 122.820 -0.118 0.000 1.978 887 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 887 A C 2.224 179.792 177.584 -0.027 0.000 1.170 887 A CA 1.798 53.809 52.037 -0.043 0.000 0.636 887 A CB -0.334 18.662 19.000 -0.007 0.000 0.810 887 A HN 0.587 nan 8.150 nan 0.000 0.448 888 E N -0.416 119.760 120.200 -0.040 0.000 2.042 888 E HA -0.008 4.341 4.350 -0.001 0.000 0.189 888 E C 2.499 179.095 176.600 -0.007 0.000 0.974 888 E CA 0.954 57.345 56.400 -0.015 0.000 0.806 888 E CB -0.708 28.987 29.700 -0.008 0.000 0.769 888 E HN 0.514 nan 8.360 nan 0.000 0.451 889 A N 1.692 124.502 122.820 -0.018 0.000 1.929 889 A HA -0.186 4.133 4.320 -0.001 0.000 0.221 889 A C 1.576 179.163 177.584 0.004 0.000 1.211 889 A CA 2.005 54.045 52.037 0.005 0.000 0.657 889 A CB -0.679 18.322 19.000 0.002 0.000 0.827 889 A HN 0.165 nan 8.150 nan 0.000 0.462 890 V N -3.104 116.807 119.914 -0.004 0.000 2.357 890 V HA 0.581 4.700 4.120 -0.001 0.000 0.281 890 V C 0.366 176.459 176.094 -0.001 0.000 1.015 890 V CA 0.054 62.353 62.300 -0.002 0.000 0.827 890 V CB 1.143 32.966 31.823 -0.001 0.000 1.018 890 V HN 0.378 nan 8.190 nan 0.000 0.432 891 E N 2.607 122.807 120.200 0.000 0.000 2.284 891 E HA -0.207 4.142 4.350 -0.001 0.000 0.200 891 E C 0.844 177.449 176.600 0.008 0.000 1.008 891 E CA 1.460 57.862 56.400 0.003 0.000 0.829 891 E CB 0.030 29.731 29.700 0.001 0.000 0.744 891 E HN 0.833 nan 8.360 nan 0.000 0.491 892 D N 0.827 121.233 120.400 0.010 0.000 2.545 892 D HA -0.040 4.599 4.640 -0.001 0.000 0.227 892 D C 0.744 177.065 176.300 0.035 0.000 1.150 892 D CA 0.119 54.131 54.000 0.020 0.000 1.046 892 D CB 0.180 40.990 40.800 0.017 0.000 1.098 892 D HN 0.405 nan 8.370 nan 0.000 0.502 893 E N 1.782 122.004 120.200 0.037 0.000 2.086 893 E HA -0.286 4.063 4.350 -0.001 0.000 0.200 893 E C 1.676 178.339 176.600 0.103 0.000 1.012 893 E CA 1.093 57.527 56.400 0.058 0.000 0.812 893 E CB 0.348 30.079 29.700 0.051 0.000 0.743 893 E HN 0.034 nan 8.360 nan 0.000 0.453 894 K N 0.478 120.941 120.400 0.104 0.000 2.057 894 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 894 K C 2.062 178.787 176.600 0.209 0.000 1.049 894 K CA 1.149 57.540 56.287 0.173 0.000 0.931 894 K CB -0.436 32.141 32.500 0.128 0.000 0.714 894 K HN 0.142 nan 8.250 nan 0.000 0.440 895 V N 1.194 121.176 119.914 0.113 0.000 2.913 895 V HA -0.171 3.949 4.120 -0.001 0.000 0.260 895 V C 2.332 178.462 176.094 0.060 0.000 1.098 895 V CA 1.477 63.821 62.300 0.073 0.000 1.121 895 V CB -0.593 31.252 31.823 0.036 0.000 0.714 895 V HN 0.314 nan 8.190 nan 0.000 0.487 896 A N 0.414 123.282 122.820 0.080 0.000 1.898 896 A HA -0.169 4.150 4.320 -0.001 0.000 0.214 896 A C 2.082 179.709 177.584 0.072 0.000 1.183 896 A CA 1.333 53.396 52.037 0.044 0.000 0.622 896 A CB -0.570 18.441 19.000 0.018 0.000 0.824 896 A HN 0.815 nan 8.150 nan 0.000 0.444 897 W N 1.202 122.458 121.300 -0.073 0.000 2.584 897 W HA 0.011 4.670 4.660 -0.001 0.000 0.264 897 W C 1.236 177.721 176.519 -0.058 0.000 1.264 897 W CA 1.168 58.456 57.345 -0.095 0.000 1.306 897 W CB -0.389 28.994 29.460 -0.128 0.000 1.110 897 W HN 0.521 nan 8.180 nan 0.000 0.606 898 E N 1.981 122.050 120.200 -0.217 0.000 2.150 898 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 898 E C 1.881 178.320 176.600 -0.269 0.000 0.985 898 E CA 2.156 58.332 56.400 -0.373 0.000 0.814 898 E CB -0.291 29.340 29.700 -0.115 0.000 0.752 898 E HN 0.307 nan 8.360 nan 0.000 0.466 899 L N -0.196 120.945 121.223 -0.135 0.000 2.667 899 L HA 0.366 4.706 4.340 -0.001 0.000 0.232 899 L C 0.392 177.240 176.870 -0.038 0.000 1.138 899 L CA -0.275 54.521 54.840 -0.072 0.000 0.921 899 L CB -0.317 41.731 42.059 -0.018 0.000 1.180 899 L HN 0.078 nan 8.230 nan 0.000 0.487 900 I N -1.418 119.111 120.570 -0.068 0.000 2.646 900 I HA 0.585 4.754 4.170 -0.001 0.000 0.299 900 I C -0.798 175.320 176.117 0.002 0.000 1.036 900 I CA -0.814 60.506 61.300 0.033 0.000 1.074 900 I CB 1.999 40.024 38.000 0.042 0.000 1.258 900 I HN 0.179 nan 8.210 nan 0.000 0.430 901 Q N 6.824 126.680 119.800 0.093 0.000 2.431 901 Q HA 0.362 4.701 4.340 -0.001 0.000 0.249 901 Q C -0.117 175.960 176.000 0.129 0.000 1.025 901 Q CA -0.661 55.171 55.803 0.049 0.000 0.835 901 Q CB 1.771 30.517 28.738 0.012 0.000 1.207 901 Q HN 0.967 nan 8.270 nan 0.000 0.490 902 L N -1.060 120.242 121.223 0.132 0.000 2.685 902 L HA 0.368 4.708 4.340 -0.001 0.000 0.233 902 L C -0.581 176.335 176.870 0.077 0.000 1.173 902 L CA -0.146 54.791 54.840 0.161 0.000 0.961 902 L CB 0.127 42.292 42.059 0.177 0.000 1.217 902 L HN 0.228 nan 8.230 nan 0.000 0.478 903 D N 0.840 121.262 120.400 0.037 0.000 2.402 903 D HA 0.251 4.890 4.640 -0.001 0.000 0.216 903 D C 0.203 176.492 176.300 -0.017 0.000 1.128 903 D CA 0.426 54.434 54.000 0.014 0.000 0.833 903 D CB 1.029 41.836 40.800 0.012 0.000 0.971 903 D HN 0.350 nan 8.370 nan 0.000 0.503 904 V N -3.567 116.321 119.914 -0.043 0.000 3.258 904 V HA 0.532 4.652 4.120 -0.001 0.000 0.299 904 V C -3.005 172.987 176.094 -0.171 0.000 1.376 904 V CA -2.472 59.774 62.300 -0.090 0.000 1.063 904 V CB 1.779 33.560 31.823 -0.071 0.000 1.103 904 V HN -0.341 nan 8.190 nan 0.000 0.451 905 P HA 0.305 nan 4.420 nan 0.000 0.276 905 P C -1.100 175.967 177.300 -0.388 0.000 1.230 905 P CA -0.022 62.789 63.100 -0.482 0.000 0.776 905 P CB 0.284 31.449 31.700 -0.891 0.000 0.888 906 Q N 2.103 121.680 119.800 -0.371 0.000 2.300 906 Q HA 0.129 4.469 4.340 -0.001 0.000 0.262 906 Q C 0.347 176.341 176.000 -0.010 0.000 1.109 906 Q CA 0.500 56.155 55.803 -0.246 0.000 0.905 906 Q CB 0.097 28.581 28.738 -0.424 0.000 1.280 906 Q HN 0.474 nan 8.270 nan 0.000 0.426 907 E N 1.776 121.995 120.200 0.031 0.000 2.292 907 E HA 0.063 4.412 4.350 -0.001 0.000 0.258 907 E C 0.607 177.241 176.600 0.058 0.000 1.115 907 E CA -0.423 56.048 56.400 0.119 0.000 0.929 907 E CB 1.131 30.880 29.700 0.083 0.000 1.161 907 E HN 0.476 nan 8.360 nan 0.000 0.453 908 K N 1.167 121.594 120.400 0.045 0.000 2.152 908 K HA -0.175 4.144 4.320 -0.001 0.000 0.206 908 K C 1.271 177.886 176.600 0.025 0.000 1.048 908 K CA 1.617 57.924 56.287 0.034 0.000 0.933 908 K CB 0.102 32.614 32.500 0.019 0.000 0.721 908 K HN 0.249 nan 8.250 nan 0.000 0.447 909 N N -0.064 118.646 118.700 0.016 0.000 2.207 909 N HA -0.121 4.619 4.740 -0.001 0.000 0.182 909 N C 1.703 177.224 175.510 0.018 0.000 1.020 909 N CA 1.321 54.376 53.050 0.008 0.000 0.858 909 N CB -0.538 37.949 38.487 0.001 0.000 0.991 909 N HN 0.185 nan 8.380 nan 0.000 0.427 910 S N 0.310 116.019 115.700 0.015 0.000 2.370 910 S HA -0.073 4.396 4.470 -0.001 0.000 0.226 910 S C 1.821 176.448 174.600 0.045 0.000 1.033 910 S CA 0.863 59.074 58.200 0.018 0.000 1.011 910 S CB -0.206 62.983 63.200 -0.019 0.000 0.852 910 S HN 0.113 nan 8.310 nan 0.000 0.457 911 L N 2.000 123.247 121.223 0.040 0.000 2.044 911 L HA 0.086 4.426 4.340 -0.001 0.000 0.205 911 L C 2.541 179.462 176.870 0.085 0.000 1.075 911 L CA 2.014 56.899 54.840 0.075 0.000 0.747 911 L CB -0.784 41.315 42.059 0.066 0.000 0.903 911 L HN 0.347 nan 8.230 nan 0.000 0.435 912 K N -0.244 120.190 120.400 0.057 0.000 2.089 912 K HA -0.291 4.028 4.320 -0.001 0.000 0.210 912 K C 1.782 178.423 176.600 0.068 0.000 1.048 912 K CA 2.246 58.559 56.287 0.043 0.000 0.926 912 K CB -0.231 32.270 32.500 0.001 0.000 0.714 912 K HN 0.218 nan 8.250 nan 0.000 0.448 913 D N 0.505 120.949 120.400 0.074 0.000 2.144 913 D HA -0.122 4.518 4.640 -0.001 0.000 0.200 913 D C 1.873 178.276 176.300 0.171 0.000 0.978 913 D CA 0.641 54.715 54.000 0.123 0.000 0.833 913 D CB 0.022 40.876 40.800 0.091 0.000 0.961 913 D HN 0.198 nan 8.370 nan 0.000 0.470 914 L N -0.029 121.280 121.223 0.143 0.000 2.027 914 L HA -0.149 4.190 4.340 -0.001 0.000 0.206 914 L C 2.169 179.132 176.870 0.155 0.000 1.074 914 L CA 0.956 55.886 54.840 0.150 0.000 0.745 914 L CB -0.259 41.910 42.059 0.183 0.000 0.898 914 L HN 0.007 nan 8.230 nan 0.000 0.433 915 V N -0.642 119.368 119.914 0.159 0.000 2.255 915 V HA -0.374 3.746 4.120 -0.001 0.000 0.247 915 V C 2.242 178.462 176.094 0.209 0.000 1.051 915 V CA 2.213 64.612 62.300 0.166 0.000 1.018 915 V CB -1.100 30.802 31.823 0.132 0.000 0.641 915 V HN 0.486 nan 8.190 nan 0.000 0.445 916 Y N 1.141 121.468 120.300 0.045 0.000 2.081 916 Y HA -0.352 4.197 4.550 -0.001 0.000 0.280 916 Y C 2.741 178.720 175.900 0.131 0.000 1.163 916 Y CA 2.427 60.548 58.100 0.035 0.000 1.135 916 Y CB -0.665 37.778 38.460 -0.027 0.000 0.970 916 Y HN 0.241 nan 8.280 nan 0.000 0.498 917 Q N 0.305 120.147 119.800 0.070 0.000 2.014 917 Q HA -0.214 4.125 4.340 -0.001 0.000 0.207 917 Q C 2.483 178.483 176.000 0.000 0.000 0.993 917 Q CA 2.501 58.288 55.803 -0.026 0.000 0.850 917 Q CB -0.990 27.778 28.738 0.051 0.000 0.916 917 Q HN 0.581 nan 8.270 nan 0.000 0.417 918 A N -0.577 122.285 122.820 0.069 0.000 1.948 918 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 918 A C 2.015 179.649 177.584 0.083 0.000 1.177 918 A CA 1.612 53.691 52.037 0.071 0.000 0.636 918 A CB -1.053 18.006 19.000 0.099 0.000 0.815 918 A HN 0.521 nan 8.150 nan 0.000 0.449 919 F N -0.002 119.918 119.950 -0.050 0.000 2.026 919 F HA -0.180 4.346 4.527 -0.001 0.000 0.296 919 F C 1.994 177.732 175.800 -0.103 0.000 1.133 919 F CA 2.131 60.096 58.000 -0.060 0.000 1.188 919 F CB -0.483 38.493 39.000 -0.041 0.000 0.968 919 F HN 0.156 nan 8.300 nan 0.000 0.476 920 L N -0.078 121.144 121.223 -0.003 0.000 2.017 920 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 920 L C 2.611 179.426 176.870 -0.091 0.000 1.073 920 L CA 1.478 56.263 54.840 -0.093 0.000 0.745 920 L CB -0.861 41.119 42.059 -0.131 0.000 0.894 920 L HN -0.023 nan 8.230 nan 0.000 0.432 921 R N 0.191 120.652 120.500 -0.065 0.000 2.070 921 R HA -0.060 4.280 4.340 -0.001 0.000 0.232 921 R C 2.161 178.429 176.300 -0.054 0.000 1.138 921 R CA 1.766 57.838 56.100 -0.047 0.000 0.936 921 R CB -0.947 29.337 30.300 -0.028 0.000 0.839 921 R HN 0.395 nan 8.270 nan 0.000 0.429 922 L N -2.014 119.176 121.223 -0.056 0.000 2.463 922 L HA 0.407 4.747 4.340 -0.001 0.000 0.219 922 L C 0.901 177.713 176.870 -0.095 0.000 1.088 922 L CA 0.364 55.170 54.840 -0.057 0.000 0.849 922 L CB -0.112 41.928 42.059 -0.032 0.000 1.012 922 L HN 0.286 nan 8.230 nan 0.000 0.468 923 G N -0.109 108.597 108.800 -0.156 0.000 2.465 923 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.681 923 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.681 923 G C -0.151 174.581 174.900 -0.280 0.000 1.340 923 G CA -0.068 44.900 45.100 -0.219 0.000 0.884 923 G HN -0.020 nan 8.290 nan 0.000 0.650 924 M N 0.649 120.017 119.600 -0.386 0.000 2.605 924 M HA -0.140 4.339 4.480 -0.001 0.000 0.269 924 M C 2.807 179.038 176.300 -0.116 0.000 1.064 924 M CA 2.858 57.934 55.300 -0.375 0.000 1.078 924 M CB -0.416 32.022 32.600 -0.270 0.000 1.234 924 M HN 0.886 nan 8.290 nan 0.000 0.483 925 E N 0.492 120.652 120.200 -0.067 0.000 2.130 925 E HA -0.263 4.086 4.350 -0.001 0.000 0.196 925 E C 1.624 178.199 176.600 -0.041 0.000 0.998 925 E CA 1.648 58.023 56.400 -0.042 0.000 0.806 925 E CB -0.816 28.855 29.700 -0.048 0.000 0.738 925 E HN 0.636 nan 8.360 nan 0.000 0.459 926 K N 0.337 120.707 120.400 -0.049 0.000 2.147 926 K HA -0.060 4.260 4.320 -0.001 0.000 0.205 926 K C 2.272 178.872 176.600 0.000 0.000 1.049 926 K CA 1.729 57.999 56.287 -0.030 0.000 0.936 926 K CB -0.239 32.238 32.500 -0.038 0.000 0.722 926 K HN 0.198 nan 8.250 nan 0.000 0.446 927 T N 1.269 115.832 114.554 0.015 0.000 2.777 927 T HA -0.111 4.238 4.350 -0.001 0.000 0.266 927 T C 2.040 176.795 174.700 0.091 0.000 1.040 927 T CA 1.271 63.422 62.100 0.086 0.000 1.141 927 T CB -0.219 68.766 68.868 0.195 0.000 0.868 927 T HN 0.313 nan 8.240 nan 0.000 0.444 928 A N 1.989 124.847 122.820 0.064 0.000 1.917 928 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 928 A C 2.363 179.963 177.584 0.026 0.000 1.182 928 A CA 1.888 53.946 52.037 0.034 0.000 0.633 928 A CB -0.563 18.425 19.000 -0.020 0.000 0.819 928 A HN 0.414 nan 8.150 nan 0.000 0.448 929 R N -1.108 119.401 120.500 0.015 0.000 2.080 929 R HA -0.132 4.207 4.340 -0.001 0.000 0.236 929 R C 2.118 178.450 176.300 0.055 0.000 1.137 929 R CA 1.532 57.646 56.100 0.024 0.000 0.943 929 R CB -0.693 29.613 30.300 0.010 0.000 0.846 929 R HN 0.495 nan 8.270 nan 0.000 0.431 930 L N 0.935 122.193 121.223 0.058 0.000 2.079 930 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 930 L C 1.773 178.704 176.870 0.102 0.000 1.081 930 L CA 1.630 56.514 54.840 0.074 0.000 0.752 930 L CB -0.388 41.715 42.059 0.074 0.000 0.896 930 L HN 0.189 nan 8.230 nan 0.000 0.433 931 L N -0.767 120.518 121.223 0.104 0.000 1.970 931 L HA -0.271 4.068 4.340 -0.001 0.000 0.212 931 L C 2.433 179.384 176.870 0.135 0.000 1.071 931 L CA 1.930 56.842 54.840 0.120 0.000 0.751 931 L CB -0.937 41.188 42.059 0.111 0.000 0.889 931 L HN 0.347 nan 8.230 nan 0.000 0.432 932 D N -0.232 120.250 120.400 0.137 0.000 2.117 932 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 932 D C 2.136 178.540 176.300 0.173 0.000 0.987 932 D CA 1.477 55.581 54.000 0.173 0.000 0.829 932 D CB 0.185 41.079 40.800 0.157 0.000 0.961 932 D HN 0.341 nan 8.370 nan 0.000 0.460 933 A N 1.373 124.302 122.820 0.181 0.000 1.859 933 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 933 A C 2.427 180.205 177.584 0.324 0.000 1.198 933 A CA 1.207 53.408 52.037 0.274 0.000 0.629 933 A CB -0.995 18.090 19.000 0.142 0.000 0.830 933 A HN 0.243 nan 8.150 nan 0.000 0.446 934 L N -0.564 120.771 121.223 0.186 0.000 2.083 934 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 934 L C 2.710 179.614 176.870 0.058 0.000 1.083 934 L CA 1.809 56.752 54.840 0.173 0.000 0.752 934 L CB -0.522 41.633 42.059 0.160 0.000 0.899 934 L HN 0.564 nan 8.230 nan 0.000 0.433 935 K N 0.292 120.660 120.400 -0.053 0.000 2.009 935 K HA -0.287 4.033 4.320 -0.001 0.000 0.210 935 K C 2.243 178.381 176.600 -0.770 0.000 1.049 935 K CA 2.037 58.041 56.287 -0.473 0.000 0.929 935 K CB -0.500 31.832 32.500 -0.281 0.000 0.714 935 K HN 0.248 nan 8.250 nan 0.000 0.440 936 Y N 0.157 120.246 120.300 -0.351 0.000 2.070 936 Y HA -0.327 4.223 4.550 -0.001 0.000 0.280 936 Y C 2.154 177.914 175.900 -0.233 0.000 1.148 936 Y CA 2.091 60.045 58.100 -0.243 0.000 1.125 936 Y CB -0.416 37.971 38.460 -0.122 0.000 0.975 936 Y HN 0.095 nan 8.280 nan 0.000 0.492 937 Y N 0.204 120.283 120.300 -0.368 0.000 2.224 937 Y HA -0.092 4.457 4.550 -0.001 0.000 0.289 937 Y C 2.660 178.373 175.900 -0.311 0.000 1.146 937 Y CA 1.177 58.926 58.100 -0.585 0.000 1.182 937 Y CB -1.166 37.154 38.460 -0.234 0.000 0.983 937 Y HN 0.257 nan 8.280 nan 0.000 0.524 938 G N -0.627 108.230 108.800 0.096 0.000 2.418 938 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 938 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 938 G C 1.672 176.737 174.900 0.276 0.000 1.158 938 G CA 0.758 45.989 45.100 0.219 0.000 0.771 938 G HN 0.422 nan 8.290 nan 0.000 0.545 939 F N 1.065 121.017 119.950 0.003 0.000 2.084 939 F HA -0.117 4.409 4.527 -0.001 0.000 0.296 939 F C 3.198 178.924 175.800 -0.124 0.000 1.111 939 F CA 1.076 59.049 58.000 -0.045 0.000 1.224 939 F CB -0.601 38.371 39.000 -0.046 0.000 0.991 939 F HN 0.076 nan 8.300 nan 0.000 0.471 940 T N 0.824 115.306 114.554 -0.119 0.000 2.580 940 T HA -0.258 4.091 4.350 -0.001 0.000 0.265 940 T C 1.626 176.267 174.700 -0.100 0.000 1.063 940 T CA 1.744 63.669 62.100 -0.292 0.000 1.170 940 T CB -1.091 67.323 68.868 -0.756 0.000 0.863 940 T HN 0.151 nan 8.240 nan 0.000 0.418 941 F N 1.905 121.872 119.950 0.028 0.000 2.192 941 F HA -0.197 4.329 4.527 -0.001 0.000 0.301 941 F C 3.016 178.820 175.800 0.006 0.000 1.079 941 F CA 0.896 58.967 58.000 0.118 0.000 1.303 941 F CB -0.548 38.614 39.000 0.269 0.000 1.024 941 F HN 0.271 nan 8.300 nan 0.000 0.494 942 S N -0.049 115.769 115.700 0.197 0.000 2.356 942 S HA -0.244 4.226 4.470 -0.001 0.000 0.223 942 S C 2.176 176.749 174.600 -0.045 0.000 1.032 942 S CA 1.747 59.983 58.200 0.059 0.000 1.005 942 S CB -1.236 62.031 63.200 0.111 0.000 0.867 942 S HN 0.512 nan 8.310 nan 0.000 0.449 943 T N 0.966 115.507 114.554 -0.021 0.000 2.674 943 T HA -0.162 4.187 4.350 -0.001 0.000 0.265 943 T C 2.167 176.828 174.700 -0.066 0.000 1.039 943 T CA 2.382 64.453 62.100 -0.048 0.000 1.150 943 T CB -1.906 66.937 68.868 -0.041 0.000 0.864 943 T HN 0.690 nan 8.240 nan 0.000 0.427 944 T N 1.434 115.964 114.554 -0.039 0.000 2.821 944 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 944 T C 2.400 177.017 174.700 -0.138 0.000 1.046 944 T CA 1.725 63.810 62.100 -0.025 0.000 1.139 944 T CB -1.166 67.758 68.868 0.094 0.000 0.871 944 T HN 0.661 nan 8.240 nan 0.000 0.454 945 S N 1.804 117.260 115.700 -0.406 0.000 2.420 945 S HA 0.076 4.545 4.470 -0.001 0.000 0.237 945 S C 2.133 176.490 174.600 -0.406 0.000 1.023 945 S CA 0.984 58.618 58.200 -0.943 0.000 0.991 945 S CB -1.560 60.687 63.200 -1.588 0.000 0.792 945 S HN 1.504 nan 8.310 nan 0.000 0.488 946 G N 0.986 109.648 108.800 -0.231 0.000 2.225 946 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.267 946 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.267 946 G C -0.147 174.697 174.900 -0.094 0.000 1.024 946 G CA 0.202 45.229 45.100 -0.122 0.000 0.784 946 G HN 0.847 nan 8.290 nan 0.000 0.507 947 I N 0.910 121.417 120.570 -0.107 0.000 2.471 947 I HA 0.664 4.834 4.170 -0.001 0.000 0.286 947 I C 0.632 176.727 176.117 -0.037 0.000 1.079 947 I CA -0.371 60.904 61.300 -0.043 0.000 1.398 947 I CB 1.000 38.992 38.000 -0.014 0.000 1.403 947 I HN 0.433 nan 8.210 nan 0.000 0.530 948 T N 3.836 118.376 114.554 -0.023 0.000 2.889 948 T HA 0.624 4.973 4.350 -0.001 0.000 0.315 948 T C -0.489 174.198 174.700 -0.021 0.000 1.291 948 T CA -0.862 61.223 62.100 -0.026 0.000 1.028 948 T CB 1.305 70.157 68.868 -0.026 0.000 1.235 948 T HN 0.374 nan 8.240 nan 0.000 0.491 949 I N 1.688 122.245 120.570 -0.022 0.000 2.581 949 I HA 0.622 4.792 4.170 -0.001 0.000 0.288 949 I C 1.039 177.147 176.117 -0.014 0.000 1.047 949 I CA 0.127 61.416 61.300 -0.018 0.000 1.374 949 I CB 1.079 39.069 38.000 -0.017 0.000 1.423 949 I HN 1.073 nan 8.210 nan 0.000 0.549 950 G N 5.191 113.984 108.800 -0.013 0.000 2.638 950 G HA2 0.363 4.323 3.960 -0.001 0.000 0.302 950 G HA3 0.363 4.323 3.960 -0.001 0.000 0.302 950 G C 0.730 175.627 174.900 -0.006 0.000 1.365 950 G CA -0.385 44.709 45.100 -0.011 0.000 0.987 950 G HN 0.525 nan 8.290 nan 0.000 0.495 951 I N 0.906 121.475 120.570 -0.002 0.000 2.185 951 I HA -0.158 4.012 4.170 -0.001 0.000 0.246 951 I C 1.687 177.808 176.117 0.005 0.000 1.088 951 I CA 1.771 63.075 61.300 0.006 0.000 1.347 951 I CB -0.202 37.800 38.000 0.002 0.000 1.041 951 I HN 0.464 nan 8.210 nan 0.000 0.415 952 D N 0.924 121.320 120.400 -0.006 0.000 2.178 952 D HA -0.170 4.470 4.640 -0.001 0.000 0.201 952 D C 1.705 177.983 176.300 -0.036 0.000 0.980 952 D CA 1.037 55.027 54.000 -0.017 0.000 0.842 952 D CB -0.183 40.604 40.800 -0.022 0.000 0.948 952 D HN 0.402 nan 8.370 nan 0.000 0.472 953 D N 0.778 121.158 120.400 -0.034 0.000 2.116 953 D HA -0.121 4.518 4.640 -0.001 0.000 0.193 953 D C 0.720 177.029 176.300 0.016 0.000 0.998 953 D CA 0.987 54.961 54.000 -0.044 0.000 0.836 953 D CB -0.490 40.294 40.800 -0.027 0.000 0.951 953 D HN 0.116 nan 8.370 nan 0.000 0.449 954 A N 1.176 124.026 122.820 0.049 0.000 2.500 954 A HA 0.258 4.577 4.320 -0.001 0.000 0.285 954 A C -0.034 177.621 177.584 0.118 0.000 1.183 954 A CA -0.026 52.084 52.037 0.122 0.000 0.851 954 A CB -0.073 18.985 19.000 0.096 0.000 1.091 954 A HN -0.004 nan 8.150 nan 0.000 0.521 955 V N 5.566 125.594 119.914 0.191 0.000 2.370 955 V HA 0.237 4.356 4.120 -0.001 0.000 0.279 955 V C 0.355 176.461 176.094 0.020 0.000 1.029 955 V CA -0.291 62.047 62.300 0.063 0.000 0.870 955 V CB 1.228 33.047 31.823 -0.006 0.000 0.984 955 V HN 0.725 nan 8.190 nan 0.000 0.451 956 I N 7.325 127.904 120.570 0.015 0.000 2.441 956 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 956 I C -2.082 174.006 176.117 -0.048 0.000 1.049 956 I CA -1.524 59.770 61.300 -0.009 0.000 1.381 956 I CB 1.391 39.396 38.000 0.008 0.000 1.409 956 I HN 0.423 nan 8.210 nan 0.000 0.523 957 P HA 0.077 nan 4.420 nan 0.000 0.275 957 P C 0.209 177.457 177.300 -0.087 0.000 1.228 957 P CA -0.269 62.760 63.100 -0.119 0.000 0.786 957 P CB 0.865 32.464 31.700 -0.168 0.000 0.927 958 E N 2.147 122.299 120.200 -0.080 0.000 2.347 958 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 958 E C 1.233 177.798 176.600 -0.058 0.000 1.008 958 E CA 1.118 57.487 56.400 -0.052 0.000 0.852 958 E CB -0.191 29.485 29.700 -0.040 0.000 0.783 958 E HN 0.367 nan 8.360 nan 0.000 0.505 959 E N 0.581 120.711 120.200 -0.117 0.000 2.358 959 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 959 E C 1.752 178.254 176.600 -0.163 0.000 1.010 959 E CA 0.734 57.034 56.400 -0.166 0.000 0.856 959 E CB -0.383 29.106 29.700 -0.351 0.000 0.795 959 E HN 0.372 nan 8.360 nan 0.000 0.504 960 K N 2.299 122.624 120.400 -0.125 0.000 2.020 960 K HA -0.233 4.086 4.320 -0.001 0.000 0.212 960 K C 2.287 178.912 176.600 0.042 0.000 1.050 960 K CA 1.908 58.167 56.287 -0.048 0.000 0.929 960 K CB -0.155 32.325 32.500 -0.034 0.000 0.714 960 K HN 0.016 nan 8.250 nan 0.000 0.443 961 K N 0.318 120.738 120.400 0.033 0.000 2.103 961 K HA -0.239 4.081 4.320 -0.001 0.000 0.207 961 K C 2.120 178.779 176.600 0.098 0.000 1.048 961 K CA 1.983 58.304 56.287 0.057 0.000 0.930 961 K CB -0.020 32.501 32.500 0.036 0.000 0.716 961 K HN 0.417 nan 8.250 nan 0.000 0.444 962 Q N -0.649 119.225 119.800 0.122 0.000 1.941 962 Q HA -0.169 4.170 4.340 -0.001 0.000 0.201 962 Q C 2.068 178.227 176.000 0.266 0.000 0.982 962 Q CA 1.676 57.588 55.803 0.182 0.000 0.839 962 Q CB -0.385 28.487 28.738 0.223 0.000 0.904 962 Q HN 0.290 nan 8.270 nan 0.000 0.427 963 Y N 1.043 121.370 120.300 0.045 0.000 2.181 963 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 963 Y C 2.086 178.051 175.900 0.107 0.000 1.179 963 Y CA 0.931 59.068 58.100 0.061 0.000 1.179 963 Y CB -0.598 37.896 38.460 0.057 0.000 0.973 963 Y HN 0.179 nan 8.280 nan 0.000 0.519 964 L N -0.469 120.921 121.223 0.278 0.000 2.005 964 L HA -0.224 4.115 4.340 -0.001 0.000 0.207 964 L C 2.498 179.496 176.870 0.213 0.000 1.072 964 L CA 1.875 56.859 54.840 0.239 0.000 0.744 964 L CB -0.220 41.928 42.059 0.148 0.000 0.895 964 L HN 0.131 nan 8.230 nan 0.000 0.433 965 E N 0.414 120.705 120.200 0.152 0.000 2.051 965 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 965 E C 1.915 178.573 176.600 0.097 0.000 0.991 965 E CA 1.693 58.162 56.400 0.116 0.000 0.799 965 E CB -0.050 29.702 29.700 0.087 0.000 0.748 965 E HN 0.463 nan 8.360 nan 0.000 0.449 966 E N -0.147 120.099 120.200 0.076 0.000 2.049 966 E HA -0.249 4.101 4.350 -0.001 0.000 0.198 966 E C 2.018 178.611 176.600 -0.012 0.000 1.007 966 E CA 1.337 57.743 56.400 0.009 0.000 0.809 966 E CB -0.292 29.373 29.700 -0.059 0.000 0.749 966 E HN 0.397 nan 8.360 nan 0.000 0.450 967 A N 1.368 124.198 122.820 0.017 0.000 2.014 967 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 967 A C 1.966 179.585 177.584 0.057 0.000 1.163 967 A CA 1.389 53.383 52.037 -0.072 0.000 0.652 967 A CB -0.313 18.654 19.000 -0.054 0.000 0.808 967 A HN 0.287 nan 8.150 nan 0.000 0.449 968 D N 0.878 121.417 120.400 0.232 0.000 2.078 968 D HA -0.237 4.402 4.640 -0.001 0.000 0.193 968 D C 2.164 178.546 176.300 0.137 0.000 0.990 968 D CA 1.786 55.943 54.000 0.262 0.000 0.827 968 D CB -0.216 40.701 40.800 0.196 0.000 0.975 968 D HN 0.621 nan 8.370 nan 0.000 0.451 969 R N 0.920 121.468 120.500 0.080 0.000 2.105 969 R HA -0.124 4.215 4.340 -0.001 0.000 0.239 969 R C 2.503 178.816 176.300 0.023 0.000 1.135 969 R CA 1.323 57.451 56.100 0.048 0.000 0.967 969 R CB -0.550 29.769 30.300 0.031 0.000 0.861 969 R HN 0.105 nan 8.270 nan 0.000 0.442 970 K N 1.401 121.793 120.400 -0.014 0.000 2.147 970 K HA -0.129 4.190 4.320 -0.001 0.000 0.205 970 K C 2.209 178.779 176.600 -0.050 0.000 1.049 970 K CA 1.232 57.484 56.287 -0.058 0.000 0.936 970 K CB -0.153 32.267 32.500 -0.133 0.000 0.722 970 K HN 0.291 nan 8.250 nan 0.000 0.446 971 L N 0.013 121.226 121.223 -0.016 0.000 2.046 971 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 971 L C 1.797 178.706 176.870 0.065 0.000 1.077 971 L CA 1.559 56.426 54.840 0.045 0.000 0.747 971 L CB -0.578 41.608 42.059 0.212 0.000 0.896 971 L HN 0.107 nan 8.230 nan 0.000 0.432 972 L N -0.273 120.990 121.223 0.067 0.000 2.141 972 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 972 L C 2.691 179.595 176.870 0.058 0.000 1.094 972 L CA 1.661 56.540 54.840 0.065 0.000 0.763 972 L CB -1.225 40.870 42.059 0.060 0.000 0.908 972 L HN 0.570 nan 8.230 nan 0.000 0.437 973 Q N -0.453 119.371 119.800 0.040 0.000 2.050 973 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 973 Q C 2.241 178.278 176.000 0.062 0.000 0.980 973 Q CA 1.412 57.240 55.803 0.042 0.000 0.840 973 Q CB -0.059 28.690 28.738 0.018 0.000 0.898 973 Q HN 0.469 nan 8.270 nan 0.000 0.424 974 I N 0.576 121.174 120.570 0.047 0.000 2.454 974 I HA -0.224 3.945 4.170 -0.001 0.000 0.254 974 I C 2.331 178.520 176.117 0.119 0.000 1.156 974 I CA 0.704 62.044 61.300 0.067 0.000 1.433 974 I CB -0.186 37.828 38.000 0.023 0.000 1.082 974 I HN 0.178 nan 8.210 nan 0.000 0.432 975 E N 1.006 121.269 120.200 0.106 0.000 2.046 975 E HA -0.167 4.182 4.350 -0.001 0.000 0.190 975 E C 2.180 178.886 176.600 0.177 0.000 0.982 975 E CA 1.245 57.726 56.400 0.135 0.000 0.800 975 E CB -0.136 29.623 29.700 0.097 0.000 0.756 975 E HN 0.503 nan 8.360 nan 0.000 0.449 976 Q N -0.196 119.678 119.800 0.124 0.000 2.181 976 Q HA -0.097 4.242 4.340 -0.001 0.000 0.205 976 Q C 1.982 178.053 176.000 0.119 0.000 0.980 976 Q CA 1.354 57.220 55.803 0.104 0.000 0.862 976 Q CB -0.139 28.642 28.738 0.072 0.000 0.905 976 Q HN 0.211 nan 8.270 nan 0.000 0.429 977 A N -0.273 122.641 122.820 0.155 0.000 2.067 977 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 977 A C 1.687 179.410 177.584 0.233 0.000 1.158 977 A CA 0.921 53.082 52.037 0.207 0.000 0.661 977 A CB -0.379 18.745 19.000 0.208 0.000 0.801 977 A HN 0.491 nan 8.150 nan 0.000 0.452 978 Y N 0.219 120.575 120.300 0.094 0.000 2.301 978 Y HA 0.064 4.613 4.550 -0.001 0.000 0.295 978 Y C 2.005 177.938 175.900 0.056 0.000 1.126 978 Y CA 1.454 59.605 58.100 0.084 0.000 1.154 978 Y CB -0.020 38.486 38.460 0.076 0.000 1.075 978 Y HN 0.380 nan 8.280 nan 0.000 0.534 979 E N -0.197 120.112 120.200 0.181 0.000 2.331 979 E HA -0.197 4.152 4.350 -0.001 0.000 0.199 979 E C 1.779 178.353 176.600 -0.043 0.000 1.008 979 E CA 1.124 57.569 56.400 0.076 0.000 0.843 979 E CB -0.064 29.701 29.700 0.108 0.000 0.761 979 E HN 0.530 nan 8.360 nan 0.000 0.507 980 M N -1.764 117.796 119.600 -0.067 0.000 2.486 980 M HA 0.120 4.599 4.480 -0.001 0.000 0.264 980 M C 1.370 177.563 176.300 -0.178 0.000 1.125 980 M CA 1.040 56.261 55.300 -0.131 0.000 1.144 980 M CB 0.891 33.386 32.600 -0.175 0.000 1.353 980 M HN 0.319 nan 8.290 nan 0.000 0.466 981 G N -0.687 108.008 108.800 -0.176 0.000 2.175 981 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.182 981 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.182 981 G C 0.649 175.549 174.900 -0.001 0.000 1.003 981 G CA -0.322 44.680 45.100 -0.163 0.000 0.666 981 G HN 0.396 nan 8.290 nan 0.000 0.506 982 F N 0.718 120.621 119.950 -0.079 0.000 2.074 982 F HA 0.242 4.768 4.527 -0.001 0.000 0.293 982 F C 1.593 177.385 175.800 -0.013 0.000 1.116 982 F CA 0.745 58.725 58.000 -0.032 0.000 1.212 982 F CB 0.052 39.048 39.000 -0.007 0.000 0.998 982 F HN 0.064 nan 8.300 nan 0.000 0.471 983 L N 0.380 121.742 121.223 0.231 0.000 2.305 983 L HA 0.274 4.614 4.340 -0.001 0.000 0.281 983 L C 0.304 177.276 176.870 0.170 0.000 1.085 983 L CA -0.360 54.586 54.840 0.177 0.000 0.813 983 L CB 0.784 42.986 42.059 0.239 0.000 1.157 983 L HN -0.181 nan 8.230 nan 0.000 0.436 984 T N 0.103 114.742 114.554 0.142 0.000 2.856 984 T HA -0.049 4.301 4.350 -0.001 0.000 0.306 984 T C 1.068 175.931 174.700 0.271 0.000 1.062 984 T CA -0.160 62.026 62.100 0.143 0.000 1.083 984 T CB 0.783 69.708 68.868 0.095 0.000 0.984 984 T HN 0.867 nan 8.240 nan 0.000 0.542 985 D N 1.191 121.766 120.400 0.292 0.000 2.191 985 D HA -0.155 4.484 4.640 -0.001 0.000 0.195 985 D C 2.100 178.524 176.300 0.208 0.000 1.003 985 D CA 1.493 55.699 54.000 0.343 0.000 0.867 985 D CB 0.064 40.987 40.800 0.205 0.000 0.926 985 D HN 0.460 nan 8.370 nan 0.000 0.450 986 R N 0.725 121.324 120.500 0.165 0.000 2.056 986 R HA 0.010 4.349 4.340 -0.001 0.000 0.227 986 R C 2.236 178.637 176.300 0.169 0.000 1.149 986 R CA 1.778 57.972 56.100 0.157 0.000 0.937 986 R CB -0.630 29.738 30.300 0.114 0.000 0.835 986 R HN 0.142 nan 8.270 nan 0.000 0.430 987 E N 0.376 120.655 120.200 0.131 0.000 2.197 987 E HA -0.339 4.010 4.350 -0.001 0.000 0.205 987 E C 2.020 178.685 176.600 0.107 0.000 1.029 987 E CA 1.666 58.125 56.400 0.098 0.000 0.828 987 E CB -0.295 29.455 29.700 0.083 0.000 0.737 987 E HN 0.286 nan 8.360 nan 0.000 0.464 988 R N 0.306 120.903 120.500 0.161 0.000 2.097 988 R HA -0.245 4.095 4.340 -0.001 0.000 0.236 988 R C 2.332 178.696 176.300 0.107 0.000 1.135 988 R CA 1.923 58.095 56.100 0.120 0.000 0.934 988 R CB -0.623 29.689 30.300 0.019 0.000 0.846 988 R HN 0.241 nan 8.270 nan 0.000 0.431 989 Y N 2.277 122.572 120.300 -0.008 0.000 2.049 989 Y HA -0.252 4.297 4.550 -0.001 0.000 0.277 989 Y C 2.082 177.993 175.900 0.019 0.000 1.143 989 Y CA 2.052 60.154 58.100 0.004 0.000 1.115 989 Y CB -0.721 37.741 38.460 0.002 0.000 0.975 989 Y HN 0.231 nan 8.280 nan 0.000 0.487 990 D N -0.426 119.925 120.400 -0.081 0.000 2.190 990 D HA -0.231 4.408 4.640 -0.001 0.000 0.200 990 D C 2.042 178.258 176.300 -0.141 0.000 0.992 990 D CA 1.455 55.360 54.000 -0.158 0.000 0.854 990 D CB -0.107 40.670 40.800 -0.038 0.000 0.936 990 D HN 0.511 nan 8.370 nan 0.000 0.462 991 Q N 0.315 120.065 119.800 -0.083 0.000 2.137 991 Q HA -0.052 4.287 4.340 -0.001 0.000 0.198 991 Q C 2.554 178.470 176.000 -0.140 0.000 0.960 991 Q CA 0.352 56.100 55.803 -0.092 0.000 0.847 991 Q CB 0.113 28.823 28.738 -0.048 0.000 0.915 991 Q HN 0.392 nan 8.270 nan 0.000 0.448 992 I N 0.875 121.380 120.570 -0.108 0.000 2.179 992 I HA -0.332 3.837 4.170 -0.001 0.000 0.242 992 I C 2.327 178.358 176.117 -0.144 0.000 1.088 992 I CA 0.969 62.208 61.300 -0.101 0.000 1.357 992 I CB -0.499 37.559 38.000 0.097 0.000 1.051 992 I HN 0.142 nan 8.210 nan 0.000 0.409 993 L N 0.082 121.228 121.223 -0.127 0.000 2.013 993 L HA -0.274 4.066 4.340 -0.001 0.000 0.212 993 L C 2.711 179.534 176.870 -0.078 0.000 1.073 993 L CA 1.498 56.293 54.840 -0.074 0.000 0.753 993 L CB -0.843 41.068 42.059 -0.247 0.000 0.890 993 L HN 0.261 nan 8.230 nan 0.000 0.432 994 Q N 0.280 119.995 119.800 -0.142 0.000 2.124 994 Q HA -0.215 4.125 4.340 -0.001 0.000 0.202 994 Q C 2.041 177.924 176.000 -0.194 0.000 0.977 994 Q CA 1.495 57.219 55.803 -0.131 0.000 0.850 994 Q CB -0.326 28.337 28.738 -0.124 0.000 0.901 994 Q HN 0.356 nan 8.270 nan 0.000 0.429 995 L N -0.892 120.116 121.223 -0.357 0.000 2.012 995 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 995 L C 1.596 178.114 176.870 -0.586 0.000 1.073 995 L CA 1.953 56.440 54.840 -0.589 0.000 0.748 995 L CB -0.710 40.790 42.059 -0.932 0.000 0.891 995 L HN 0.408 nan 8.230 nan 0.000 0.431 996 W N -0.897 120.391 121.300 -0.019 0.000 2.443 996 W HA -0.078 4.581 4.660 -0.001 0.000 0.296 996 W C 2.408 178.924 176.519 -0.004 0.000 1.202 996 W CA 0.890 58.233 57.345 -0.003 0.000 1.312 996 W CB -0.942 28.521 29.460 0.004 0.000 1.120 996 W HN -0.027 nan 8.180 nan 0.000 0.536 997 T N 0.285 114.936 114.554 0.162 0.000 2.721 997 T HA -0.324 4.026 4.350 -0.001 0.000 0.268 997 T C 1.432 176.166 174.700 0.057 0.000 1.038 997 T CA 2.043 64.195 62.100 0.087 0.000 1.145 997 T CB -0.294 68.590 68.868 0.026 0.000 0.858 997 T HN 0.314 nan 8.240 nan 0.000 0.459 998 E N -0.043 120.167 120.200 0.018 0.000 2.075 998 E HA -0.076 4.273 4.350 -0.001 0.000 0.190 998 E C 2.299 178.928 176.600 0.049 0.000 0.969 998 E CA 0.935 57.337 56.400 0.004 0.000 0.815 998 E CB 0.002 29.668 29.700 -0.057 0.000 0.776 998 E HN 0.302 nan 8.360 nan 0.000 0.457 999 T N 0.097 114.690 114.554 0.065 0.000 2.759 999 T HA -0.203 4.147 4.350 -0.001 0.000 0.269 999 T C 1.888 176.727 174.700 0.231 0.000 1.042 999 T CA 1.828 64.026 62.100 0.163 0.000 1.140 999 T CB -0.539 68.482 68.868 0.256 0.000 0.864 999 T HN 0.282 nan 8.240 nan 0.000 0.455 1000 T N 1.117 115.798 114.554 0.211 0.000 2.674 1000 T HA -0.143 4.206 4.350 -0.001 0.000 0.265 1000 T C 1.943 176.700 174.700 0.095 0.000 1.039 1000 T CA 1.432 63.620 62.100 0.148 0.000 1.150 1000 T CB -0.356 68.583 68.868 0.120 0.000 0.864 1000 T HN 0.279 nan 8.240 nan 0.000 0.427 1001 E N 0.687 120.933 120.200 0.078 0.000 2.209 1001 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 1001 E C 2.131 178.773 176.600 0.070 0.000 0.993 1001 E CA 1.148 57.575 56.400 0.045 0.000 0.819 1001 E CB -0.097 29.625 29.700 0.037 0.000 0.745 1001 E HN 0.576 nan 8.360 nan 0.000 0.477 1002 K N -0.077 120.407 120.400 0.141 0.000 2.031 1002 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 1002 K C 2.187 178.891 176.600 0.174 0.000 1.049 1002 K CA 1.065 57.508 56.287 0.259 0.000 0.939 1002 K CB -0.262 32.491 32.500 0.422 0.000 0.717 1002 K HN 0.003 nan 8.250 nan 0.000 0.438 1003 V N 1.584 121.574 119.914 0.127 0.000 2.490 1003 V HA -0.249 3.870 4.120 -0.001 0.000 0.250 1003 V C 1.701 177.756 176.094 -0.065 0.000 1.061 1003 V CA 2.080 64.363 62.300 -0.029 0.000 1.064 1003 V CB -0.390 31.441 31.823 0.013 0.000 0.670 1003 V HN 0.396 nan 8.190 nan 0.000 0.461 1004 T N -0.068 114.454 114.554 -0.053 0.000 2.529 1004 T HA -0.313 4.037 4.350 -0.001 0.000 0.261 1004 T C 1.796 176.395 174.700 -0.169 0.000 1.110 1004 T CA 2.335 64.347 62.100 -0.147 0.000 1.192 1004 T CB -0.391 68.394 68.868 -0.139 0.000 0.864 1004 T HN 0.519 nan 8.240 nan 0.000 0.407 1005 Q N 0.793 120.548 119.800 -0.074 0.000 2.197 1005 Q HA -0.045 4.294 4.340 -0.001 0.000 0.207 1005 Q C 2.189 178.217 176.000 0.046 0.000 0.984 1005 Q CA 1.643 57.456 55.803 0.017 0.000 0.869 1005 Q CB -0.681 28.092 28.738 0.058 0.000 0.906 1005 Q HN 0.550 nan 8.270 nan 0.000 0.426 1006 A N -0.737 122.062 122.820 -0.035 0.000 1.841 1006 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 1006 A C 2.208 179.755 177.584 -0.063 0.000 1.199 1006 A CA 1.908 53.883 52.037 -0.103 0.000 0.621 1006 A CB -1.132 17.700 19.000 -0.280 0.000 0.835 1006 A HN 0.259 nan 8.150 nan 0.000 0.445 1007 V N -0.856 119.025 119.914 -0.056 0.000 2.317 1007 V HA -0.332 3.787 4.120 -0.001 0.000 0.251 1007 V C 2.376 178.556 176.094 0.144 0.000 1.065 1007 V CA 2.300 64.574 62.300 -0.044 0.000 1.049 1007 V CB -1.151 30.712 31.823 0.068 0.000 0.651 1007 V HN 0.598 nan 8.190 nan 0.000 0.450 1008 F N -0.104 119.941 119.950 0.159 0.000 2.146 1008 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 1008 F C 2.628 178.529 175.800 0.169 0.000 1.096 1008 F CA 1.183 59.392 58.000 0.347 0.000 1.275 1008 F CB -0.150 39.023 39.000 0.287 0.000 1.008 1008 F HN 0.069 nan 8.300 nan 0.000 0.480 1009 K N 0.274 120.821 120.400 0.244 0.000 2.103 1009 K HA -0.235 4.085 4.320 -0.001 0.000 0.207 1009 K C 1.841 178.430 176.600 -0.019 0.000 1.048 1009 K CA 1.113 57.455 56.287 0.092 0.000 0.930 1009 K CB -0.393 32.130 32.500 0.039 0.000 0.716 1009 K HN 0.257 nan 8.250 nan 0.000 0.444 1010 N N 0.561 119.193 118.700 -0.113 0.000 2.058 1010 N HA -0.160 4.580 4.740 -0.001 0.000 0.191 1010 N C 1.793 177.156 175.510 -0.246 0.000 1.037 1010 N CA 1.460 54.359 53.050 -0.252 0.000 0.848 1010 N CB -0.099 38.159 38.487 -0.382 0.000 1.021 1010 N HN -0.006 nan 8.380 nan 0.000 0.422 1011 F N 1.876 121.809 119.950 -0.028 0.000 2.069 1011 F HA -0.125 4.401 4.527 -0.001 0.000 0.298 1011 F C 2.728 178.298 175.800 -0.383 0.000 1.113 1011 F CA 1.340 59.225 58.000 -0.192 0.000 1.214 1011 F CB -1.121 37.630 39.000 -0.415 0.000 0.978 1011 F HN 0.224 nan 8.300 nan 0.000 0.474 1012 E N 0.336 120.458 120.200 -0.130 0.000 2.086 1012 E HA -0.293 4.057 4.350 -0.001 0.000 0.200 1012 E C 1.848 178.392 176.600 -0.094 0.000 1.012 1012 E CA 2.163 58.492 56.400 -0.118 0.000 0.812 1012 E CB -0.105 29.609 29.700 0.023 0.000 0.743 1012 E HN 0.538 nan 8.360 nan 0.000 0.453 1013 E N -0.330 119.815 120.200 -0.092 0.000 2.075 1013 E HA -0.047 4.303 4.350 -0.001 0.000 0.190 1013 E C 1.938 178.453 176.600 -0.141 0.000 0.969 1013 E CA 1.080 57.423 56.400 -0.095 0.000 0.815 1013 E CB 0.129 29.775 29.700 -0.090 0.000 0.776 1013 E HN 0.303 nan 8.360 nan 0.000 0.457 1014 N N -0.180 118.374 118.700 -0.243 0.000 2.322 1014 N HA -0.057 4.682 4.740 -0.001 0.000 0.186 1014 N C -0.012 175.288 175.510 -0.350 0.000 1.037 1014 N CA 0.856 53.663 53.050 -0.405 0.000 0.869 1014 N CB -0.116 37.941 38.487 -0.718 0.000 1.036 1014 N HN 0.131 nan 8.380 nan 0.000 0.439 1015 Y N 0.755 121.049 120.300 -0.010 0.000 2.960 1015 Y HA 0.421 4.970 4.550 -0.001 0.000 0.343 1015 Y C -1.695 174.168 175.900 -0.062 0.000 1.106 1015 Y CA -2.446 55.678 58.100 0.040 0.000 1.221 1015 Y CB 1.113 39.665 38.460 0.154 0.000 1.232 1015 Y HN 0.039 nan 8.280 nan 0.000 0.577 1016 P HA -0.151 nan 4.420 nan 0.000 0.218 1016 P C 0.076 177.274 177.300 -0.170 0.000 1.148 1016 P CA 1.532 64.559 63.100 -0.120 0.000 0.822 1016 P CB 0.143 31.844 31.700 0.002 0.000 0.784 1017 F N -0.421 119.592 119.950 0.105 0.000 2.550 1017 F HA 0.219 4.746 4.527 -0.001 0.000 0.312 1017 F C 0.726 176.586 175.800 0.101 0.000 1.256 1017 F CA -0.841 57.242 58.000 0.138 0.000 1.182 1017 F CB -0.273 38.820 39.000 0.154 0.000 1.383 1017 F HN -0.169 nan 8.300 nan 0.000 0.541 1018 N N 2.208 120.992 118.700 0.141 0.000 2.430 1018 N HA 0.114 4.853 4.740 -0.001 0.000 0.265 1018 N C -1.917 173.606 175.510 0.021 0.000 1.100 1018 N CA -1.500 51.583 53.050 0.055 0.000 0.961 1018 N CB 1.676 40.139 38.487 -0.039 0.000 1.075 1018 N HN 0.078 nan 8.380 nan 0.000 0.478 1019 P HA -0.200 nan 4.420 nan 0.000 0.218 1019 P C 1.540 178.805 177.300 -0.057 0.000 1.154 1019 P CA 0.954 64.057 63.100 0.004 0.000 0.872 1019 P CB 0.279 31.976 31.700 -0.005 0.000 0.790 1020 L N -2.213 118.948 121.223 -0.104 0.000 2.072 1020 L HA -0.137 4.203 4.340 -0.001 0.000 0.205 1020 L C 2.424 179.163 176.870 -0.218 0.000 1.079 1020 L CA 1.627 56.380 54.840 -0.145 0.000 0.752 1020 L CB -1.339 40.637 42.059 -0.138 0.000 0.906 1020 L HN -0.070 nan 8.230 nan 0.000 0.436 1021 Y N -0.756 119.235 120.300 -0.515 0.000 2.163 1021 Y HA -0.192 4.357 4.550 -0.001 0.000 0.288 1021 Y C 2.221 177.852 175.900 -0.449 0.000 1.136 1021 Y CA 2.145 59.880 58.100 -0.609 0.000 1.147 1021 Y CB -0.523 37.434 38.460 -0.838 0.000 0.987 1021 Y HN -0.002 nan 8.280 nan 0.000 0.509 1022 V N 1.094 120.866 119.914 -0.237 0.000 2.392 1022 V HA -0.400 3.720 4.120 -0.001 0.000 0.249 1022 V C 2.386 178.139 176.094 -0.568 0.000 1.059 1022 V CA 2.388 64.415 62.300 -0.455 0.000 1.051 1022 V CB -0.821 30.885 31.823 -0.195 0.000 0.658 1022 V HN 0.512 nan 8.190 nan 0.000 0.455 1023 M N 0.019 119.411 119.600 -0.347 0.000 2.117 1023 M HA -0.151 4.328 4.480 -0.001 0.000 0.262 1023 M C 2.412 178.534 176.300 -0.296 0.000 1.065 1023 M CA 2.159 57.296 55.300 -0.272 0.000 1.114 1023 M CB -0.614 31.888 32.600 -0.163 0.000 1.361 1023 M HN 0.413 nan 8.290 nan 0.000 0.408 1024 A N -0.292 122.330 122.820 -0.330 0.000 1.873 1024 A HA -0.200 4.120 4.320 -0.001 0.000 0.215 1024 A C 2.052 179.432 177.584 -0.340 0.000 1.186 1024 A CA 1.675 53.547 52.037 -0.274 0.000 0.616 1024 A CB -0.680 18.187 19.000 -0.222 0.000 0.823 1024 A HN 0.396 nan 8.150 nan 0.000 0.442 1025 Q N 1.057 120.517 119.800 -0.568 0.000 2.020 1025 Q HA -0.035 4.305 4.340 -0.001 0.000 0.202 1025 Q C 0.968 176.758 176.000 -0.350 0.000 0.982 1025 Q CA 1.398 56.901 55.803 -0.499 0.000 0.838 1025 Q CB -0.696 27.641 28.738 -0.668 0.000 0.899 1025 Q HN 0.562 nan 8.270 nan 0.000 0.423 1026 S N -0.469 114.881 115.700 -0.583 0.000 2.566 1026 S HA 0.229 4.698 4.470 -0.001 0.000 0.280 1026 S C 1.075 175.573 174.600 -0.169 0.000 1.343 1026 S CA 0.046 58.037 58.200 -0.349 0.000 1.036 1026 S CB 0.800 63.717 63.200 -0.472 0.000 0.866 1026 S HN 0.558 nan 8.310 nan 0.000 0.526 1027 G N 0.558 109.323 108.800 -0.058 0.000 2.807 1027 G HA2 0.179 4.139 3.960 -0.001 0.000 0.207 1027 G HA3 0.179 4.139 3.960 -0.001 0.000 0.207 1027 G C 1.010 175.886 174.900 -0.041 0.000 1.151 1027 G CA 0.415 45.492 45.100 -0.039 0.000 0.800 1027 G HN 0.805 nan 8.290 nan 0.000 0.523 1028 A N 0.397 123.176 122.820 -0.069 0.000 2.404 1028 A HA 0.238 4.558 4.320 -0.001 0.000 0.189 1028 A C 1.450 179.002 177.584 -0.054 0.000 1.145 1028 A CA 0.899 52.905 52.037 -0.052 0.000 0.839 1028 A CB -0.030 18.918 19.000 -0.087 0.000 0.848 1028 A HN 0.264 nan 8.150 nan 0.000 0.545 1029 R N -1.652 118.799 120.500 -0.082 0.000 2.808 1029 R HA 0.567 4.906 4.340 -0.001 0.000 0.272 1029 R C -0.425 175.821 176.300 -0.088 0.000 0.995 1029 R CA 0.402 56.460 56.100 -0.070 0.000 0.917 1029 R CB 1.333 31.598 30.300 -0.059 0.000 1.217 1029 R HN 1.779 nan 8.270 nan 0.000 0.471 1030 G N 1.636 110.395 108.800 -0.069 0.000 2.525 1030 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.685 1030 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.685 1030 G C -1.554 173.321 174.900 -0.041 0.000 1.285 1030 G CA -0.788 44.275 45.100 -0.062 0.000 0.849 1030 G HN 0.613 nan 8.290 nan 0.000 0.653 1031 N N 2.050 120.735 118.700 -0.025 0.000 2.310 1031 N HA 0.526 5.265 4.740 -0.001 0.000 0.292 1031 N C -1.920 173.593 175.510 0.005 0.000 1.049 1031 N CA -1.757 51.285 53.050 -0.013 0.000 0.849 1031 N CB 2.855 41.320 38.487 -0.035 0.000 1.532 1031 N HN 0.073 nan 8.380 nan 0.000 0.479 1032 P HA -0.196 nan 4.420 nan 0.000 0.216 1032 P C 1.148 178.378 177.300 -0.116 0.000 1.154 1032 P CA 1.608 64.686 63.100 -0.036 0.000 0.865 1032 P CB 0.312 31.998 31.700 -0.023 0.000 0.789 1033 Q N -0.949 118.803 119.800 -0.080 0.000 2.230 1033 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 1033 Q C 2.187 178.124 176.000 -0.105 0.000 0.963 1033 Q CA 1.228 56.978 55.803 -0.088 0.000 0.866 1033 Q CB -0.220 28.481 28.738 -0.062 0.000 0.931 1033 Q HN 0.284 nan 8.270 nan 0.000 0.452 1034 Q N -0.175 119.567 119.800 -0.096 0.000 1.969 1034 Q HA -0.117 4.223 4.340 -0.001 0.000 0.198 1034 Q C 1.984 177.912 176.000 -0.120 0.000 0.978 1034 Q CA 1.319 57.048 55.803 -0.124 0.000 0.830 1034 Q CB 0.021 28.701 28.738 -0.096 0.000 0.896 1034 Q HN 0.411 nan 8.270 nan 0.000 0.431 1035 I N 1.072 121.612 120.570 -0.050 0.000 2.300 1035 I HA -0.329 3.841 4.170 -0.001 0.000 0.252 1035 I C 2.350 178.461 176.117 -0.009 0.000 1.119 1035 I CA 1.564 62.873 61.300 0.015 0.000 1.384 1035 I CB -1.117 36.978 38.000 0.157 0.000 1.062 1035 I HN 0.325 nan 8.210 nan 0.000 0.426 1036 R N 1.351 121.803 120.500 -0.081 0.000 2.096 1036 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 1036 R C 2.072 178.319 176.300 -0.087 0.000 1.127 1036 R CA 1.385 57.434 56.100 -0.086 0.000 0.968 1036 R CB -0.094 30.137 30.300 -0.115 0.000 0.861 1036 R HN 0.482 nan 8.270 nan 0.000 0.440 1037 Q N 0.135 119.834 119.800 -0.168 0.000 2.436 1037 Q HA -0.067 4.272 4.340 -0.001 0.000 0.209 1037 Q C 1.904 177.743 176.000 -0.268 0.000 0.965 1037 Q CA 0.978 56.609 55.803 -0.287 0.000 0.910 1037 Q CB 0.170 28.589 28.738 -0.533 0.000 0.980 1037 Q HN 0.449 nan 8.270 nan 0.000 0.491 1038 L N -2.041 119.101 121.223 -0.135 0.000 2.262 1038 L HA 0.055 4.395 4.340 -0.001 0.000 0.197 1038 L C 2.123 179.040 176.870 0.077 0.000 1.073 1038 L CA 0.327 55.169 54.840 0.004 0.000 0.800 1038 L CB -0.445 41.623 42.059 0.014 0.000 0.987 1038 L HN 0.132 nan 8.230 nan 0.000 0.470 1039 C N 0.226 119.579 119.300 0.088 0.000 2.520 1039 C HA 0.318 4.777 4.460 -0.001 0.000 0.291 1039 C C 2.287 177.311 174.990 0.055 0.000 1.364 1039 C CA 0.186 59.270 59.018 0.109 0.000 1.781 1039 C CB -0.641 27.229 27.740 0.216 0.000 2.171 1039 C HN 0.589 nan 8.230 nan 0.000 0.516 1040 G N 0.702 109.522 108.800 0.034 0.000 3.048 1040 G HA2 0.447 4.407 3.960 -0.001 0.000 0.151 1040 G HA3 0.447 4.407 3.960 -0.001 0.000 0.151 1040 G C -0.318 174.589 174.900 0.013 0.000 1.803 1040 G CA 0.516 45.618 45.100 0.004 0.000 1.047 1040 G HN 0.645 nan 8.290 nan 0.000 0.513 1041 L N -2.108 119.118 121.223 0.005 0.000 2.526 1041 L HA 0.618 4.957 4.340 -0.001 0.000 0.263 1041 L C -0.492 176.380 176.870 0.003 0.000 0.943 1041 L CA -1.282 53.568 54.840 0.017 0.000 0.859 1041 L CB 2.148 44.219 42.059 0.020 0.000 1.313 1041 L HN 0.644 nan 8.230 nan 0.000 0.406 1042 R N 1.418 121.921 120.500 0.004 0.000 2.296 1042 R HA 0.518 4.857 4.340 -0.001 0.000 0.323 1042 R C 0.504 176.815 176.300 0.018 0.000 1.067 1042 R CA 0.240 56.338 56.100 -0.003 0.000 0.946 1042 R CB 1.221 31.506 30.300 -0.025 0.000 0.991 1042 R HN 0.881 nan 8.270 nan 0.000 0.448 1043 G N 3.694 112.499 108.800 0.009 0.000 2.559 1043 G HA2 0.061 4.020 3.960 -0.001 0.000 0.209 1043 G HA3 0.061 4.020 3.960 -0.001 0.000 0.209 1043 G C 0.139 175.032 174.900 -0.013 0.000 1.151 1043 G CA -0.241 44.846 45.100 -0.022 0.000 0.824 1043 G HN 0.455 nan 8.290 nan 0.000 0.543 1044 L N 1.935 123.183 121.223 0.042 0.000 2.343 1044 L HA 0.514 4.853 4.340 -0.001 0.000 0.278 1044 L C -1.003 175.936 176.870 0.115 0.000 0.996 1044 L CA -0.747 54.139 54.840 0.078 0.000 0.831 1044 L CB 2.087 44.208 42.059 0.103 0.000 1.232 1044 L HN 0.022 nan 8.230 nan 0.000 0.413 1045 M N 3.794 123.493 119.600 0.165 0.000 2.072 1045 M HA 0.407 4.887 4.480 -0.001 0.000 0.331 1045 M C -0.371 176.132 176.300 0.340 0.000 1.004 1045 M CA -0.466 54.961 55.300 0.212 0.000 0.952 1045 M CB 1.156 33.875 32.600 0.199 0.000 1.511 1045 M HN 0.545 nan 8.290 nan 0.000 0.422 1046 Q N 1.790 121.721 119.800 0.219 0.000 2.524 1046 Q HA 0.203 4.543 4.340 -0.001 0.000 0.246 1046 Q C 0.123 176.164 176.000 0.069 0.000 1.063 1046 Q CA 0.235 56.110 55.803 0.121 0.000 0.945 1046 Q CB 1.250 30.021 28.738 0.056 0.000 1.292 1046 Q HN 0.470 nan 8.270 nan 0.000 0.518 1047 K N 1.217 121.416 120.400 -0.334 0.000 2.136 1047 K HA 0.030 4.349 4.320 -0.001 0.000 0.237 1047 K C -1.626 174.865 176.600 -0.182 0.000 1.048 1047 K CA -1.255 54.727 56.287 -0.509 0.000 0.880 1047 K CB -0.218 31.791 32.500 -0.818 0.000 1.105 1047 K HN 0.332 nan 8.250 nan 0.000 0.507 1048 P HA -0.246 nan 4.420 nan 0.000 0.214 1048 P C 1.411 178.676 177.300 -0.058 0.000 1.163 1048 P CA 1.736 64.789 63.100 -0.079 0.000 0.889 1048 P CB 0.047 31.698 31.700 -0.082 0.000 0.790 1049 S N -1.668 113.978 115.700 -0.090 0.000 2.398 1049 S HA -0.083 4.386 4.470 -0.001 0.000 0.220 1049 S C 1.901 176.472 174.600 -0.049 0.000 1.038 1049 S CA 1.855 60.015 58.200 -0.067 0.000 1.080 1049 S CB -1.397 61.752 63.200 -0.085 0.000 1.039 1049 S HN 0.298 nan 8.310 nan 0.000 0.419 1050 G N 0.272 109.033 108.800 -0.065 0.000 4.142 1050 G HA2 0.037 3.996 3.960 -0.001 0.000 0.200 1050 G HA3 0.037 3.996 3.960 -0.001 0.000 0.200 1050 G C -0.198 174.689 174.900 -0.022 0.000 0.811 1050 G CA 0.028 45.111 45.100 -0.028 0.000 0.855 1050 G HN 0.611 nan 8.290 nan 0.000 0.455 1051 E N 3.103 123.269 120.200 -0.057 0.000 2.383 1051 E HA 0.351 4.700 4.350 -0.001 0.000 0.257 1051 E C 1.103 177.687 176.600 -0.026 0.000 1.079 1051 E CA 0.348 56.738 56.400 -0.016 0.000 0.934 1051 E CB 0.212 29.832 29.700 -0.134 0.000 0.978 1051 E HN 0.335 nan 8.360 nan 0.000 0.462 1052 T N 2.467 117.100 114.554 0.132 0.000 2.906 1052 T HA -0.024 4.326 4.350 -0.001 0.000 0.320 1052 T C 0.116 174.907 174.700 0.151 0.000 1.088 1052 T CA -0.319 61.856 62.100 0.124 0.000 1.120 1052 T CB 0.253 69.212 68.868 0.153 0.000 1.000 1052 T HN 0.306 nan 8.240 nan 0.000 0.550 1053 F N 1.975 122.014 119.950 0.148 0.000 2.459 1053 F HA 0.198 4.724 4.527 -0.001 0.000 0.346 1053 F C 2.083 177.994 175.800 0.184 0.000 1.128 1053 F CA -0.081 57.998 58.000 0.131 0.000 1.268 1053 F CB 0.811 39.853 39.000 0.070 0.000 1.161 1053 F HN 0.848 nan 8.300 nan 0.000 0.583 1054 E N 0.185 120.648 120.200 0.438 0.000 2.150 1054 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 1054 E C 0.067 176.802 176.600 0.226 0.000 0.985 1054 E CA 0.764 57.375 56.400 0.351 0.000 0.814 1054 E CB -0.210 29.654 29.700 0.274 0.000 0.752 1054 E HN 0.242 nan 8.360 nan 0.000 0.466 1055 V N 3.175 123.188 119.914 0.164 0.000 2.481 1055 V HA 0.275 4.394 4.120 -0.001 0.000 0.286 1055 V C -2.138 173.890 176.094 -0.110 0.000 1.042 1055 V CA -1.790 60.499 62.300 -0.018 0.000 0.928 1055 V CB 1.075 32.870 31.823 -0.046 0.000 0.986 1055 V HN 0.111 nan 8.190 nan 0.000 0.462 1056 P HA 0.429 nan 4.420 nan 0.000 0.287 1056 P C -0.922 176.251 177.300 -0.212 0.000 1.296 1056 P CA -0.626 62.284 63.100 -0.317 0.000 0.811 1056 P CB 0.804 32.104 31.700 -0.667 0.000 1.211 1057 V N 1.710 121.540 119.914 -0.140 0.000 2.217 1057 V HA 0.235 4.355 4.120 -0.001 0.000 0.264 1057 V C 1.555 177.606 176.094 -0.072 0.000 1.107 1057 V CA -0.220 62.035 62.300 -0.075 0.000 0.913 1057 V CB -0.372 31.453 31.823 0.004 0.000 1.153 1057 V HN 0.469 nan 8.190 nan 0.000 0.469 1058 R N 1.408 121.843 120.500 -0.109 0.000 2.261 1058 R HA -0.109 4.231 4.340 -0.001 0.000 0.236 1058 R C 1.219 177.502 176.300 -0.030 0.000 1.141 1058 R CA 1.197 57.244 56.100 -0.087 0.000 1.001 1058 R CB 0.012 30.258 30.300 -0.090 0.000 0.866 1058 R HN 0.757 nan 8.270 nan 0.000 0.468 1059 S N -0.599 115.096 115.700 -0.009 0.000 2.687 1059 S HA 0.470 4.939 4.470 -0.001 0.000 0.283 1059 S C 0.062 174.711 174.600 0.082 0.000 1.170 1059 S CA -1.017 57.194 58.200 0.019 0.000 1.008 1059 S CB 2.168 65.364 63.200 -0.007 0.000 1.026 1059 S HN 0.045 nan 8.310 nan 0.000 0.541 1060 S N -0.036 115.727 115.700 0.104 0.000 2.766 1060 S HA 0.592 5.062 4.470 -0.001 0.000 0.307 1060 S C -0.217 174.577 174.600 0.324 0.000 1.121 1060 S CA -0.724 57.587 58.200 0.185 0.000 0.980 1060 S CB 0.124 63.388 63.200 0.108 0.000 1.159 1060 S HN 0.571 nan 8.310 nan 0.000 0.546 1061 F N 0.621 120.553 119.950 -0.030 0.000 2.743 1061 F HA 0.283 4.809 4.527 -0.001 0.000 0.297 1061 F C 2.401 178.177 175.800 -0.040 0.000 1.131 1061 F CA -0.216 57.757 58.000 -0.046 0.000 1.426 1061 F CB -0.500 38.479 39.000 -0.034 0.000 1.116 1061 F HN 0.491 nan 8.300 nan 0.000 0.583 1062 R N 0.881 121.476 120.500 0.158 0.000 2.070 1062 R HA -0.138 4.202 4.340 -0.001 0.000 0.232 1062 R C 0.699 177.015 176.300 0.026 0.000 1.138 1062 R CA 1.147 57.294 56.100 0.078 0.000 0.936 1062 R CB -0.307 30.035 30.300 0.070 0.000 0.839 1062 R HN 0.253 nan 8.270 nan 0.000 0.429 1063 E N -1.095 119.115 120.200 0.017 0.000 2.283 1063 E HA 0.258 4.608 4.350 -0.001 0.000 0.267 1063 E C -0.774 175.786 176.600 -0.067 0.000 1.045 1063 E CA -0.256 56.132 56.400 -0.021 0.000 0.884 1063 E CB 1.187 30.880 29.700 -0.013 0.000 1.106 1063 E HN 0.297 nan 8.360 nan 0.000 0.408 1064 G N 3.114 111.858 108.800 -0.094 0.000 2.209 1064 G HA2 0.079 4.039 3.960 -0.001 0.000 0.271 1064 G HA3 0.079 4.039 3.960 -0.001 0.000 0.271 1064 G C -0.331 174.457 174.900 -0.187 0.000 1.111 1064 G CA -0.157 44.849 45.100 -0.156 0.000 1.092 1064 G HN 0.457 nan 8.290 nan 0.000 0.416 1065 L N 4.260 125.300 121.223 -0.305 0.000 2.562 1065 L HA 0.286 4.625 4.340 -0.001 0.000 0.271 1065 L C 1.273 177.979 176.870 -0.273 0.000 1.167 1065 L CA 0.063 54.721 54.840 -0.303 0.000 0.917 1065 L CB 0.165 41.916 42.059 -0.513 0.000 1.187 1065 L HN 0.558 nan 8.230 nan 0.000 0.482 1066 T N 2.945 117.412 114.554 -0.146 0.000 2.701 1066 T HA 0.164 4.513 4.350 -0.001 0.000 0.303 1066 T C 1.580 176.253 174.700 -0.046 0.000 1.030 1066 T CA 0.053 62.096 62.100 -0.095 0.000 1.010 1066 T CB 0.602 69.435 68.868 -0.059 0.000 1.007 1066 T HN 0.489 nan 8.240 nan 0.000 0.532 1067 V N 2.190 122.098 119.914 -0.011 0.000 2.220 1067 V HA -0.171 3.948 4.120 -0.001 0.000 0.250 1067 V C 2.761 178.913 176.094 0.096 0.000 1.056 1067 V CA 2.195 64.524 62.300 0.048 0.000 1.016 1067 V CB -1.271 30.557 31.823 0.010 0.000 0.639 1067 V HN 0.797 nan 8.190 nan 0.000 0.446 1068 L N -0.497 120.750 121.223 0.040 0.000 2.240 1068 L HA -0.040 4.299 4.340 -0.001 0.000 0.211 1068 L C 2.643 179.571 176.870 0.096 0.000 1.106 1068 L CA 1.056 55.928 54.840 0.053 0.000 0.793 1068 L CB -0.545 41.498 42.059 -0.026 0.000 0.927 1068 L HN 0.378 nan 8.230 nan 0.000 0.446 1069 E N -0.788 119.444 120.200 0.053 0.000 2.338 1069 E HA -0.233 4.117 4.350 -0.001 0.000 0.197 1069 E C 1.767 178.457 176.600 0.151 0.000 1.007 1069 E CA 0.985 57.414 56.400 0.048 0.000 0.849 1069 E CB 0.016 29.714 29.700 -0.002 0.000 0.774 1069 E HN 0.601 nan 8.360 nan 0.000 0.506 1070 Y N -0.397 119.910 120.300 0.011 0.000 2.231 1070 Y HA -0.190 4.360 4.550 -0.001 0.000 0.294 1070 Y C 2.146 178.068 175.900 0.038 0.000 1.120 1070 Y CA 0.371 58.471 58.100 0.000 0.000 1.141 1070 Y CB 0.048 38.493 38.460 -0.024 0.000 1.022 1070 Y HN -0.007 nan 8.280 nan 0.000 0.523 1071 F N 0.484 120.459 119.950 0.041 0.000 2.202 1071 F HA -0.283 4.243 4.527 -0.001 0.000 0.301 1071 F C 1.843 177.619 175.800 -0.039 0.000 1.082 1071 F CA 1.128 59.084 58.000 -0.073 0.000 1.313 1071 F CB -0.240 38.744 39.000 -0.027 0.000 1.024 1071 F HN 0.019 nan 8.300 nan 0.000 0.495 1072 I N -0.628 120.091 120.570 0.249 0.000 2.406 1072 I HA -0.178 3.991 4.170 -0.001 0.000 0.249 1072 I C 2.403 178.646 176.117 0.210 0.000 1.122 1072 I CA 1.066 62.524 61.300 0.264 0.000 1.431 1072 I CB -1.421 36.557 38.000 -0.038 0.000 1.087 1072 I HN 0.066 nan 8.210 nan 0.000 0.424 1073 S N 0.649 116.422 115.700 0.122 0.000 2.382 1073 S HA -0.168 4.301 4.470 -0.001 0.000 0.228 1073 S C 2.167 176.788 174.600 0.035 0.000 1.027 1073 S CA 1.521 59.796 58.200 0.124 0.000 0.991 1073 S CB -0.346 62.964 63.200 0.184 0.000 0.823 1073 S HN 0.555 nan 8.310 nan 0.000 0.469 1074 S N 1.871 117.487 115.700 -0.140 0.000 2.402 1074 S HA -0.256 4.213 4.470 -0.001 0.000 0.233 1074 S C 1.754 176.174 174.600 -0.299 0.000 1.030 1074 S CA 1.256 59.264 58.200 -0.320 0.000 1.003 1074 S CB -0.620 62.220 63.200 -0.599 0.000 0.813 1074 S HN 0.640 nan 8.310 nan 0.000 0.477 1075 H N 0.363 119.354 119.070 -0.132 0.000 2.353 1075 H HA 0.005 4.561 4.556 -0.001 0.000 0.300 1075 H C 2.515 177.842 175.328 -0.002 0.000 1.090 1075 H CA 1.320 57.329 56.048 -0.065 0.000 1.327 1075 H CB -1.040 28.730 29.762 0.013 0.000 1.383 1075 H HN 0.606 nan 8.280 nan 0.000 0.508 1076 G N 0.330 109.222 108.800 0.153 0.000 2.448 1076 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.219 1076 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.219 1076 G C 1.911 176.864 174.900 0.088 0.000 1.127 1076 G CA 0.795 45.968 45.100 0.120 0.000 0.766 1076 G HN 0.490 nan 8.290 nan 0.000 0.552 1077 A N 0.507 123.359 122.820 0.055 0.000 1.935 1077 A HA 0.150 4.470 4.320 -0.001 0.000 0.214 1077 A C 2.485 180.108 177.584 0.064 0.000 1.178 1077 A CA 0.903 52.975 52.037 0.059 0.000 0.640 1077 A CB -0.196 18.813 19.000 0.015 0.000 0.825 1077 A HN 0.166 nan 8.150 nan 0.000 0.447 1078 R N 0.456 120.966 120.500 0.017 0.000 2.081 1078 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 1078 R C 1.896 178.217 176.300 0.035 0.000 1.131 1078 R CA 1.601 57.708 56.100 0.010 0.000 0.960 1078 R CB -0.616 29.669 30.300 -0.026 0.000 0.856 1078 R HN 0.563 nan 8.270 nan 0.000 0.436 1079 K N -0.505 119.925 120.400 0.050 0.000 2.147 1079 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 1079 K C 2.099 178.731 176.600 0.054 0.000 1.049 1079 K CA 1.281 57.595 56.287 0.046 0.000 0.936 1079 K CB -0.245 32.288 32.500 0.055 0.000 0.722 1079 K HN 0.277 nan 8.250 nan 0.000 0.446 1080 G N 0.845 109.707 108.800 0.104 0.000 2.464 1080 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.214 1080 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.214 1080 G C 1.616 176.609 174.900 0.154 0.000 1.218 1080 G CA 0.850 46.057 45.100 0.178 0.000 0.794 1080 G HN 0.391 nan 8.290 nan 0.000 0.542 1081 G N 1.262 110.199 108.800 0.227 0.000 2.596 1081 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.223 1081 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.223 1081 G C 2.002 176.735 174.900 -0.278 0.000 1.120 1081 G CA 1.849 46.949 45.100 -0.001 0.000 0.752 1081 G HN 0.759 nan 8.290 nan 0.000 0.596 1082 A N 1.047 123.787 122.820 -0.134 0.000 1.898 1082 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 1082 A C 1.990 179.467 177.584 -0.179 0.000 1.181 1082 A CA 2.079 54.032 52.037 -0.139 0.000 0.620 1082 A CB -0.603 18.354 19.000 -0.070 0.000 0.819 1082 A HN 0.519 nan 8.150 nan 0.000 0.442 1083 D N -1.086 119.225 120.400 -0.149 0.000 2.127 1083 D HA -0.213 4.426 4.640 -0.001 0.000 0.190 1083 D C 1.862 178.028 176.300 -0.223 0.000 1.000 1083 D CA 2.471 56.394 54.000 -0.128 0.000 0.839 1083 D CB -0.547 40.233 40.800 -0.033 0.000 0.955 1083 D HN 0.257 nan 8.370 nan 0.000 0.446 1084 T N -1.418 112.864 114.554 -0.453 0.000 2.759 1084 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 1084 T C 1.830 176.312 174.700 -0.363 0.000 1.042 1084 T CA 1.723 63.511 62.100 -0.520 0.000 1.140 1084 T CB -0.692 67.426 68.868 -1.251 0.000 0.864 1084 T HN 0.373 nan 8.240 nan 0.000 0.455 1085 A N 0.837 123.448 122.820 -0.348 0.000 1.865 1085 A HA -0.013 4.307 4.320 -0.001 0.000 0.217 1085 A C 2.164 179.656 177.584 -0.153 0.000 1.191 1085 A CA 1.491 53.395 52.037 -0.221 0.000 0.623 1085 A CB -0.900 17.988 19.000 -0.187 0.000 0.826 1085 A HN 0.484 nan 8.150 nan 0.000 0.444 1086 L N -0.488 120.651 121.223 -0.140 0.000 2.083 1086 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 1086 L C 2.650 179.460 176.870 -0.100 0.000 1.083 1086 L CA 1.369 56.143 54.840 -0.111 0.000 0.752 1086 L CB -0.430 41.571 42.059 -0.097 0.000 0.899 1086 L HN 0.225 nan 8.230 nan 0.000 0.433 1087 R N -1.026 119.411 120.500 -0.104 0.000 2.115 1087 R HA -0.000 4.339 4.340 -0.001 0.000 0.226 1087 R C 2.137 178.397 176.300 -0.067 0.000 1.100 1087 R CA 1.367 57.421 56.100 -0.078 0.000 0.980 1087 R CB -1.477 28.778 30.300 -0.074 0.000 0.875 1087 R HN 0.330 nan 8.270 nan 0.000 0.445 1088 T N 1.229 115.732 114.554 -0.086 0.000 2.904 1088 T HA -0.008 4.341 4.350 -0.001 0.000 0.267 1088 T C 1.874 176.553 174.700 -0.035 0.000 1.059 1088 T CA 1.280 63.344 62.100 -0.060 0.000 1.137 1088 T CB -0.103 68.719 68.868 -0.078 0.000 0.879 1088 T HN 0.324 nan 8.240 nan 0.000 0.467 1089 A N 1.528 124.319 122.820 -0.048 0.000 2.014 1089 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 1089 A C 1.831 179.418 177.584 0.005 0.000 1.163 1089 A CA 1.409 53.429 52.037 -0.029 0.000 0.652 1089 A CB -0.372 18.583 19.000 -0.074 0.000 0.808 1089 A HN 0.358 nan 8.150 nan 0.000 0.449 1090 D N -1.245 119.146 120.400 -0.017 0.000 2.350 1090 D HA 0.095 4.735 4.640 -0.001 0.000 0.213 1090 D C 1.928 178.264 176.300 0.059 0.000 1.031 1090 D CA 0.672 54.693 54.000 0.035 0.000 0.861 1090 D CB 0.316 41.107 40.800 -0.016 0.000 0.926 1090 D HN 0.309 nan 8.370 nan 0.000 0.520 1091 S N -0.510 115.202 115.700 0.021 0.000 2.395 1091 S HA -0.022 4.448 4.470 -0.001 0.000 0.225 1091 S C 2.090 176.690 174.600 0.001 0.000 1.027 1091 S CA 0.986 59.189 58.200 0.004 0.000 0.965 1091 S CB -0.194 63.002 63.200 -0.007 0.000 0.812 1091 S HN 0.408 nan 8.310 nan 0.000 0.482 1092 G N -0.625 108.191 108.800 0.027 0.000 2.448 1092 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.218 1092 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.218 1092 G C 1.155 176.058 174.900 0.004 0.000 1.135 1092 G CA 0.235 45.344 45.100 0.015 0.000 0.784 1092 G HN 0.485 nan 8.290 nan 0.000 0.543 1093 Y N -0.218 120.022 120.300 -0.100 0.000 2.133 1093 Y HA -0.058 4.491 4.550 -0.001 0.000 0.287 1093 Y C 2.673 178.468 175.900 -0.174 0.000 1.134 1093 Y CA 0.812 58.835 58.100 -0.128 0.000 1.133 1093 Y CB -0.064 38.338 38.460 -0.096 0.000 0.987 1093 Y HN 0.162 nan 8.280 nan 0.000 0.502 1094 L N -0.286 120.906 121.223 -0.051 0.000 2.013 1094 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 1094 L C 2.311 178.996 176.870 -0.309 0.000 1.073 1094 L CA 2.447 57.151 54.840 -0.226 0.000 0.753 1094 L CB -1.034 40.916 42.059 -0.181 0.000 0.890 1094 L HN 0.237 nan 8.230 nan 0.000 0.432 1095 T N -1.502 112.927 114.554 -0.208 0.000 2.737 1095 T HA -0.229 4.120 4.350 -0.001 0.000 0.265 1095 T C 2.034 176.601 174.700 -0.222 0.000 1.038 1095 T CA 1.508 63.494 62.100 -0.190 0.000 1.144 1095 T CB -0.289 68.511 68.868 -0.113 0.000 0.866 1095 T HN 0.230 nan 8.240 nan 0.000 0.434 1096 R N 0.997 121.341 120.500 -0.261 0.000 2.083 1096 R HA -0.102 4.237 4.340 -0.001 0.000 0.237 1096 R C 2.322 178.392 176.300 -0.383 0.000 1.137 1096 R CA 1.227 57.137 56.100 -0.316 0.000 0.951 1096 R CB -0.001 30.058 30.300 -0.400 0.000 0.851 1096 R HN 0.117 nan 8.270 nan 0.000 0.434 1097 K N 0.362 120.482 120.400 -0.467 0.000 2.002 1097 K HA -0.144 4.176 4.320 -0.001 0.000 0.209 1097 K C 2.061 178.508 176.600 -0.255 0.000 1.048 1097 K CA 1.205 57.239 56.287 -0.422 0.000 0.930 1097 K CB -0.735 31.530 32.500 -0.393 0.000 0.714 1097 K HN 0.132 nan 8.250 nan 0.000 0.438 1098 L N 0.688 121.750 121.223 -0.268 0.000 2.012 1098 L HA -0.168 4.171 4.340 -0.001 0.000 0.210 1098 L C 2.470 179.280 176.870 -0.101 0.000 1.073 1098 L CA 1.221 55.955 54.840 -0.178 0.000 0.748 1098 L CB -0.750 41.156 42.059 -0.254 0.000 0.891 1098 L HN -0.097 nan 8.230 nan 0.000 0.431 1099 V N -0.691 119.147 119.914 -0.126 0.000 2.358 1099 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 1099 V C 2.057 178.121 176.094 -0.050 0.000 1.047 1099 V CA 1.899 64.154 62.300 -0.074 0.000 1.035 1099 V CB -0.530 31.235 31.823 -0.097 0.000 0.658 1099 V HN 0.418 nan 8.190 nan 0.000 0.452 1100 D N -0.307 120.023 120.400 -0.118 0.000 2.182 1100 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 1100 D C 1.888 178.214 176.300 0.043 0.000 0.986 1100 D CA 1.298 55.244 54.000 -0.090 0.000 0.847 1100 D CB -0.019 40.695 40.800 -0.142 0.000 0.942 1100 D HN 0.371 nan 8.370 nan 0.000 0.467 1101 V N -0.827 119.109 119.914 0.037 0.000 2.825 1101 V HA -0.007 4.113 4.120 -0.001 0.000 0.246 1101 V C 1.685 177.829 176.094 0.085 0.000 1.068 1101 V CA 1.240 63.590 62.300 0.084 0.000 1.088 1101 V CB -0.011 31.860 31.823 0.081 0.000 0.733 1101 V HN 0.093 nan 8.190 nan 0.000 0.468 1102 T N 0.122 114.716 114.554 0.067 0.000 3.105 1102 T HA 0.076 4.426 4.350 -0.001 0.000 0.253 1102 T C 1.599 176.314 174.700 0.025 0.000 1.047 1102 T CA 0.280 62.402 62.100 0.037 0.000 0.944 1102 T CB -0.324 68.565 68.868 0.034 0.000 1.016 1102 T HN 0.728 nan 8.240 nan 0.000 0.544 1103 H N 2.167 121.200 119.070 -0.060 0.000 2.436 1103 H HA 0.033 4.589 4.556 -0.001 0.000 0.294 1103 H C 1.777 177.058 175.328 -0.078 0.000 1.048 1103 H CA 1.437 57.444 56.048 -0.068 0.000 1.353 1103 H CB -0.090 29.629 29.762 -0.071 0.000 1.414 1103 H HN 0.583 nan 8.280 nan 0.000 0.536 1104 E N 1.717 121.397 120.200 -0.867 0.000 2.268 1104 E HA -0.061 4.288 4.350 -0.001 0.000 0.195 1104 E C 0.422 176.827 176.600 -0.324 0.000 0.995 1104 E CA 0.075 56.051 56.400 -0.707 0.000 0.836 1104 E CB -0.130 29.173 29.700 -0.661 0.000 0.763 1104 E HN 0.272 nan 8.360 nan 0.000 0.491 1105 I N 3.087 123.530 120.570 -0.212 0.000 2.671 1105 I HA 0.029 4.198 4.170 -0.001 0.000 0.285 1105 I C -0.046 176.005 176.117 -0.110 0.000 1.148 1105 I CA 0.094 61.325 61.300 -0.115 0.000 1.386 1105 I CB -0.231 37.724 38.000 -0.075 0.000 1.406 1105 I HN -0.084 nan 8.210 nan 0.000 0.540 1106 V N 6.756 126.618 119.914 -0.086 0.000 3.007 1106 V HA 0.346 4.466 4.120 -0.001 0.000 0.311 1106 V C -0.011 176.051 176.094 -0.053 0.000 1.120 1106 V CA -0.964 61.292 62.300 -0.074 0.000 0.980 1106 V CB 2.626 34.417 31.823 -0.053 0.000 1.033 1106 V HN 0.333 nan 8.190 nan 0.000 0.429 1107 V N 5.104 124.988 119.914 -0.051 0.000 2.397 1107 V HA 0.355 4.474 4.120 -0.001 0.000 0.262 1107 V C 0.365 176.464 176.094 0.007 0.000 1.047 1107 V CA -0.113 62.174 62.300 -0.022 0.000 1.003 1107 V CB -0.069 31.752 31.823 -0.003 0.000 1.037 1107 V HN 0.914 nan 8.190 nan 0.000 0.480 1108 R N 3.954 124.445 120.500 -0.014 0.000 2.575 1108 R HA 0.718 5.057 4.340 -0.001 0.000 0.292 1108 R C -0.956 175.282 176.300 -0.104 0.000 1.246 1108 R CA -0.678 55.402 56.100 -0.034 0.000 0.973 1108 R CB 1.905 32.204 30.300 -0.001 0.000 1.187 1108 R HN 0.749 nan 8.270 nan 0.000 0.478 1109 E N 2.019 122.096 120.200 -0.205 0.000 2.377 1109 E HA 0.765 5.114 4.350 -0.001 0.000 0.266 1109 E C -1.726 174.690 176.600 -0.307 0.000 1.111 1109 E CA -0.948 55.331 56.400 -0.202 0.000 0.889 1109 E CB 0.758 30.398 29.700 -0.100 0.000 1.644 1109 E HN 0.598 nan 8.360 nan 0.000 0.464 1110 A N 0.248 122.958 122.820 -0.183 0.000 2.515 1110 A HA 0.595 4.914 4.320 -0.001 0.000 0.298 1110 A C -1.423 176.119 177.584 -0.070 0.000 1.059 1110 A CA -0.443 51.516 52.037 -0.131 0.000 0.698 1110 A CB 1.390 20.319 19.000 -0.119 0.000 1.289 1110 A HN 0.713 nan 8.150 nan 0.000 0.404 1111 D N 1.583 121.959 120.400 -0.041 0.000 2.536 1111 D HA 0.080 4.719 4.640 -0.001 0.000 0.260 1111 D C 0.755 177.036 176.300 -0.032 0.000 1.270 1111 D CA 0.434 54.418 54.000 -0.027 0.000 0.934 1111 D CB -0.173 40.614 40.800 -0.021 0.000 1.129 1111 D HN 0.806 nan 8.370 nan 0.000 0.533 1112 C N 4.019 123.301 119.300 -0.030 0.000 2.601 1112 C HA 0.449 4.908 4.460 -0.001 0.000 0.405 1112 C C 1.937 176.913 174.990 -0.022 0.000 1.441 1112 C CA -0.188 58.813 59.018 -0.028 0.000 1.555 1112 C CB -0.454 27.273 27.740 -0.022 0.000 2.450 1112 C HN 0.692 nan 8.230 nan 0.000 0.614 1113 G N 3.789 112.575 108.800 -0.022 0.000 2.509 1113 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.218 1113 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.218 1113 G C 0.888 175.784 174.900 -0.007 0.000 1.124 1113 G CA 0.843 45.933 45.100 -0.016 0.000 0.776 1113 G HN 0.874 nan 8.290 nan 0.000 0.547 1114 T N 1.832 116.383 114.554 -0.005 0.000 2.754 1114 T HA 0.344 4.694 4.350 -0.001 0.000 0.282 1114 T C -0.007 174.706 174.700 0.020 0.000 0.923 1114 T CA 0.085 62.188 62.100 0.006 0.000 1.164 1114 T CB -0.010 68.859 68.868 0.003 0.000 0.873 1114 T HN 0.007 nan 8.240 nan 0.000 0.537 1115 T N 7.177 121.749 114.554 0.031 0.000 3.145 1115 T HA 0.380 4.729 4.350 -0.001 0.000 0.348 1115 T C -0.234 174.527 174.700 0.103 0.000 1.299 1115 T CA -0.870 61.266 62.100 0.060 0.000 1.037 1115 T CB -0.159 68.734 68.868 0.041 0.000 1.122 1115 T HN 0.484 nan 8.240 nan 0.000 0.600 1116 N N 2.711 121.474 118.700 0.106 0.000 2.225 1116 N HA 0.610 5.349 4.740 -0.001 0.000 0.298 1116 N C -0.981 174.591 175.510 0.104 0.000 1.076 1116 N CA -0.713 52.373 53.050 0.060 0.000 0.792 1116 N CB 2.519 41.002 38.487 -0.006 0.000 1.498 1116 N HN 0.640 nan 8.380 nan 0.000 0.474 1117 Y N -1.301 118.993 120.300 -0.010 0.000 2.840 1117 Y HA 0.646 5.195 4.550 -0.001 0.000 0.324 1117 Y C -1.549 174.345 175.900 -0.009 0.000 1.378 1117 Y CA -1.196 56.895 58.100 -0.015 0.000 1.077 1117 Y CB 1.016 39.458 38.460 -0.029 0.000 1.361 1117 Y HN 0.215 nan 8.280 nan 0.000 0.459 1118 I N 1.576 122.268 120.570 0.204 0.000 2.460 1118 I HA 0.416 4.585 4.170 -0.001 0.000 0.298 1118 I C -0.576 175.734 176.117 0.322 0.000 0.989 1118 I CA -0.411 60.962 61.300 0.122 0.000 1.173 1118 I CB 1.839 39.881 38.000 0.070 0.000 1.338 1118 I HN 0.731 nan 8.210 nan 0.000 0.456 1119 S N 5.074 120.896 115.700 0.202 0.000 2.438 1119 S HA 0.423 4.892 4.470 -0.001 0.000 0.316 1119 S C -0.418 174.234 174.600 0.086 0.000 1.084 1119 S CA -0.480 57.847 58.200 0.211 0.000 1.107 1119 S CB 0.827 64.166 63.200 0.232 0.000 0.981 1119 S HN 0.285 nan 8.310 nan 0.000 0.466 1120 V N 7.852 127.794 119.914 0.046 0.000 2.427 1120 V HA 0.249 4.368 4.120 -0.001 0.000 0.268 1120 V C -2.201 173.875 176.094 -0.030 0.000 1.046 1120 V CA -1.745 60.554 62.300 -0.000 0.000 0.970 1120 V CB 0.513 32.321 31.823 -0.025 0.000 1.001 1120 V HN 0.620 nan 8.190 nan 0.000 0.476 1121 P HA 0.210 nan 4.420 nan 0.000 0.276 1121 P C 0.187 177.409 177.300 -0.131 0.000 1.230 1121 P CA -0.183 62.890 63.100 -0.045 0.000 0.776 1121 P CB 0.939 32.644 31.700 0.010 0.000 0.888 1122 L N 2.383 123.427 121.223 -0.299 0.000 2.590 1122 L HA 0.308 4.648 4.340 -0.001 0.000 0.227 1122 L C -0.065 176.495 176.870 -0.517 0.000 1.099 1122 L CA 0.743 55.288 54.840 -0.492 0.000 0.872 1122 L CB -0.117 41.483 42.059 -0.765 0.000 1.088 1122 L HN 0.269 nan 8.230 nan 0.000 0.479 1123 F N -0.467 119.488 119.950 0.009 0.000 2.561 1123 F HA 0.550 5.077 4.527 -0.001 0.000 0.321 1123 F C 0.053 175.860 175.800 0.010 0.000 1.065 1123 F CA -1.213 56.793 58.000 0.009 0.000 0.934 1123 F CB 1.232 40.237 39.000 0.009 0.000 1.215 1123 F HN -0.137 nan 8.300 nan 0.000 0.471 1124 Q N 2.013 121.944 119.800 0.220 0.000 2.340 1124 Q HA 0.511 4.851 4.340 -0.001 0.000 0.268 1124 Q C -2.822 173.234 176.000 0.092 0.000 1.031 1124 Q CA -1.870 54.007 55.803 0.122 0.000 0.804 1124 Q CB 2.525 31.313 28.738 0.083 0.000 1.286 1124 Q HN 0.261 nan 8.270 nan 0.000 0.448 1125 P HA -0.169 nan 4.420 nan 0.000 0.205 1125 P C -0.245 177.071 177.300 0.025 0.000 1.181 1125 P CA 1.250 64.373 63.100 0.038 0.000 0.933 1125 P CB 0.219 31.939 31.700 0.034 0.000 0.775 1126 D N -0.833 119.582 120.400 0.025 0.000 2.464 1126 D HA 0.036 4.675 4.640 -0.001 0.000 0.243 1126 D C 0.387 176.699 176.300 0.020 0.000 1.104 1126 D CA -0.123 53.888 54.000 0.017 0.000 0.883 1126 D CB 0.591 41.399 40.800 0.012 0.000 1.050 1126 D HN -0.071 nan 8.370 nan 0.000 0.524 1127 E N 1.896 122.108 120.200 0.019 0.000 2.175 1127 E HA 0.106 4.456 4.350 -0.001 0.000 0.195 1127 E C 0.064 176.672 176.600 0.013 0.000 0.934 1127 E CA 0.555 56.967 56.400 0.019 0.000 0.870 1127 E CB 0.876 30.590 29.700 0.023 0.000 0.838 1127 E HN 0.264 nan 8.360 nan 0.000 0.474 1128 V N 2.319 122.239 119.914 0.010 0.000 2.459 1128 V HA 0.079 4.198 4.120 -0.001 0.000 0.295 1128 V C 1.454 177.549 176.094 0.003 0.000 1.029 1128 V CA 0.231 62.534 62.300 0.005 0.000 0.874 1128 V CB 1.326 33.151 31.823 0.003 0.000 0.985 1128 V HN 0.492 nan 8.190 nan 0.000 0.438 1129 T N 3.596 118.150 114.554 0.000 0.000 1.881 1129 T HA -0.356 3.994 4.350 -0.001 0.000 0.144 1129 T C 0.802 175.501 174.700 -0.002 0.000 1.872 1129 T CA 1.870 63.969 62.100 -0.002 0.000 0.930 1129 T CB -0.262 68.603 68.868 -0.004 0.000 0.811 1129 T HN 0.551 nan 8.240 nan 0.000 0.402 1130 R N 1.961 122.458 120.500 -0.006 0.000 2.468 1130 R HA 0.569 4.908 4.340 -0.001 0.000 0.302 1130 R C -1.400 174.891 176.300 -0.014 0.000 1.041 1130 R CA 0.253 56.347 56.100 -0.009 0.000 0.899 1130 R CB 1.614 31.907 30.300 -0.012 0.000 1.167 1130 R HN 0.915 nan 8.270 nan 0.000 0.483 1131 S N 3.817 119.509 115.700 -0.014 0.000 2.653 1131 S HA 0.391 4.861 4.470 -0.001 0.000 0.268 1131 S C -1.109 173.475 174.600 -0.027 0.000 1.153 1131 S CA -0.979 57.207 58.200 -0.023 0.000 1.036 1131 S CB 0.755 63.946 63.200 -0.014 0.000 1.103 1131 S HN 0.293 nan 8.310 nan 0.000 0.466 1132 L N 3.962 125.148 121.223 -0.062 0.000 2.416 1132 L HA 0.545 4.885 4.340 -0.001 0.000 0.272 1132 L C 0.903 177.733 176.870 -0.067 0.000 1.161 1132 L CA 0.681 55.466 54.840 -0.091 0.000 0.845 1132 L CB 0.084 42.012 42.059 -0.218 0.000 1.119 1132 L HN 0.884 nan 8.230 nan 0.000 0.464 1133 R N 2.750 123.264 120.500 0.023 0.000 2.740 1133 R HA 0.653 4.992 4.340 -0.001 0.000 0.273 1133 R C -1.271 175.201 176.300 0.286 0.000 0.998 1133 R CA -1.101 55.057 56.100 0.097 0.000 0.900 1133 R CB 1.204 31.549 30.300 0.076 0.000 1.223 1133 R HN 0.390 nan 8.270 nan 0.000 0.466 1134 L N 2.400 123.797 121.223 0.290 0.000 2.360 1134 L HA 0.266 4.605 4.340 -0.001 0.000 0.276 1134 L C 0.565 177.523 176.870 0.146 0.000 1.121 1134 L CA -0.210 54.821 54.840 0.319 0.000 0.845 1134 L CB 0.531 42.722 42.059 0.220 0.000 1.143 1134 L HN 0.547 nan 8.230 nan 0.000 0.452 1135 R N 4.028 124.577 120.500 0.082 0.000 2.811 1135 R HA 0.039 4.379 4.340 -0.001 0.000 0.265 1135 R C -0.138 176.172 176.300 0.016 0.000 1.026 1135 R CA 0.020 56.139 56.100 0.032 0.000 1.142 1135 R CB 0.453 30.742 30.300 -0.018 0.000 1.027 1135 R HN 0.628 nan 8.270 nan 0.000 0.465 1136 K N 2.660 123.068 120.400 0.012 0.000 2.414 1136 K HA -0.081 4.239 4.320 -0.001 0.000 0.272 1136 K C 1.301 177.893 176.600 -0.013 0.000 0.993 1136 K CA -0.106 56.185 56.287 0.007 0.000 0.964 1136 K CB 0.574 33.078 32.500 0.007 0.000 0.925 1136 K HN 0.547 nan 8.250 nan 0.000 0.487 1137 R N 2.171 122.666 120.500 -0.008 0.000 2.122 1137 R HA -0.291 4.049 4.340 -0.001 0.000 0.236 1137 R C 2.013 178.282 176.300 -0.053 0.000 1.129 1137 R CA 2.235 58.322 56.100 -0.022 0.000 0.925 1137 R CB -0.642 29.661 30.300 0.004 0.000 0.850 1137 R HN 0.825 nan 8.270 nan 0.000 0.431 1138 A N 2.133 124.926 122.820 -0.046 0.000 1.870 1138 A HA -0.288 4.031 4.320 -0.001 0.000 0.219 1138 A C 1.830 179.368 177.584 -0.076 0.000 1.224 1138 A CA 2.388 54.386 52.037 -0.066 0.000 0.650 1138 A CB -1.058 17.914 19.000 -0.047 0.000 0.836 1138 A HN 0.768 nan 8.150 nan 0.000 0.454 1139 D N 0.263 120.630 120.400 -0.056 0.000 2.104 1139 D HA -0.189 4.451 4.640 -0.001 0.000 0.194 1139 D C 1.979 178.229 176.300 -0.084 0.000 0.994 1139 D CA 1.684 55.648 54.000 -0.060 0.000 0.830 1139 D CB -0.691 40.089 40.800 -0.034 0.000 0.959 1139 D HN 0.589 nan 8.370 nan 0.000 0.452 1140 I N 1.420 121.941 120.570 -0.082 0.000 2.208 1140 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 1140 I C 2.574 178.625 176.117 -0.110 0.000 1.097 1140 I CA 1.137 62.377 61.300 -0.099 0.000 1.363 1140 I CB -0.347 37.591 38.000 -0.104 0.000 1.051 1140 I HN -0.079 nan 8.210 nan 0.000 0.413 1141 E N 1.233 121.365 120.200 -0.114 0.000 2.058 1141 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 1141 E C 2.386 178.916 176.600 -0.117 0.000 0.997 1141 E CA 1.622 57.956 56.400 -0.109 0.000 0.801 1141 E CB -0.326 29.288 29.700 -0.143 0.000 0.746 1141 E HN 0.548 nan 8.360 nan 0.000 0.450 1142 A N 1.391 124.106 122.820 -0.175 0.000 1.917 1142 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 1142 A C 2.502 179.804 177.584 -0.469 0.000 1.182 1142 A CA 2.157 54.012 52.037 -0.303 0.000 0.633 1142 A CB -1.152 17.729 19.000 -0.199 0.000 0.819 1142 A HN 0.359 nan 8.150 nan 0.000 0.448 1143 G N -0.797 107.856 108.800 -0.246 0.000 2.404 1143 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.215 1143 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.215 1143 G C 1.368 176.199 174.900 -0.115 0.000 1.174 1143 G CA 1.013 46.008 45.100 -0.175 0.000 0.780 1143 G HN 0.426 nan 8.290 nan 0.000 0.537 1144 L N -0.644 120.529 121.223 -0.083 0.000 2.664 1144 L HA 0.307 4.646 4.340 -0.001 0.000 0.233 1144 L C 0.814 177.691 176.870 0.011 0.000 1.113 1144 L CA -0.683 54.134 54.840 -0.038 0.000 0.896 1144 L CB -0.028 41.995 42.059 -0.060 0.000 1.163 1144 L HN 0.304 nan 8.230 nan 0.000 0.497 1145 Y N 1.634 121.915 120.300 -0.032 0.000 2.805 1145 Y HA 0.119 4.668 4.550 -0.001 0.000 0.337 1145 Y C 1.499 177.502 175.900 0.171 0.000 1.252 1145 Y CA 0.513 58.654 58.100 0.068 0.000 1.515 1145 Y CB 0.615 39.118 38.460 0.072 0.000 1.305 1145 Y HN 0.244 nan 8.280 nan 0.000 0.600 1146 G N 5.666 113.905 108.800 -0.935 0.000 2.450 1146 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.302 1146 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.302 1146 G C 0.403 174.969 174.900 -0.557 0.000 0.957 1146 G CA 0.511 45.014 45.100 -0.995 0.000 1.005 1146 G HN 0.714 nan 8.290 nan 0.000 0.514 1147 R N -1.772 118.513 120.500 -0.359 0.000 2.602 1147 R HA 0.656 4.995 4.340 -0.001 0.000 0.237 1147 R C -0.224 175.900 176.300 -0.293 0.000 1.219 1147 R CA -0.760 55.184 56.100 -0.260 0.000 1.121 1147 R CB 1.261 31.472 30.300 -0.148 0.000 1.408 1147 R HN 0.099 nan 8.270 nan 0.000 0.559 1148 V N 2.564 122.307 119.914 -0.284 0.000 2.407 1148 V HA 0.255 4.375 4.120 -0.001 0.000 0.291 1148 V C 0.200 176.126 176.094 -0.280 0.000 1.018 1148 V CA -0.730 61.343 62.300 -0.378 0.000 0.842 1148 V CB 1.532 33.066 31.823 -0.481 0.000 0.996 1148 V HN 0.495 nan 8.190 nan 0.000 0.426 1149 L N 3.846 124.907 121.223 -0.270 0.000 2.601 1149 L HA 0.042 4.382 4.340 -0.001 0.000 0.277 1149 L C 1.694 178.410 176.870 -0.258 0.000 1.219 1149 L CA 0.401 55.094 54.840 -0.245 0.000 0.915 1149 L CB 0.320 42.252 42.059 -0.211 0.000 1.160 1149 L HN 0.837 nan 8.230 nan 0.000 0.494 1150 A N 5.446 128.073 122.820 -0.321 0.000 1.970 1150 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 1150 A C 0.925 178.338 177.584 -0.285 0.000 1.170 1150 A CA 0.765 52.621 52.037 -0.302 0.000 0.645 1150 A CB 0.053 18.803 19.000 -0.417 0.000 0.816 1150 A HN 0.826 nan 8.150 nan 0.000 0.447 1151 R N -0.223 120.067 120.500 -0.349 0.000 2.836 1151 R HA 0.490 4.830 4.340 -0.001 0.000 0.269 1151 R C -0.792 175.398 176.300 -0.183 0.000 1.010 1151 R CA -0.804 55.160 56.100 -0.227 0.000 0.930 1151 R CB 0.943 31.118 30.300 -0.209 0.000 1.218 1151 R HN 0.253 nan 8.270 nan 0.000 0.473 1152 E N 1.861 121.989 120.200 -0.120 0.000 2.360 1152 E HA 0.206 4.556 4.350 -0.001 0.000 0.269 1152 E C -1.118 175.433 176.600 -0.082 0.000 1.022 1152 E CA -0.345 56.000 56.400 -0.092 0.000 0.887 1152 E CB 1.166 30.828 29.700 -0.064 0.000 0.990 1152 E HN 0.338 nan 8.360 nan 0.000 0.426 1153 V N 4.248 124.118 119.914 -0.074 0.000 2.483 1153 V HA 0.196 4.315 4.120 -0.001 0.000 0.297 1153 V C -0.449 175.623 176.094 -0.037 0.000 1.027 1153 V CA -0.804 61.461 62.300 -0.057 0.000 0.855 1153 V CB 1.489 33.270 31.823 -0.069 0.000 0.995 1153 V HN 0.789 nan 8.190 nan 0.000 0.424 1154 E N 3.332 123.518 120.200 -0.024 0.000 2.081 1154 E HA 0.546 4.896 4.350 -0.001 0.000 0.281 1154 E C -0.194 176.402 176.600 -0.007 0.000 0.986 1154 E CA -0.291 56.101 56.400 -0.014 0.000 0.796 1154 E CB 1.376 31.071 29.700 -0.009 0.000 1.085 1154 E HN 0.508 nan 8.360 nan 0.000 0.398 1155 V N 4.253 124.164 119.914 -0.004 0.000 3.945 1155 V HA 0.066 4.186 4.120 -0.001 0.000 0.196 1155 V C 1.595 177.695 176.094 0.010 0.000 1.110 1155 V CA -0.220 62.082 62.300 0.004 0.000 1.411 1155 V CB -0.589 31.235 31.823 0.001 0.000 1.707 1155 V HN 0.644 nan 8.190 nan 0.000 0.477 1156 L N 0.408 121.638 121.223 0.011 0.000 2.492 1156 L HA 0.398 4.738 4.340 -0.001 0.000 0.223 1156 L C 1.605 178.482 176.870 0.011 0.000 1.132 1156 L CA 1.300 56.148 54.840 0.015 0.000 0.850 1156 L CB 0.236 42.306 42.059 0.018 0.000 0.966 1156 L HN 0.805 nan 8.230 nan 0.000 0.454 1157 G N -1.495 107.309 108.800 0.008 0.000 3.751 1157 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.216 1157 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.216 1157 G C -0.036 174.866 174.900 0.004 0.000 0.911 1157 G CA -0.332 44.772 45.100 0.007 0.000 0.869 1157 G HN -0.058 nan 8.290 nan 0.000 0.462 1158 V N 1.693 121.609 119.914 0.004 0.000 2.743 1158 V HA 0.602 4.721 4.120 -0.001 0.000 0.301 1158 V C 0.516 176.607 176.094 -0.004 0.000 1.057 1158 V CA -0.777 61.524 62.300 0.001 0.000 1.006 1158 V CB 1.723 33.548 31.823 0.004 0.000 1.024 1158 V HN 0.316 nan 8.190 nan 0.000 0.473 1159 R N 3.812 124.308 120.500 -0.006 0.000 2.280 1159 R HA 0.400 4.740 4.340 -0.001 0.000 0.326 1159 R C -1.011 175.277 176.300 -0.019 0.000 1.080 1159 R CA -0.536 55.556 56.100 -0.013 0.000 1.002 1159 R CB 0.147 30.440 30.300 -0.011 0.000 1.136 1159 R HN 0.722 nan 8.270 nan 0.000 0.509 1160 L N 6.201 127.407 121.223 -0.027 0.000 2.485 1160 L HA 0.098 4.437 4.340 -0.001 0.000 0.279 1160 L C 1.077 177.916 176.870 -0.052 0.000 1.124 1160 L CA -0.036 54.780 54.840 -0.039 0.000 0.888 1160 L CB 0.105 42.134 42.059 -0.050 0.000 1.217 1160 L HN 0.592 nan 8.230 nan 0.000 0.464 1161 E N 3.122 123.294 120.200 -0.048 0.000 2.391 1161 E HA 0.123 4.473 4.350 -0.001 0.000 0.255 1161 E C -0.196 176.354 176.600 -0.084 0.000 1.187 1161 E CA -0.743 55.624 56.400 -0.054 0.000 0.941 1161 E CB 1.263 30.941 29.700 -0.038 0.000 1.010 1161 E HN 0.420 nan 8.360 nan 0.000 0.458 1162 E N -0.085 120.063 120.200 -0.087 0.000 2.408 1162 E HA 0.071 4.420 4.350 -0.001 0.000 0.259 1162 E C 0.894 177.412 176.600 -0.138 0.000 1.110 1162 E CA 0.937 57.266 56.400 -0.118 0.000 0.929 1162 E CB 0.687 30.328 29.700 -0.099 0.000 0.971 1162 E HN 0.784 nan 8.360 nan 0.000 0.438 1163 G N 3.367 112.051 108.800 -0.192 0.000 2.238 1163 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.270 1163 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.270 1163 G C 0.656 175.334 174.900 -0.370 0.000 0.977 1163 G CA 0.876 45.815 45.100 -0.269 0.000 0.639 1163 G HN 0.520 nan 8.290 nan 0.000 0.544 1164 R N 0.333 120.694 120.500 -0.232 0.000 2.442 1164 R HA 0.290 4.629 4.340 -0.001 0.000 0.291 1164 R C -0.368 175.788 176.300 -0.240 0.000 1.069 1164 R CA -0.346 55.663 56.100 -0.152 0.000 1.022 1164 R CB -0.028 30.233 30.300 -0.063 0.000 0.976 1164 R HN 0.225 nan 8.270 nan 0.000 0.443 1165 Y N 5.077 125.252 120.300 -0.208 0.000 2.480 1165 Y HA 0.109 4.659 4.550 -0.001 0.000 0.341 1165 Y C 0.590 176.242 175.900 -0.413 0.000 1.031 1165 Y CA -0.633 57.233 58.100 -0.391 0.000 1.295 1165 Y CB 0.308 38.422 38.460 -0.576 0.000 1.162 1165 Y HN 0.325 nan 8.280 nan 0.000 0.523 1166 L N 0.719 121.794 121.223 -0.246 0.000 2.385 1166 L HA 0.478 4.817 4.340 -0.001 0.000 0.281 1166 L C 0.437 177.206 176.870 -0.169 0.000 1.106 1166 L CA -0.229 54.512 54.840 -0.164 0.000 0.856 1166 L CB 0.639 42.626 42.059 -0.120 0.000 1.186 1166 L HN 0.447 nan 8.230 nan 0.000 0.453 1167 S N 2.448 118.125 115.700 -0.038 0.000 2.600 1167 S HA 0.170 4.639 4.470 -0.001 0.000 0.265 1167 S C 1.104 175.842 174.600 0.230 0.000 1.325 1167 S CA -0.607 57.684 58.200 0.151 0.000 1.002 1167 S CB 1.056 64.369 63.200 0.187 0.000 0.921 1167 S HN 0.839 nan 8.310 nan 0.000 0.554 1168 M N 1.874 121.707 119.600 0.388 0.000 2.267 1168 M HA -0.099 4.380 4.480 -0.001 0.000 0.263 1168 M C 1.333 177.757 176.300 0.207 0.000 1.063 1168 M CA 1.590 57.071 55.300 0.301 0.000 1.090 1168 M CB -0.482 32.332 32.600 0.357 0.000 1.392 1168 M HN 0.625 nan 8.290 nan 0.000 0.422 1169 D N -0.270 120.273 120.400 0.239 0.000 2.178 1169 D HA -0.159 4.481 4.640 -0.001 0.000 0.202 1169 D C 1.309 177.714 176.300 0.175 0.000 0.974 1169 D CA 1.226 55.370 54.000 0.239 0.000 0.841 1169 D CB -0.163 40.729 40.800 0.152 0.000 0.953 1169 D HN 0.493 nan 8.370 nan 0.000 0.478 1170 D N 0.582 121.051 120.400 0.116 0.000 2.149 1170 D HA -0.073 4.567 4.640 -0.001 0.000 0.201 1170 D C 2.239 178.567 176.300 0.047 0.000 0.972 1170 D CA 0.480 54.519 54.000 0.064 0.000 0.835 1170 D CB 0.305 41.120 40.800 0.025 0.000 0.966 1170 D HN 0.091 nan 8.370 nan 0.000 0.476 1171 V N 1.232 121.168 119.914 0.035 0.000 2.970 1171 V HA -0.149 3.971 4.120 -0.001 0.000 0.260 1171 V C 2.073 178.147 176.094 -0.034 0.000 1.100 1171 V CA 1.125 63.413 62.300 -0.020 0.000 1.122 1171 V CB -0.588 31.213 31.823 -0.037 0.000 0.721 1171 V HN 0.229 nan 8.190 nan 0.000 0.483 1172 H N -0.605 118.485 119.070 0.033 0.000 2.436 1172 H HA 0.075 4.631 4.556 -0.001 0.000 0.294 1172 H C 2.108 177.444 175.328 0.013 0.000 1.048 1172 H CA 1.177 57.240 56.048 0.024 0.000 1.353 1172 H CB 0.236 30.018 29.762 0.035 0.000 1.414 1172 H HN 0.297 nan 8.280 nan 0.000 0.536 1173 L N 0.506 121.814 121.223 0.142 0.000 2.005 1173 L HA -0.142 4.198 4.340 -0.001 0.000 0.207 1173 L C 2.657 179.554 176.870 0.044 0.000 1.072 1173 L CA 1.130 56.015 54.840 0.076 0.000 0.744 1173 L CB -0.884 41.206 42.059 0.053 0.000 0.895 1173 L HN 0.177 nan 8.230 nan 0.000 0.433 1174 L N -1.171 120.064 121.223 0.020 0.000 2.131 1174 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 1174 L C 2.412 179.272 176.870 -0.018 0.000 1.092 1174 L CA 1.248 56.081 54.840 -0.011 0.000 0.759 1174 L CB -0.493 41.541 42.059 -0.041 0.000 0.903 1174 L HN 0.275 nan 8.230 nan 0.000 0.435 1175 I N -0.149 120.419 120.570 -0.004 0.000 2.252 1175 I HA -0.277 3.892 4.170 -0.001 0.000 0.245 1175 I C 2.648 178.788 176.117 0.038 0.000 1.102 1175 I CA 1.176 62.472 61.300 -0.006 0.000 1.385 1175 I CB -0.294 37.715 38.000 0.015 0.000 1.064 1175 I HN 0.219 nan 8.210 nan 0.000 0.414 1176 K N 1.398 121.832 120.400 0.057 0.000 2.209 1176 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 1176 K C 2.121 178.754 176.600 0.055 0.000 1.048 1176 K CA 1.279 57.600 56.287 0.058 0.000 0.940 1176 K CB 0.008 32.540 32.500 0.052 0.000 0.729 1176 K HN 0.312 nan 8.250 nan 0.000 0.451 1177 A N 0.837 123.685 122.820 0.047 0.000 1.898 1177 A HA 0.026 4.346 4.320 -0.001 0.000 0.214 1177 A C 2.272 179.906 177.584 0.085 0.000 1.183 1177 A CA 1.367 53.435 52.037 0.051 0.000 0.622 1177 A CB -0.597 18.423 19.000 0.033 0.000 0.824 1177 A HN 0.404 nan 8.150 nan 0.000 0.444 1178 A N -0.166 122.708 122.820 0.090 0.000 1.972 1178 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 1178 A C 1.861 179.625 177.584 0.299 0.000 1.169 1178 A CA 1.652 53.817 52.037 0.212 0.000 0.635 1178 A CB -0.481 18.514 19.000 -0.010 0.000 0.810 1178 A HN 0.633 nan 8.150 nan 0.000 0.446 1179 E N -0.344 119.962 120.200 0.177 0.000 2.077 1179 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 1179 E C 2.280 178.943 176.600 0.105 0.000 0.989 1179 E CA 1.060 57.547 56.400 0.145 0.000 0.800 1179 E CB -0.241 29.516 29.700 0.095 0.000 0.746 1179 E HN 0.638 nan 8.360 nan 0.000 0.452 1180 A N 0.172 123.045 122.820 0.089 0.000 1.929 1180 A HA 0.099 4.419 4.320 -0.001 0.000 0.216 1180 A C 1.561 179.184 177.584 0.064 0.000 1.176 1180 A CA 1.236 53.310 52.037 0.062 0.000 0.628 1180 A CB -0.265 18.765 19.000 0.050 0.000 0.816 1180 A HN 0.356 nan 8.150 nan 0.000 0.444 1181 G N -1.147 107.717 108.800 0.106 0.000 2.754 1181 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.215 1181 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.215 1181 G C -0.063 174.893 174.900 0.094 0.000 1.121 1181 G CA 0.417 45.580 45.100 0.104 0.000 0.954 1181 G HN 0.313 nan 8.290 nan 0.000 0.511 1182 E N -0.812 119.456 120.200 0.113 0.000 2.474 1182 E HA 0.355 4.704 4.350 -0.001 0.000 0.215 1182 E C 1.076 177.727 176.600 0.084 0.000 0.867 1182 E CA 0.890 57.336 56.400 0.077 0.000 1.135 1182 E CB 0.656 30.387 29.700 0.052 0.000 1.147 1182 E HN 1.001 nan 8.360 nan 0.000 0.534 1183 I N -1.888 118.753 120.570 0.119 0.000 2.607 1183 I HA 0.452 4.621 4.170 -0.001 0.000 0.290 1183 I C -0.243 175.964 176.117 0.150 0.000 1.129 1183 I CA -0.820 60.533 61.300 0.089 0.000 1.042 1183 I CB 2.282 40.291 38.000 0.015 0.000 1.242 1183 I HN -0.341 nan 8.210 nan 0.000 0.421 1184 Q N 2.773 122.678 119.800 0.176 0.000 2.378 1184 Q HA 0.332 4.671 4.340 -0.001 0.000 0.216 1184 Q C -0.245 175.782 176.000 0.044 0.000 0.892 1184 Q CA 0.780 56.749 55.803 0.277 0.000 0.931 1184 Q CB 0.630 29.564 28.738 0.326 0.000 1.086 1184 Q HN 0.696 nan 8.270 nan 0.000 0.528 1185 E N -1.133 119.074 120.200 0.012 0.000 2.442 1185 E HA 0.592 4.941 4.350 -0.001 0.000 0.271 1185 E C -1.047 175.540 176.600 -0.022 0.000 1.002 1185 E CA -0.913 55.483 56.400 -0.006 0.000 0.864 1185 E CB 1.807 31.539 29.700 0.052 0.000 1.573 1185 E HN -0.257 nan 8.360 nan 0.000 0.456 1186 V N 1.833 121.740 119.914 -0.011 0.000 2.668 1186 V HA 0.323 4.442 4.120 -0.001 0.000 0.304 1186 V C -2.566 173.498 176.094 -0.050 0.000 1.071 1186 V CA -1.649 60.621 62.300 -0.048 0.000 0.894 1186 V CB 2.306 34.083 31.823 -0.076 0.000 1.008 1186 V HN 0.478 nan 8.190 nan 0.000 0.425 1187 P HA 0.318 nan 4.420 nan 0.000 0.280 1187 P C -0.916 176.102 177.300 -0.471 0.000 1.300 1187 P CA 0.082 62.813 63.100 -0.614 0.000 0.785 1187 P CB 1.954 33.059 31.700 -0.992 0.000 0.874 1188 V N 5.172 124.958 119.914 -0.214 0.000 2.888 1188 V HA 0.373 4.492 4.120 -0.001 0.000 0.309 1188 V C -0.167 175.923 176.094 -0.006 0.000 1.114 1188 V CA -1.166 61.053 62.300 -0.134 0.000 0.940 1188 V CB 2.620 34.389 31.823 -0.090 0.000 1.021 1188 V HN 0.386 nan 8.190 nan 0.000 0.426 1189 R N 3.127 123.591 120.500 -0.061 0.000 2.538 1189 R HA 0.398 4.737 4.340 -0.001 0.000 0.282 1189 R C -0.202 176.097 176.300 -0.001 0.000 1.009 1189 R CA 0.347 56.439 56.100 -0.014 0.000 1.063 1189 R CB 0.937 31.193 30.300 -0.073 0.000 0.945 1189 R HN 0.729 nan 8.270 nan 0.000 0.414 1190 S N 2.489 118.214 115.700 0.041 0.000 2.541 1190 S HA 0.344 4.814 4.470 -0.001 0.000 0.271 1190 S C -2.209 172.430 174.600 0.064 0.000 1.133 1190 S CA -1.568 56.658 58.200 0.043 0.000 0.876 1190 S CB 1.907 65.138 63.200 0.051 0.000 1.105 1190 S HN 0.243 nan 8.310 nan 0.000 0.470 1191 P HA -0.026 nan 4.420 nan 0.000 0.220 1191 P C 1.146 178.483 177.300 0.062 0.000 1.144 1191 P CA 0.944 64.101 63.100 0.095 0.000 0.800 1191 P CB -0.031 31.752 31.700 0.138 0.000 0.772 1192 L N -1.398 119.859 121.223 0.056 0.000 2.349 1192 L HA -0.104 4.236 4.340 -0.001 0.000 0.220 1192 L C 1.253 178.140 176.870 0.028 0.000 1.130 1192 L CA 1.795 56.658 54.840 0.038 0.000 0.791 1192 L CB -1.228 40.851 42.059 0.032 0.000 0.918 1192 L HN 0.163 nan 8.230 nan 0.000 0.444 1193 T N -5.723 108.850 114.554 0.031 0.000 3.516 1193 T HA 0.194 4.543 4.350 -0.001 0.000 0.300 1193 T C -0.027 174.687 174.700 0.023 0.000 0.995 1193 T CA -0.604 61.508 62.100 0.021 0.000 0.982 1193 T CB -0.651 68.228 68.868 0.018 0.000 1.199 1193 T HN 0.098 nan 8.240 nan 0.000 0.481 1194 C N 2.225 121.538 119.300 0.022 0.000 2.580 1194 C HA 0.470 4.929 4.460 -0.001 0.000 0.371 1194 C C 2.075 177.061 174.990 -0.006 0.000 1.308 1194 C CA 0.154 59.180 59.018 0.013 0.000 2.428 1194 C CB 1.236 28.987 27.740 0.019 0.000 2.529 1194 C HN 0.894 nan 8.230 nan 0.000 0.657 1195 Q N 1.055 120.845 119.800 -0.017 0.000 2.304 1195 Q HA 0.088 4.427 4.340 -0.001 0.000 0.204 1195 Q C 0.557 176.522 176.000 -0.059 0.000 0.936 1195 Q CA 0.667 56.449 55.803 -0.036 0.000 0.878 1195 Q CB -0.599 28.119 28.738 -0.033 0.000 0.983 1195 Q HN 0.729 nan 8.270 nan 0.000 0.516 1196 T N 2.912 117.436 114.554 -0.049 0.000 2.708 1196 T HA 0.002 4.351 4.350 -0.001 0.000 0.257 1196 T C 0.510 175.164 174.700 -0.077 0.000 1.002 1196 T CA 0.318 62.381 62.100 -0.062 0.000 1.269 1196 T CB 0.306 69.151 68.868 -0.039 0.000 0.966 1196 T HN 0.474 nan 8.240 nan 0.000 0.534 1197 R N 2.978 123.382 120.500 -0.160 0.000 2.206 1197 R HA -0.211 4.128 4.340 -0.001 0.000 0.240 1197 R C 0.210 176.424 176.300 -0.143 0.000 1.117 1197 R CA 1.636 57.560 56.100 -0.293 0.000 0.915 1197 R CB -0.753 29.208 30.300 -0.565 0.000 0.888 1197 R HN 0.698 nan 8.270 nan 0.000 0.432 1198 Y N 1.281 121.526 120.300 -0.093 0.000 2.478 1198 Y HA 0.549 5.099 4.550 -0.001 0.000 0.329 1198 Y C 0.426 176.277 175.900 -0.082 0.000 0.967 1198 Y CA -0.546 57.498 58.100 -0.093 0.000 1.255 1198 Y CB 1.744 40.145 38.460 -0.099 0.000 1.103 1198 Y HN 0.684 nan 8.280 nan 0.000 0.497 1199 G N 0.908 109.761 108.800 0.090 0.000 2.362 1199 G HA2 0.154 4.114 3.960 -0.001 0.000 0.656 1199 G HA3 0.154 4.114 3.960 -0.001 0.000 0.656 1199 G C -2.248 172.653 174.900 0.001 0.000 1.376 1199 G CA -1.136 43.975 45.100 0.017 0.000 0.971 1199 G HN 0.393 nan 8.290 nan 0.000 0.636 1200 V N 0.245 120.150 119.914 -0.016 0.000 2.735 1200 V HA 0.638 4.757 4.120 -0.001 0.000 0.310 1200 V C 1.175 177.274 176.094 0.007 0.000 1.061 1200 V CA -0.192 62.107 62.300 -0.001 0.000 0.913 1200 V CB 1.422 33.245 31.823 -0.000 0.000 1.005 1200 V HN 1.726 nan 8.190 nan 0.000 0.428 1201 C N 2.697 122.010 119.300 0.022 0.000 2.396 1201 C HA 0.396 4.856 4.460 -0.001 0.000 0.359 1201 C C 1.802 176.837 174.990 0.076 0.000 1.307 1201 C CA -0.203 58.828 59.018 0.022 0.000 2.392 1201 C CB 0.715 28.455 27.740 -0.000 0.000 2.245 1201 C HN 1.027 nan 8.230 nan 0.000 0.615 1202 Q N 0.443 120.289 119.800 0.077 0.000 2.079 1202 Q HA -0.116 4.223 4.340 -0.001 0.000 0.200 1202 Q C 1.994 178.083 176.000 0.148 0.000 0.974 1202 Q CA 1.389 57.278 55.803 0.143 0.000 0.840 1202 Q CB -0.082 28.739 28.738 0.138 0.000 0.898 1202 Q HN 0.715 nan 8.270 nan 0.000 0.430 1203 K N -0.221 120.213 120.400 0.058 0.000 2.228 1203 K HA -0.034 4.285 4.320 -0.001 0.000 0.202 1203 K C 2.054 178.622 176.600 -0.053 0.000 1.051 1203 K CA 0.633 56.890 56.287 -0.051 0.000 0.960 1203 K CB -0.106 32.334 32.500 -0.100 0.000 0.743 1203 K HN 0.308 nan 8.250 nan 0.000 0.458 1204 C N 0.158 119.467 119.300 0.016 0.000 2.486 1204 C HA -0.072 4.387 4.460 -0.001 0.000 0.279 1204 C C 2.489 177.525 174.990 0.077 0.000 1.302 1204 C CA 0.128 59.165 59.018 0.032 0.000 1.720 1204 C CB -0.707 27.068 27.740 0.058 0.000 2.030 1204 C HN 0.415 nan 8.230 nan 0.000 0.490 1205 Y N 1.369 121.661 120.300 -0.014 0.000 2.113 1205 Y HA 0.337 4.887 4.550 -0.001 0.000 0.269 1205 Y C 1.648 177.528 175.900 -0.033 0.000 1.098 1205 Y CA 1.945 60.033 58.100 -0.020 0.000 1.083 1205 Y CB -0.802 37.663 38.460 0.007 0.000 0.997 1205 Y HN 0.395 nan 8.280 nan 0.000 0.476 1206 G N -2.802 105.970 108.800 -0.046 0.000 2.451 1206 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.083 1206 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.083 1206 G C 0.253 175.263 174.900 0.183 0.000 1.107 1206 G CA -0.003 45.056 45.100 -0.068 0.000 1.117 1206 G HN 0.323 nan 8.290 nan 0.000 0.454 1207 Y N 0.482 120.705 120.300 -0.128 0.000 2.269 1207 Y HA 0.274 4.824 4.550 -0.001 0.000 0.279 1207 Y C 1.111 176.993 175.900 -0.030 0.000 1.118 1207 Y CA 0.447 58.490 58.100 -0.095 0.000 1.145 1207 Y CB 0.389 38.726 38.460 -0.205 0.000 1.081 1207 Y HN 0.369 nan 8.280 nan 0.000 0.501 1208 D N 2.281 122.750 120.400 0.115 0.000 2.389 1208 D HA 0.019 4.658 4.640 -0.001 0.000 0.278 1208 D C -0.347 176.068 176.300 0.191 0.000 1.398 1208 D CA 0.412 54.497 54.000 0.142 0.000 1.090 1208 D CB -0.270 40.636 40.800 0.177 0.000 1.108 1208 D HN 0.153 nan 8.370 nan 0.000 0.532 1209 L N 2.392 123.709 121.223 0.157 0.000 2.657 1209 L HA 0.244 4.584 4.340 -0.001 0.000 0.240 1209 L C 1.484 178.445 176.870 0.152 0.000 1.151 1209 L CA -0.452 54.483 54.840 0.160 0.000 0.831 1209 L CB 0.719 42.843 42.059 0.108 0.000 1.539 1209 L HN 0.235 nan 8.230 nan 0.000 0.511 1210 S N 0.195 115.976 115.700 0.134 0.000 2.420 1210 S HA -0.122 4.347 4.470 -0.001 0.000 0.237 1210 S C 0.853 175.563 174.600 0.184 0.000 1.023 1210 S CA 1.101 59.387 58.200 0.142 0.000 0.991 1210 S CB -0.381 62.892 63.200 0.122 0.000 0.792 1210 S HN 0.483 nan 8.310 nan 0.000 0.488 1211 M N 0.805 120.498 119.600 0.156 0.000 2.202 1211 M HA 0.304 4.783 4.480 -0.001 0.000 0.316 1211 M C 1.037 177.418 176.300 0.134 0.000 1.138 1211 M CA -0.074 55.323 55.300 0.162 0.000 1.151 1211 M CB 0.867 33.485 32.600 0.030 0.000 1.422 1211 M HN 0.197 nan 8.290 nan 0.000 0.471 1212 A N 2.828 125.719 122.820 0.119 0.000 2.218 1212 A HA 0.064 4.384 4.320 -0.001 0.000 0.209 1212 A C 0.748 177.973 177.584 -0.598 0.000 1.168 1212 A CA 0.153 52.144 52.037 -0.077 0.000 0.804 1212 A CB -0.145 18.919 19.000 0.106 0.000 0.834 1212 A HN 0.847 nan 8.150 nan 0.000 0.482 1213 R N -0.400 119.858 120.500 -0.402 0.000 2.546 1213 R HA 0.468 4.808 4.340 -0.001 0.000 0.266 1213 R C -2.833 173.306 176.300 -0.269 0.000 1.086 1213 R CA -1.730 54.103 56.100 -0.445 0.000 1.160 1213 R CB -0.641 29.519 30.300 -0.233 0.000 1.138 1213 R HN -0.137 nan 8.270 nan 0.000 0.567 1214 P HA -0.158 nan 4.420 nan 0.000 0.269 1214 P C -0.563 176.772 177.300 0.059 0.000 1.200 1214 P CA 0.091 63.173 63.100 -0.030 0.000 0.779 1214 P CB 0.280 31.795 31.700 -0.308 0.000 0.841 1215 V N 2.536 122.550 119.914 0.166 0.000 2.655 1215 V HA -0.007 4.113 4.120 -0.001 0.000 0.300 1215 V C 0.705 176.883 176.094 0.140 0.000 1.044 1215 V CA 0.664 63.075 62.300 0.184 0.000 1.095 1215 V CB 0.256 32.266 31.823 0.311 0.000 0.952 1215 V HN 0.494 nan 8.190 nan 0.000 0.485 1216 S N 5.521 121.288 115.700 0.112 0.000 2.489 1216 S HA 0.486 4.955 4.470 -0.001 0.000 0.277 1216 S C 0.111 174.786 174.600 0.125 0.000 1.230 1216 S CA -0.448 57.816 58.200 0.106 0.000 1.053 1216 S CB 0.482 63.726 63.200 0.073 0.000 0.955 1216 S HN 0.497 nan 8.310 nan 0.000 0.488 1217 I N 2.440 123.110 120.570 0.166 0.000 2.845 1217 I HA 0.113 4.282 4.170 -0.001 0.000 0.296 1217 I C 1.412 177.635 176.117 0.177 0.000 1.216 1217 I CA 0.827 62.237 61.300 0.184 0.000 1.438 1217 I CB -0.054 38.128 38.000 0.303 0.000 1.342 1217 I HN 0.966 nan 8.210 nan 0.000 0.577 1218 G N 3.816 112.692 108.800 0.126 0.000 2.130 1218 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 1218 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 1218 G C -0.154 174.781 174.900 0.059 0.000 0.999 1218 G CA -0.116 45.044 45.100 0.101 0.000 0.686 1218 G HN 0.707 nan 8.290 nan 0.000 0.515 1219 E N 0.397 120.621 120.200 0.040 0.000 2.216 1219 E HA 0.716 5.066 4.350 -0.001 0.000 0.279 1219 E C 0.567 177.154 176.600 -0.022 0.000 0.997 1219 E CA 0.056 56.468 56.400 0.021 0.000 0.817 1219 E CB 1.108 30.829 29.700 0.035 0.000 1.096 1219 E HN 0.882 nan 8.360 nan 0.000 0.393 1220 A N 5.061 127.872 122.820 -0.015 0.000 2.990 1220 A HA 0.224 4.543 4.320 -0.001 0.000 0.282 1220 A C 0.805 178.353 177.584 -0.059 0.000 1.688 1220 A CA -0.383 51.634 52.037 -0.035 0.000 1.391 1220 A CB -0.579 18.415 19.000 -0.011 0.000 1.112 1220 A HN 0.571 nan 8.150 nan 0.000 0.588 1221 V N 2.625 122.454 119.914 -0.141 0.000 2.222 1221 V HA -0.211 3.908 4.120 -0.001 0.000 0.240 1221 V C 2.937 178.969 176.094 -0.103 0.000 1.040 1221 V CA 2.589 64.754 62.300 -0.226 0.000 0.988 1221 V CB -1.416 30.004 31.823 -0.671 0.000 0.633 1221 V HN 0.794 nan 8.190 nan 0.000 0.452 1222 G N 0.470 109.205 108.800 -0.107 0.000 2.759 1222 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.224 1222 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.224 1222 G C 1.428 176.310 174.900 -0.031 0.000 1.173 1222 G CA 2.020 47.101 45.100 -0.032 0.000 0.770 1222 G HN 0.559 nan 8.290 nan 0.000 0.626 1223 I N 0.154 120.703 120.570 -0.035 0.000 2.091 1223 I HA -0.239 3.930 4.170 -0.001 0.000 0.239 1223 I C 2.767 178.844 176.117 -0.067 0.000 1.061 1223 I CA 1.223 62.502 61.300 -0.036 0.000 1.317 1223 I CB -1.058 36.932 38.000 -0.017 0.000 1.031 1223 I HN 0.091 nan 8.210 nan 0.000 0.401 1224 V N 1.353 121.231 119.914 -0.060 0.000 2.313 1224 V HA -0.394 3.726 4.120 -0.001 0.000 0.253 1224 V C 2.810 178.713 176.094 -0.318 0.000 1.070 1224 V CA 2.331 64.577 62.300 -0.091 0.000 1.057 1224 V CB -1.144 30.692 31.823 0.022 0.000 0.653 1224 V HN 0.589 nan 8.190 nan 0.000 0.450 1225 A N -0.385 122.206 122.820 -0.382 0.000 1.858 1225 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 1225 A C 2.455 179.872 177.584 -0.278 0.000 1.190 1225 A CA 2.236 53.917 52.037 -0.594 0.000 0.617 1225 A CB -0.949 18.057 19.000 0.010 0.000 0.827 1225 A HN 0.615 nan 8.150 nan 0.000 0.443 1226 A N -0.425 122.307 122.820 -0.146 0.000 1.883 1226 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 1226 A C 2.119 179.628 177.584 -0.126 0.000 1.186 1226 A CA 1.966 53.927 52.037 -0.126 0.000 0.624 1226 A CB -0.782 18.158 19.000 -0.100 0.000 0.822 1226 A HN 0.659 nan 8.150 nan 0.000 0.444 1227 Q N 0.229 119.965 119.800 -0.106 0.000 2.096 1227 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 1227 Q C 2.368 178.328 176.000 -0.065 0.000 0.982 1227 Q CA 2.089 57.856 55.803 -0.061 0.000 0.850 1227 Q CB -0.425 28.299 28.738 -0.023 0.000 0.901 1227 Q HN 0.842 nan 8.270 nan 0.000 0.422 1228 S N 0.222 115.843 115.700 -0.132 0.000 2.423 1228 S HA -0.087 4.383 4.470 -0.001 0.000 0.231 1228 S C 1.862 176.430 174.600 -0.052 0.000 1.014 1228 S CA 0.804 58.929 58.200 -0.125 0.000 0.965 1228 S CB -0.257 62.812 63.200 -0.219 0.000 0.785 1228 S HN 0.352 nan 8.310 nan 0.000 0.495 1229 I N 1.407 121.944 120.570 -0.054 0.000 2.852 1229 I HA 0.133 4.302 4.170 -0.001 0.000 0.264 1229 I C 2.699 178.848 176.117 0.053 0.000 1.179 1229 I CA 0.630 61.949 61.300 0.031 0.000 1.480 1229 I CB -0.632 37.334 38.000 -0.056 0.000 1.111 1229 I HN 0.468 nan 8.210 nan 0.000 0.441 1230 G N 0.725 109.509 108.800 -0.027 0.000 2.404 1230 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.214 1230 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.214 1230 G C 1.489 176.390 174.900 0.002 0.000 1.189 1230 G CA 0.546 45.632 45.100 -0.025 0.000 0.789 1230 G HN 0.387 nan 8.290 nan 0.000 0.533 1231 E N 1.364 121.561 120.200 -0.005 0.000 2.048 1231 E HA -0.169 4.180 4.350 -0.001 0.000 0.202 1231 E C -0.071 176.520 176.600 -0.015 0.000 1.021 1231 E CA 1.640 58.033 56.400 -0.012 0.000 0.825 1231 E CB -1.015 28.630 29.700 -0.093 0.000 0.756 1231 E HN 0.241 nan 8.360 nan 0.000 0.454 1232 P HA -0.128 nan 4.420 nan 0.000 0.217 1232 P C 1.231 178.511 177.300 -0.033 0.000 1.148 1232 P CA 2.232 65.343 63.100 0.018 0.000 0.834 1232 P CB -0.437 31.353 31.700 0.150 0.000 0.783 1233 G N -1.482 107.310 108.800 -0.012 0.000 2.394 1233 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.215 1233 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.215 1233 G C 1.177 176.056 174.900 -0.036 0.000 1.165 1233 G CA 0.996 46.061 45.100 -0.058 0.000 0.784 1233 G HN 0.212 nan 8.290 nan 0.000 0.535 1234 T N 0.410 114.957 114.554 -0.012 0.000 3.160 1234 T HA 0.091 4.441 4.350 -0.001 0.000 0.257 1234 T C 1.996 176.704 174.700 0.013 0.000 1.147 1234 T CA 0.754 62.854 62.100 0.000 0.000 1.064 1234 T CB 0.159 69.034 68.868 0.012 0.000 0.949 1234 T HN 0.380 nan 8.240 nan 0.000 0.526 1235 Q N -0.255 119.547 119.800 0.004 0.000 2.423 1235 Q HA 0.350 4.689 4.340 -0.001 0.000 0.231 1235 Q C 1.840 177.849 176.000 0.014 0.000 0.894 1235 Q CA 0.165 55.977 55.803 0.016 0.000 0.938 1235 Q CB 0.330 29.070 28.738 0.002 0.000 1.079 1235 Q HN 0.394 nan 8.270 nan 0.000 0.552 1236 L N 0.137 121.353 121.223 -0.011 0.000 2.416 1236 L HA 0.078 4.418 4.340 -0.001 0.000 0.216 1236 L C 1.518 178.396 176.870 0.014 0.000 1.098 1236 L CA 0.995 55.827 54.840 -0.014 0.000 0.840 1236 L CB -0.003 42.017 42.059 -0.065 0.000 0.981 1236 L HN 0.254 nan 8.230 nan 0.000 0.462 1237 T N -2.765 111.801 114.554 0.020 0.000 3.065 1237 T HA 0.121 4.471 4.350 -0.001 0.000 0.252 1237 T C 1.681 176.482 174.700 0.169 0.000 1.099 1237 T CA 0.266 62.400 62.100 0.056 0.000 1.063 1237 T CB 0.152 69.022 68.868 0.003 0.000 0.948 1237 T HN 0.164 nan 8.240 nan 0.000 0.506 1238 M N 0.152 119.855 119.600 0.172 0.000 2.510 1238 M HA 0.305 4.784 4.480 -0.001 0.000 0.256 1238 M C 2.390 178.863 176.300 0.289 0.000 1.132 1238 M CA 0.504 56.010 55.300 0.343 0.000 1.105 1238 M CB 0.079 32.779 32.600 0.168 0.000 1.375 1238 M HN -0.009 nan 8.290 nan 0.000 0.477 1239 R N -0.196 120.391 120.500 0.144 0.000 2.280 1239 R HA 0.072 4.411 4.340 -0.001 0.000 0.195 1239 R C 1.137 177.445 176.300 0.014 0.000 0.935 1239 R CA 0.811 56.947 56.100 0.061 0.000 1.033 1239 R CB 0.272 30.600 30.300 0.046 0.000 0.964 1239 R HN 0.233 nan 8.270 nan 0.000 0.489 1240 T N 0.140 114.738 114.554 0.072 0.000 3.031 1240 T HA -0.035 4.314 4.350 -0.001 0.000 0.254 1240 T C 1.248 175.988 174.700 0.067 0.000 1.060 1240 T CA 0.486 62.617 62.100 0.052 0.000 1.135 1240 T CB -0.086 68.823 68.868 0.068 0.000 0.896 1240 T HN 0.354 nan 8.240 nan 0.000 0.472 1241 F N 0.689 120.656 119.950 0.028 0.000 2.259 1241 F HA 0.183 4.710 4.527 -0.001 0.000 0.298 1241 F C 2.110 177.968 175.800 0.096 0.000 1.088 1241 F CA 0.826 58.846 58.000 0.034 0.000 1.358 1241 F CB -0.750 38.245 39.000 -0.008 0.000 1.040 1241 F HN 0.238 nan 8.300 nan 0.000 0.505 1242 H N 0.035 118.315 119.070 -1.316 0.000 2.428 1242 H HA -0.051 4.504 4.556 -0.001 0.000 0.296 1242 H C 1.407 176.465 175.328 -0.449 0.000 1.062 1242 H CA 1.401 56.758 56.048 -1.152 0.000 1.350 1242 H CB 0.315 29.480 29.762 -0.995 0.000 1.403 1242 H HN 0.487 nan 8.280 nan 0.000 0.533 1243 T N -5.158 109.289 114.554 -0.178 0.000 3.087 1243 T HA 0.278 4.628 4.350 -0.001 0.000 0.283 1243 T C 1.256 175.904 174.700 -0.087 0.000 0.956 1243 T CA 0.380 62.400 62.100 -0.133 0.000 0.894 1243 T CB 1.158 69.955 68.868 -0.119 0.000 1.160 1243 T HN 0.260 nan 8.240 nan 0.000 0.532 1244 G N -0.851 107.918 108.800 -0.052 0.000 4.211 1244 G HA2 0.552 4.511 3.960 -0.001 0.000 0.192 1244 G HA3 0.552 4.511 3.960 -0.001 0.000 0.192 1244 G C 0.409 175.299 174.900 -0.017 0.000 0.951 1244 G CA 0.163 45.235 45.100 -0.046 0.000 0.804 1244 G HN 0.969 nan 8.290 nan 0.000 0.489 1245 G N -0.758 108.049 108.800 0.013 0.000 2.593 1245 G HA2 0.436 4.395 3.960 -0.001 0.000 0.103 1245 G HA3 0.436 4.395 3.960 -0.001 0.000 0.103 1245 G C 0.070 174.996 174.900 0.044 0.000 1.103 1245 G CA 0.663 45.779 45.100 0.025 0.000 1.109 1245 G HN 0.581 nan 8.290 nan 0.000 0.516 1246 V N 0.843 120.781 119.914 0.039 0.000 3.064 1246 V HA 0.434 4.554 4.120 -0.001 0.000 0.215 1246 V C 3.145 179.260 176.094 0.035 0.000 1.167 1246 V CA 2.064 64.391 62.300 0.045 0.000 1.286 1246 V CB -0.776 31.076 31.823 0.048 0.000 1.103 1246 V HN 1.183 nan 8.190 nan 0.000 0.510 1247 A N 1.005 123.842 122.820 0.028 0.000 1.896 1247 A HA -0.231 4.089 4.320 -0.001 0.000 0.220 1247 A C 2.310 179.906 177.584 0.020 0.000 1.206 1247 A CA 2.696 54.746 52.037 0.022 0.000 0.647 1247 A CB -1.622 17.388 19.000 0.017 0.000 0.828 1247 A HN 0.721 nan 8.150 nan 0.000 0.455 1248 G N -0.865 107.946 108.800 0.018 0.000 2.469 1248 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.220 1248 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.220 1248 G C 1.708 176.623 174.900 0.025 0.000 1.136 1248 G CA 1.663 46.773 45.100 0.017 0.000 0.759 1248 G HN 0.956 nan 8.290 nan 0.000 0.562 1249 A N 1.048 123.888 122.820 0.034 0.000 1.902 1249 A HA 0.287 4.606 4.320 -0.001 0.000 0.217 1249 A C 2.823 180.425 177.584 0.030 0.000 1.181 1249 A CA 2.229 54.291 52.037 0.041 0.000 0.623 1249 A CB -0.737 18.293 19.000 0.049 0.000 0.818 1249 A HN 0.792 nan 8.150 nan 0.000 0.443 1250 A N 0.219 123.054 122.820 0.026 0.000 1.898 1250 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 1250 A C 1.754 179.347 177.584 0.016 0.000 1.181 1250 A CA 1.737 53.787 52.037 0.021 0.000 0.620 1250 A CB -0.573 18.440 19.000 0.022 0.000 0.819 1250 A HN 0.489 nan 8.150 nan 0.000 0.442 1251 D N 0.686 121.094 120.400 0.014 0.000 2.103 1251 D HA -0.218 4.422 4.640 -0.001 0.000 0.190 1251 D C 1.982 178.280 176.300 -0.003 0.000 0.997 1251 D CA 2.048 56.051 54.000 0.006 0.000 0.833 1251 D CB -0.701 40.101 40.800 0.004 0.000 0.961 1251 D HN 0.705 nan 8.370 nan 0.000 0.447 1252 I N 0.124 120.693 120.570 -0.002 0.000 2.142 1252 I HA -0.217 3.952 4.170 -0.001 0.000 0.240 1252 I C 2.542 178.654 176.117 -0.009 0.000 1.078 1252 I CA 2.047 63.340 61.300 -0.011 0.000 1.343 1252 I CB -1.312 36.692 38.000 0.008 0.000 1.046 1252 I HN -0.045 nan 8.210 nan 0.000 0.405 1253 T N -1.378 113.178 114.554 0.003 0.000 2.821 1253 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 1253 T C 1.924 176.626 174.700 0.004 0.000 1.046 1253 T CA 1.456 63.557 62.100 0.001 0.000 1.139 1253 T CB -0.604 68.268 68.868 0.006 0.000 0.871 1253 T HN 0.534 nan 8.240 nan 0.000 0.454 1254 Q N 0.678 120.483 119.800 0.009 0.000 2.123 1254 Q HA 0.074 4.413 4.340 -0.001 0.000 0.199 1254 Q C 2.679 178.691 176.000 0.020 0.000 0.966 1254 Q CA 1.223 57.036 55.803 0.017 0.000 0.845 1254 Q CB -0.532 28.218 28.738 0.020 0.000 0.907 1254 Q HN 0.734 nan 8.270 nan 0.000 0.439 1255 G N 0.960 109.764 108.800 0.007 0.000 2.453 1255 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.215 1255 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.215 1255 G C 1.344 176.255 174.900 0.017 0.000 1.201 1255 G CA 0.626 45.729 45.100 0.005 0.000 0.784 1255 G HN 0.169 nan 8.290 nan 0.000 0.545 1256 L N 1.230 122.450 121.223 -0.005 0.000 2.051 1256 L HA -0.100 4.240 4.340 -0.001 0.000 0.214 1256 L C 0.179 177.071 176.870 0.036 0.000 1.076 1256 L CA 1.869 56.714 54.840 0.007 0.000 0.758 1256 L CB -1.005 41.045 42.059 -0.015 0.000 0.890 1256 L HN 0.201 nan 8.230 nan 0.000 0.433 1257 P HA -0.124 nan 4.420 nan 0.000 0.216 1257 P C 1.573 178.912 177.300 0.065 0.000 1.153 1257 P CA 1.064 64.188 63.100 0.039 0.000 0.844 1257 P CB 0.086 31.802 31.700 0.026 0.000 0.787 1258 R N -0.280 120.262 120.500 0.070 0.000 2.075 1258 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 1258 R C 1.735 178.112 176.300 0.128 0.000 1.126 1258 R CA 1.313 57.465 56.100 0.088 0.000 0.963 1258 R CB -1.347 29.002 30.300 0.083 0.000 0.858 1258 R HN 0.007 nan 8.270 nan 0.000 0.435 1259 V N 0.194 120.208 119.914 0.167 0.000 3.141 1259 V HA -0.092 4.028 4.120 -0.001 0.000 0.265 1259 V C 1.805 178.083 176.094 0.306 0.000 1.126 1259 V CA 0.938 63.410 62.300 0.287 0.000 1.141 1259 V CB -0.400 31.636 31.823 0.356 0.000 0.743 1259 V HN 0.185 nan 8.190 nan 0.000 0.492 1260 I N 0.178 120.863 120.570 0.192 0.000 2.703 1260 I HA -0.022 4.147 4.170 -0.001 0.000 0.259 1260 I C 2.264 178.480 176.117 0.164 0.000 1.151 1260 I CA 1.236 62.642 61.300 0.177 0.000 1.470 1260 I CB -0.018 38.047 38.000 0.109 0.000 1.112 1260 I HN 0.231 nan 8.210 nan 0.000 0.437 1261 E N -0.601 119.676 120.200 0.128 0.000 2.371 1261 E HA -0.081 4.269 4.350 -0.001 0.000 0.194 1261 E C 1.861 178.515 176.600 0.091 0.000 1.012 1261 E CA 0.540 57.002 56.400 0.103 0.000 0.860 1261 E CB 0.106 29.856 29.700 0.083 0.000 0.811 1261 E HN 0.240 nan 8.360 nan 0.000 0.502 1262 L N -0.930 120.346 121.223 0.089 0.000 2.162 1262 L HA 0.029 4.369 4.340 -0.001 0.000 0.205 1262 L C 1.484 178.284 176.870 -0.116 0.000 1.086 1262 L CA 1.247 56.065 54.840 -0.036 0.000 0.778 1262 L CB -0.103 41.902 42.059 -0.090 0.000 0.928 1262 L HN 0.111 nan 8.230 nan 0.000 0.446 1263 F N -0.839 119.123 119.950 0.021 0.000 2.234 1263 F HA -0.013 4.513 4.527 -0.001 0.000 0.296 1263 F C 1.591 177.405 175.800 0.023 0.000 1.089 1263 F CA 0.643 58.649 58.000 0.010 0.000 1.343 1263 F CB 0.097 39.103 39.000 0.010 0.000 1.040 1263 F HN -0.095 nan 8.300 nan 0.000 0.498 1264 E N 0.791 121.110 120.200 0.199 0.000 2.301 1264 E HA 0.423 4.772 4.350 -0.001 0.000 0.275 1264 E C -0.638 176.033 176.600 0.118 0.000 1.030 1264 E CA -0.360 56.127 56.400 0.145 0.000 0.852 1264 E CB 1.521 31.305 29.700 0.140 0.000 1.060 1264 E HN 0.036 nan 8.360 nan 0.000 0.401 1265 A N 4.984 127.887 122.820 0.137 0.000 2.276 1265 A HA 0.539 4.858 4.320 -0.001 0.000 0.300 1265 A C 0.099 177.763 177.584 0.134 0.000 1.235 1265 A CA -0.281 51.866 52.037 0.182 0.000 0.867 1265 A CB 0.388 19.594 19.000 0.343 0.000 1.137 1265 A HN 0.588 nan 8.150 nan 0.000 0.527 1266 R N 2.006 122.573 120.500 0.112 0.000 2.690 1266 R HA 0.282 4.621 4.340 -0.001 0.000 0.269 1266 R C -0.650 175.689 176.300 0.066 0.000 1.037 1266 R CA -0.858 55.274 56.100 0.054 0.000 0.877 1266 R CB 0.987 31.313 30.300 0.043 0.000 1.255 1266 R HN 0.953 nan 8.270 nan 0.000 0.467 1267 R N 4.336 124.858 120.500 0.036 0.000 2.473 1267 R HA 0.111 4.451 4.340 -0.001 0.000 0.315 1267 R C -2.007 174.322 176.300 0.048 0.000 0.972 1267 R CA -0.670 55.456 56.100 0.043 0.000 1.047 1267 R CB 0.267 30.578 30.300 0.020 0.000 0.932 1267 R HN 0.337 nan 8.270 nan 0.000 0.411 1268 P HA -0.070 nan 4.420 nan 0.000 0.270 1268 P C -0.133 177.193 177.300 0.043 0.000 1.221 1268 P CA -0.057 63.079 63.100 0.061 0.000 0.788 1268 P CB 0.733 32.479 31.700 0.077 0.000 0.904 1269 K N 1.111 121.535 120.400 0.040 0.000 1.990 1269 K HA -0.133 4.186 4.320 -0.001 0.000 0.225 1269 K C 1.115 177.730 176.600 0.025 0.000 1.053 1269 K CA 1.986 58.291 56.287 0.029 0.000 0.982 1269 K CB -0.912 31.605 32.500 0.028 0.000 0.734 1269 K HN 0.593 nan 8.250 nan 0.000 0.448 1270 A N 2.360 125.196 122.820 0.027 0.000 2.316 1270 A HA 0.176 4.496 4.320 -0.001 0.000 0.311 1270 A C -0.060 177.538 177.584 0.024 0.000 1.339 1270 A CA -0.484 51.566 52.037 0.022 0.000 0.960 1270 A CB 0.356 19.369 19.000 0.021 0.000 1.152 1270 A HN 0.055 nan 8.150 nan 0.000 0.547 1330 I N 1.082 121.664 120.570 0.020 0.000 2.656 1330 I HA 0.355 4.524 4.170 -0.001 0.000 0.292 1330 I C -1.025 175.116 176.117 0.039 0.000 1.144 1330 I CA -0.057 61.221 61.300 -0.037 0.000 1.038 1330 I CB 2.169 40.055 38.000 -0.190 0.000 1.244 1330 I HN 0.695 nan 8.210 nan 0.000 0.420 1331 D N 7.964 128.391 120.400 0.045 0.000 2.339 1331 D HA 0.220 4.859 4.640 -0.001 0.000 0.241 1331 D C -2.011 174.371 176.300 0.137 0.000 1.183 1331 D CA -1.548 52.519 54.000 0.111 0.000 0.859 1331 D CB 2.034 42.885 40.800 0.085 0.000 1.067 1331 D HN 0.169 nan 8.370 nan 0.000 0.484 1332 P HA -0.204 nan 4.420 nan 0.000 0.215 1332 P C 1.308 178.692 177.300 0.139 0.000 1.163 1332 P CA 1.313 64.559 63.100 0.243 0.000 0.894 1332 P CB 0.040 31.876 31.700 0.227 0.000 0.791 1333 H N -0.596 118.520 119.070 0.077 0.000 2.289 1333 H HA -0.174 4.381 4.556 -0.001 0.000 0.296 1333 H C 2.131 177.483 175.328 0.040 0.000 1.091 1333 H CA 1.775 57.856 56.048 0.055 0.000 1.274 1333 H CB -0.447 29.341 29.762 0.044 0.000 1.364 1333 H HN 0.305 nan 8.280 nan 0.000 0.490 1334 Q N 0.332 120.232 119.800 0.167 0.000 2.050 1334 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 1334 Q C 2.641 178.667 176.000 0.044 0.000 0.980 1334 Q CA 1.140 56.992 55.803 0.082 0.000 0.840 1334 Q CB -0.160 28.610 28.738 0.053 0.000 0.898 1334 Q HN 0.355 nan 8.270 nan 0.000 0.424 1335 L N 0.664 121.907 121.223 0.033 0.000 2.079 1335 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 1335 L C 2.215 179.092 176.870 0.012 0.000 1.081 1335 L CA 0.897 55.735 54.840 -0.005 0.000 0.752 1335 L CB -0.226 41.806 42.059 -0.045 0.000 0.896 1335 L HN 0.263 nan 8.230 nan 0.000 0.433 1336 L N -0.094 121.148 121.223 0.032 0.000 2.017 1336 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 1336 L C 2.305 179.184 176.870 0.016 0.000 1.073 1336 L CA 1.895 56.749 54.840 0.023 0.000 0.745 1336 L CB -0.706 41.357 42.059 0.007 0.000 0.894 1336 L HN 0.251 nan 8.230 nan 0.000 0.432 1337 E N -0.229 119.985 120.200 0.024 0.000 2.051 1337 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 1337 E C 2.122 178.723 176.600 0.001 0.000 0.991 1337 E CA 1.645 58.055 56.400 0.016 0.000 0.799 1337 E CB -0.438 29.279 29.700 0.028 0.000 0.748 1337 E HN 0.629 nan 8.360 nan 0.000 0.449 1338 A N 0.262 123.082 122.820 0.000 0.000 1.843 1338 A HA -0.087 4.232 4.320 -0.001 0.000 0.213 1338 A C 2.074 179.649 177.584 -0.015 0.000 1.202 1338 A CA 1.613 53.644 52.037 -0.010 0.000 0.607 1338 A CB -0.294 18.699 19.000 -0.013 0.000 0.847 1338 A HN 0.120 nan 8.150 nan 0.000 0.445 1339 K N -1.451 118.939 120.400 -0.016 0.000 2.361 1339 K HA 0.334 4.654 4.320 -0.001 0.000 0.194 1339 K C 0.537 177.129 176.600 -0.012 0.000 1.032 1339 K CA 0.735 57.011 56.287 -0.018 0.000 1.048 1339 K CB 0.118 32.604 32.500 -0.025 0.000 0.842 1339 K HN 0.794 nan 8.250 nan 0.000 0.526 1340 G N 0.290 109.087 108.800 -0.005 0.000 2.541 1340 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.686 1340 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.686 1340 G C -2.629 172.280 174.900 0.014 0.000 1.286 1340 G CA -0.634 44.466 45.100 -0.001 0.000 0.894 1340 G HN -0.085 nan 8.290 nan 0.000 0.575 1341 P HA 0.062 nan 4.420 nan 0.000 0.208 1341 P C 1.599 178.917 177.300 0.031 0.000 1.200 1341 P CA 1.792 64.913 63.100 0.036 0.000 0.924 1341 P CB -0.079 31.653 31.700 0.052 0.000 0.774 1342 E N -0.653 119.557 120.200 0.018 0.000 2.324 1342 E HA -0.252 4.097 4.350 -0.001 0.000 0.205 1342 E C 1.797 178.406 176.600 0.016 0.000 1.031 1342 E CA 1.484 57.886 56.400 0.004 0.000 0.836 1342 E CB -0.519 29.169 29.700 -0.019 0.000 0.742 1342 E HN 0.214 nan 8.360 nan 0.000 0.491 1343 A N 0.024 122.861 122.820 0.028 0.000 1.956 1343 A HA -0.016 4.303 4.320 -0.001 0.000 0.212 1343 A C 2.385 180.031 177.584 0.104 0.000 1.188 1343 A CA 0.538 52.603 52.037 0.047 0.000 0.675 1343 A CB -0.135 18.880 19.000 0.025 0.000 0.845 1343 A HN 0.121 nan 8.150 nan 0.000 0.455 1344 V N 0.377 120.356 119.914 0.109 0.000 2.261 1344 V HA -0.310 3.809 4.120 -0.001 0.000 0.246 1344 V C 2.422 178.583 176.094 0.113 0.000 1.047 1344 V CA 2.394 64.807 62.300 0.188 0.000 1.015 1344 V CB -1.144 30.750 31.823 0.119 0.000 0.642 1344 V HN 0.741 nan 8.190 nan 0.000 0.446 1345 E N 0.555 120.782 120.200 0.046 0.000 2.048 1345 E HA -0.340 4.010 4.350 -0.001 0.000 0.202 1345 E C 2.370 178.969 176.600 -0.002 0.000 1.021 1345 E CA 2.044 58.446 56.400 0.003 0.000 0.825 1345 E CB -0.181 29.525 29.700 0.010 0.000 0.756 1345 E HN 0.333 nan 8.360 nan 0.000 0.454 1346 R N -0.514 120.005 120.500 0.032 0.000 2.189 1346 R HA -0.143 4.197 4.340 -0.001 0.000 0.223 1346 R C 2.077 178.421 176.300 0.074 0.000 1.092 1346 R CA 1.450 57.573 56.100 0.037 0.000 0.989 1346 R CB -0.759 29.566 30.300 0.042 0.000 0.876 1346 R HN 0.457 nan 8.270 nan 0.000 0.457 1347 Y N -0.164 120.123 120.300 -0.022 0.000 2.130 1347 Y HA -0.068 4.482 4.550 -0.001 0.000 0.287 1347 Y C 1.488 177.367 175.900 -0.035 0.000 1.124 1347 Y CA 1.290 59.377 58.100 -0.022 0.000 1.118 1347 Y CB -0.822 37.627 38.460 -0.018 0.000 0.994 1347 Y HN -0.028 nan 8.280 nan 0.000 0.497 1348 L N 0.091 120.966 121.223 -0.581 0.000 1.990 1348 L HA -0.251 4.088 4.340 -0.001 0.000 0.213 1348 L C 2.608 179.252 176.870 -0.376 0.000 1.072 1348 L CA 1.959 56.383 54.840 -0.694 0.000 0.755 1348 L CB -1.330 40.439 42.059 -0.483 0.000 0.889 1348 L HN 0.203 nan 8.230 nan 0.000 0.432 1349 V N -0.558 119.227 119.914 -0.215 0.000 2.220 1349 V HA -0.358 3.761 4.120 -0.001 0.000 0.250 1349 V C 2.588 178.618 176.094 -0.106 0.000 1.056 1349 V CA 2.185 64.404 62.300 -0.136 0.000 1.016 1349 V CB -0.648 31.137 31.823 -0.063 0.000 0.639 1349 V HN 0.484 nan 8.190 nan 0.000 0.446 1350 E N 0.346 120.513 120.200 -0.056 0.000 2.077 1350 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 1350 E C 2.064 178.661 176.600 -0.005 0.000 0.989 1350 E CA 1.681 58.075 56.400 -0.011 0.000 0.800 1350 E CB -0.373 29.347 29.700 0.034 0.000 0.746 1350 E HN 0.614 nan 8.360 nan 0.000 0.452 1351 E N 0.057 120.242 120.200 -0.025 0.000 2.153 1351 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 1351 E C 1.884 178.467 176.600 -0.028 0.000 0.988 1351 E CA 1.296 57.697 56.400 0.001 0.000 0.811 1351 E CB -0.305 29.373 29.700 -0.037 0.000 0.746 1351 E HN 0.476 nan 8.360 nan 0.000 0.466 1352 I N 0.123 120.630 120.570 -0.105 0.000 2.286 1352 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 1352 I C 2.359 178.468 176.117 -0.013 0.000 1.104 1352 I CA 0.773 62.025 61.300 -0.080 0.000 1.397 1352 I CB -0.273 37.595 38.000 -0.219 0.000 1.072 1352 I HN 0.138 nan 8.210 nan 0.000 0.417 1353 Q N 0.862 120.637 119.800 -0.041 0.000 2.226 1353 Q HA -0.185 4.154 4.340 -0.001 0.000 0.204 1353 Q C 2.115 178.174 176.000 0.098 0.000 0.975 1353 Q CA 1.021 56.826 55.803 0.002 0.000 0.866 1353 Q CB -0.141 28.588 28.738 -0.013 0.000 0.915 1353 Q HN 0.386 nan 8.270 nan 0.000 0.440 1354 K N 0.109 120.562 120.400 0.088 0.000 2.044 1354 K HA -0.114 4.205 4.320 -0.001 0.000 0.210 1354 K C 2.110 178.789 176.600 0.132 0.000 1.049 1354 K CA 0.975 57.320 56.287 0.096 0.000 0.927 1354 K CB -0.381 32.168 32.500 0.082 0.000 0.713 1354 K HN 0.097 nan 8.250 nan 0.000 0.443 1355 V N 0.277 120.309 119.914 0.196 0.000 2.379 1355 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 1355 V C 2.108 178.304 176.094 0.170 0.000 1.044 1355 V CA 1.471 63.876 62.300 0.175 0.000 1.036 1355 V CB -0.604 31.331 31.823 0.186 0.000 0.664 1355 V HN 0.148 nan 8.190 nan 0.000 0.453 1356 Y N 0.704 121.027 120.300 0.038 0.000 2.242 1356 Y HA -0.093 4.456 4.550 -0.001 0.000 0.291 1356 Y C 2.650 178.562 175.900 0.020 0.000 1.137 1356 Y CA 1.013 59.133 58.100 0.033 0.000 1.181 1356 Y CB -0.601 37.885 38.460 0.043 0.000 0.989 1356 Y HN 0.125 nan 8.280 nan 0.000 0.527 1357 R N -0.157 120.452 120.500 0.181 0.000 2.081 1357 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 1357 R C 2.346 178.684 176.300 0.062 0.000 1.131 1357 R CA 1.231 57.387 56.100 0.093 0.000 0.960 1357 R CB -0.634 29.706 30.300 0.066 0.000 0.856 1357 R HN 0.273 nan 8.270 nan 0.000 0.436 1358 A N 0.380 123.238 122.820 0.062 0.000 2.216 1358 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 1358 A C 1.465 179.059 177.584 0.017 0.000 1.160 1358 A CA 0.982 53.041 52.037 0.037 0.000 0.725 1358 A CB 0.123 19.147 19.000 0.039 0.000 0.784 1358 A HN 0.196 nan 8.150 nan 0.000 0.472 1359 Q N -1.986 117.819 119.800 0.009 0.000 2.139 1359 Q HA 0.241 4.580 4.340 -0.001 0.000 0.219 1359 Q C 1.094 177.088 176.000 -0.009 0.000 0.805 1359 Q CA 0.595 56.385 55.803 -0.021 0.000 1.024 1359 Q CB 0.794 29.483 28.738 -0.082 0.000 1.163 1359 Q HN 0.848 nan 8.270 nan 0.000 0.485 1360 G N 0.425 109.232 108.800 0.012 0.000 2.253 1360 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.251 1360 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.251 1360 G C 0.444 175.357 174.900 0.022 0.000 0.998 1360 G CA 0.349 45.456 45.100 0.012 0.000 0.621 1360 G HN 0.237 nan 8.290 nan 0.000 0.524 1361 V N 1.297 121.237 119.914 0.044 0.000 2.740 1361 V HA 0.364 4.483 4.120 -0.001 0.000 0.303 1361 V C 0.710 176.856 176.094 0.087 0.000 1.054 1361 V CA 0.568 62.914 62.300 0.076 0.000 1.106 1361 V CB 1.391 33.304 31.823 0.150 0.000 0.957 1361 V HN 0.325 nan 8.190 nan 0.000 0.486 1362 K N 5.755 126.188 120.400 0.056 0.000 2.606 1362 K HA 0.434 4.754 4.320 -0.001 0.000 0.196 1362 K C -0.787 175.842 176.600 0.049 0.000 1.048 1362 K CA -0.298 56.006 56.287 0.028 0.000 1.017 1362 K CB 0.754 33.240 32.500 -0.024 0.000 1.413 1362 K HN 0.661 nan 8.250 nan 0.000 0.568 1363 L N -1.156 120.115 121.223 0.080 0.000 2.307 1363 L HA 0.513 4.852 4.340 -0.001 0.000 0.284 1363 L C 0.195 177.136 176.870 0.119 0.000 1.023 1363 L CA -0.919 53.997 54.840 0.126 0.000 0.810 1363 L CB 0.993 43.135 42.059 0.138 0.000 1.231 1363 L HN 0.366 nan 8.230 nan 0.000 0.423 1364 H N 2.762 121.872 119.070 0.066 0.000 3.001 1364 H HA -0.021 4.534 4.556 -0.001 0.000 0.334 1364 H C 0.078 175.382 175.328 -0.039 0.000 1.034 1364 H CA 0.636 56.682 56.048 -0.003 0.000 1.420 1364 H CB 1.226 30.958 29.762 -0.050 0.000 1.405 1364 H HN 0.832 nan 8.280 nan 0.000 0.593 1365 D N 4.479 124.984 120.400 0.175 0.000 2.190 1365 D HA -0.178 4.461 4.640 -0.001 0.000 0.200 1365 D C 1.839 178.236 176.300 0.162 0.000 0.992 1365 D CA 1.368 55.449 54.000 0.136 0.000 0.854 1365 D CB 0.168 41.001 40.800 0.055 0.000 0.936 1365 D HN 0.573 nan 8.370 nan 0.000 0.462 1366 K N -0.104 120.406 120.400 0.184 0.000 2.066 1366 K HA -0.280 4.040 4.320 -0.001 0.000 0.221 1366 K C 2.023 178.672 176.600 0.081 0.000 1.056 1366 K CA 1.738 57.969 56.287 -0.093 0.000 0.950 1366 K CB -0.498 31.652 32.500 -0.584 0.000 0.726 1366 K HN 0.370 nan 8.250 nan 0.000 0.456 1367 H N 0.414 119.593 119.070 0.181 0.000 2.267 1367 H HA -0.098 4.457 4.556 -0.001 0.000 0.297 1367 H C 2.341 177.739 175.328 0.117 0.000 1.080 1367 H CA 1.630 57.770 56.048 0.153 0.000 1.278 1367 H CB -0.630 29.205 29.762 0.123 0.000 1.365 1367 H HN 0.201 nan 8.280 nan 0.000 0.489 1368 I N 0.981 121.675 120.570 0.206 0.000 2.335 1368 I HA -0.265 3.904 4.170 -0.001 0.000 0.251 1368 I C 2.254 178.423 176.117 0.087 0.000 1.129 1368 I CA 1.234 62.608 61.300 0.122 0.000 1.402 1368 I CB -0.222 37.784 38.000 0.010 0.000 1.069 1368 I HN 0.315 nan 8.210 nan 0.000 0.424 1369 E N 0.930 121.184 120.200 0.091 0.000 2.007 1369 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 1369 E C 2.295 178.952 176.600 0.095 0.000 0.999 1369 E CA 1.328 57.772 56.400 0.074 0.000 0.811 1369 E CB -0.149 29.599 29.700 0.081 0.000 0.762 1369 E HN 0.294 nan 8.360 nan 0.000 0.450 1370 I N 1.301 121.954 120.570 0.137 0.000 2.181 1370 I HA -0.296 3.873 4.170 -0.001 0.000 0.247 1370 I C 2.381 178.560 176.117 0.103 0.000 1.081 1370 I CA 1.344 62.715 61.300 0.118 0.000 1.340 1370 I CB -1.160 36.920 38.000 0.133 0.000 1.036 1370 I HN 0.044 nan 8.210 nan 0.000 0.417 1371 V N 0.186 120.180 119.914 0.132 0.000 2.229 1371 V HA -0.206 3.913 4.120 -0.001 0.000 0.243 1371 V C 2.514 178.673 176.094 0.108 0.000 1.042 1371 V CA 1.590 63.982 62.300 0.153 0.000 1.000 1371 V CB -0.929 31.065 31.823 0.286 0.000 0.637 1371 V HN 0.280 nan 8.190 nan 0.000 0.446 1372 V N 0.830 120.776 119.914 0.052 0.000 2.546 1372 V HA -0.308 3.811 4.120 -0.001 0.000 0.254 1372 V C 2.728 178.837 176.094 0.026 0.000 1.076 1372 V CA 2.648 64.942 62.300 -0.011 0.000 1.087 1372 V CB -0.668 31.107 31.823 -0.080 0.000 0.674 1372 V HN 0.594 nan 8.190 nan 0.000 0.470 1373 R N -0.804 119.724 120.500 0.047 0.000 2.081 1373 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 1373 R C 2.193 178.538 176.300 0.076 0.000 1.131 1373 R CA 1.768 57.900 56.100 0.053 0.000 0.960 1373 R CB -0.274 30.058 30.300 0.053 0.000 0.856 1373 R HN 0.472 nan 8.270 nan 0.000 0.436 1374 Q N 0.146 120.002 119.800 0.095 0.000 2.364 1374 Q HA -0.087 4.253 4.340 -0.001 0.000 0.207 1374 Q C 1.716 177.834 176.000 0.197 0.000 0.970 1374 Q CA 1.165 57.053 55.803 0.141 0.000 0.888 1374 Q CB -0.060 28.757 28.738 0.131 0.000 0.951 1374 Q HN 0.459 nan 8.270 nan 0.000 0.469 1375 M N -1.445 118.235 119.600 0.133 0.000 2.618 1375 M HA 0.063 4.543 4.480 -0.001 0.000 0.240 1375 M C 0.902 177.279 176.300 0.129 0.000 1.123 1375 M CA 0.661 56.030 55.300 0.114 0.000 1.060 1375 M CB 0.307 32.932 32.600 0.042 0.000 1.535 1375 M HN 0.020 nan 8.290 nan 0.000 0.507 1376 M N -1.465 118.225 119.600 0.149 0.000 2.687 1376 M HA 0.115 4.595 4.480 -0.001 0.000 0.413 1376 M C 1.025 177.403 176.300 0.130 0.000 1.216 1376 M CA 0.039 55.422 55.300 0.139 0.000 0.871 1376 M CB 0.621 33.269 32.600 0.079 0.000 1.481 1376 M HN -0.091 nan 8.290 nan 0.000 0.521 1377 K N 0.099 120.592 120.400 0.155 0.000 2.525 1377 K HA 0.044 4.363 4.320 -0.001 0.000 0.192 1377 K C -0.955 175.492 176.600 -0.256 0.000 1.029 1377 K CA 0.687 56.938 56.287 -0.060 0.000 1.029 1377 K CB 0.404 32.832 32.500 -0.120 0.000 0.814 1377 K HN 0.209 nan 8.250 nan 0.000 0.503 1378 Y N -0.537 119.800 120.300 0.062 0.000 2.524 1378 Y HA 0.397 4.946 4.550 -0.001 0.000 0.344 1378 Y C -0.206 175.736 175.900 0.070 0.000 1.012 1378 Y CA -1.243 56.910 58.100 0.089 0.000 1.068 1378 Y CB 2.027 40.548 38.460 0.102 0.000 1.249 1378 Y HN -0.183 nan 8.280 nan 0.000 0.468 1379 V N -1.871 118.188 119.914 0.241 0.000 3.087 1379 V HA 0.601 4.721 4.120 -0.001 0.000 0.306 1379 V C -0.920 175.240 176.094 0.110 0.000 1.187 1379 V CA -1.295 61.088 62.300 0.139 0.000 0.999 1379 V CB 1.921 33.706 31.823 -0.064 0.000 1.049 1379 V HN 0.794 nan 8.190 nan 0.000 0.431 1380 E N 1.177 121.436 120.200 0.098 0.000 2.318 1380 E HA 0.672 5.022 4.350 -0.001 0.000 0.265 1380 E C -1.074 175.487 176.600 -0.065 0.000 1.069 1380 E CA -0.723 55.702 56.400 0.043 0.000 0.893 1380 E CB 2.184 31.921 29.700 0.061 0.000 1.076 1380 E HN 0.622 nan 8.360 nan 0.000 0.414 1381 V N 1.164 121.009 119.914 -0.116 0.000 2.581 1381 V HA 0.189 4.308 4.120 -0.001 0.000 0.303 1381 V C 0.857 176.896 176.094 -0.092 0.000 1.041 1381 V CA -0.214 61.965 62.300 -0.202 0.000 0.907 1381 V CB 1.637 33.272 31.823 -0.314 0.000 0.994 1381 V HN 1.009 nan 8.190 nan 0.000 0.442 1382 T N -2.122 112.379 114.554 -0.088 0.000 2.954 1382 T HA 0.238 4.587 4.350 -0.001 0.000 0.252 1382 T C 0.145 174.817 174.700 -0.047 0.000 0.983 1382 T CA 0.045 62.111 62.100 -0.057 0.000 0.941 1382 T CB 0.459 69.288 68.868 -0.064 0.000 1.141 1382 T HN 0.472 nan 8.240 nan 0.000 0.500 1383 D N 3.059 123.428 120.400 -0.053 0.000 2.375 1383 D HA 0.424 5.063 4.640 -0.001 0.000 0.259 1383 D C -2.867 173.430 176.300 -0.005 0.000 1.235 1383 D CA -1.598 52.387 54.000 -0.025 0.000 0.924 1383 D CB 2.423 43.207 40.800 -0.027 0.000 1.143 1383 D HN 0.153 nan 8.370 nan 0.000 0.529 1384 P HA 0.280 nan 4.420 nan 0.000 0.271 1384 P C 0.464 177.808 177.300 0.073 0.000 1.244 1384 P CA -0.009 63.124 63.100 0.055 0.000 0.793 1384 P CB 1.351 33.088 31.700 0.062 0.000 0.984 1385 G N -0.679 108.185 108.800 0.106 0.000 3.128 1385 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.158 1385 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.158 1385 G C 0.777 175.740 174.900 0.104 0.000 1.289 1385 G CA 0.433 45.594 45.100 0.101 0.000 0.829 1385 G HN 0.492 nan 8.290 nan 0.000 0.618 1386 D N 0.126 120.606 120.400 0.134 0.000 2.149 1386 D HA 0.275 4.914 4.640 -0.001 0.000 0.206 1386 D C 0.861 177.230 176.300 0.116 0.000 0.967 1386 D CA 0.992 55.059 54.000 0.112 0.000 0.848 1386 D CB 0.511 41.375 40.800 0.107 0.000 0.998 1386 D HN 0.207 nan 8.370 nan 0.000 0.474 1387 S N -0.415 115.381 115.700 0.159 0.000 2.599 1387 S HA 0.441 4.910 4.470 -0.001 0.000 0.287 1387 S C -0.968 173.717 174.600 0.141 0.000 1.105 1387 S CA -0.913 57.374 58.200 0.145 0.000 0.899 1387 S CB 1.904 65.199 63.200 0.160 0.000 1.100 1387 S HN 0.060 nan 8.310 nan 0.000 0.482 1388 R N 1.612 122.178 120.500 0.110 0.000 2.705 1388 R HA -0.043 4.297 4.340 -0.001 0.000 0.264 1388 R C 1.536 177.889 176.300 0.087 0.000 0.988 1388 R CA 0.074 56.228 56.100 0.090 0.000 1.103 1388 R CB -0.490 29.857 30.300 0.080 0.000 0.950 1388 R HN 0.727 nan 8.270 nan 0.000 0.427 1389 L N 1.377 122.636 121.223 0.059 0.000 1.908 1389 L HA -0.128 4.212 4.340 -0.001 0.000 0.227 1389 L C 0.843 177.733 176.870 0.032 0.000 1.087 1389 L CA 1.265 56.123 54.840 0.030 0.000 0.797 1389 L CB -0.859 41.213 42.059 0.022 0.000 0.893 1389 L HN 0.423 nan 8.230 nan 0.000 0.432 1390 L N 1.755 123.002 121.223 0.039 0.000 2.825 1390 L HA 0.062 4.401 4.340 -0.001 0.000 0.278 1390 L C 0.094 177.007 176.870 0.071 0.000 1.125 1390 L CA 0.752 55.620 54.840 0.046 0.000 1.023 1390 L CB -1.048 41.037 42.059 0.045 0.000 1.377 1390 L HN 0.510 nan 8.230 nan 0.000 0.471 1391 E N 1.754 122.003 120.200 0.082 0.000 2.380 1391 E HA 0.501 4.850 4.350 -0.001 0.000 0.281 1391 E C -0.941 175.756 176.600 0.163 0.000 0.999 1391 E CA -0.669 55.813 56.400 0.138 0.000 0.800 1391 E CB 2.202 32.024 29.700 0.203 0.000 1.228 1391 E HN 0.496 nan 8.360 nan 0.000 0.436 1392 G N 2.449 111.370 108.800 0.202 0.000 2.437 1392 G HA2 0.468 4.428 3.960 -0.001 0.000 0.315 1392 G HA3 0.468 4.428 3.960 -0.001 0.000 0.315 1392 G C -0.838 174.287 174.900 0.375 0.000 1.210 1392 G CA -0.115 45.133 45.100 0.247 0.000 0.943 1392 G HN 0.150 nan 8.290 nan 0.000 0.471 1393 Q N 0.990 121.108 119.800 0.529 0.000 2.687 1393 Q HA 0.373 4.712 4.340 -0.001 0.000 0.305 1393 Q C -0.375 175.908 176.000 0.470 0.000 1.006 1393 Q CA -0.787 55.343 55.803 0.544 0.000 0.763 1393 Q CB 2.196 31.270 28.738 0.560 0.000 1.506 1393 Q HN 0.320 nan 8.270 nan 0.000 0.459 1394 V N 3.691 123.642 119.914 0.061 0.000 2.452 1394 V HA -0.104 4.015 4.120 -0.001 0.000 0.286 1394 V C 2.088 178.079 176.094 -0.173 0.000 0.995 1394 V CA 0.769 62.928 62.300 -0.237 0.000 1.116 1394 V CB -0.696 30.978 31.823 -0.248 0.000 0.954 1394 V HN 0.794 nan 8.190 nan 0.000 0.473 1395 L N 3.851 125.014 121.223 -0.101 0.000 1.976 1395 L HA -0.183 4.156 4.340 -0.001 0.000 0.223 1395 L C 2.365 179.123 176.870 -0.187 0.000 1.081 1395 L CA 2.123 56.909 54.840 -0.090 0.000 0.784 1395 L CB -0.243 41.690 42.059 -0.209 0.000 0.896 1395 L HN 0.679 nan 8.230 nan 0.000 0.438 1396 E N 0.295 120.337 120.200 -0.264 0.000 2.204 1396 E HA -0.285 4.064 4.350 -0.001 0.000 0.195 1396 E C 2.126 178.528 176.600 -0.330 0.000 0.990 1396 E CA 1.331 57.557 56.400 -0.291 0.000 0.821 1396 E CB 0.001 29.493 29.700 -0.347 0.000 0.750 1396 E HN 0.490 nan 8.360 nan 0.000 0.477 1397 K N -0.923 119.219 120.400 -0.430 0.000 2.283 1397 K HA -0.130 4.190 4.320 -0.001 0.000 0.202 1397 K C 1.659 177.893 176.600 -0.610 0.000 1.048 1397 K CA 1.010 56.978 56.287 -0.532 0.000 0.948 1397 K CB -0.194 31.933 32.500 -0.622 0.000 0.742 1397 K HN 0.124 nan 8.250 nan 0.000 0.458 1398 W N 0.656 121.828 121.300 -0.213 0.000 2.523 1398 W HA -0.008 4.652 4.660 -0.001 0.000 0.278 1398 W C 1.451 177.870 176.519 -0.167 0.000 1.236 1398 W CA 0.077 57.310 57.345 -0.185 0.000 1.306 1398 W CB 0.166 29.454 29.460 -0.286 0.000 1.101 1398 W HN 0.036 nan 8.180 nan 0.000 0.577 1399 D N 0.294 120.670 120.400 -0.040 0.000 2.218 1399 D HA -0.138 4.502 4.640 -0.001 0.000 0.204 1399 D C 2.190 178.467 176.300 -0.039 0.000 0.976 1399 D CA 1.204 55.176 54.000 -0.048 0.000 0.853 1399 D CB -0.453 40.282 40.800 -0.107 0.000 0.939 1399 D HN 0.074 nan 8.370 nan 0.000 0.481 1400 V N 1.220 121.078 119.914 -0.094 0.000 2.283 1400 V HA -0.158 3.961 4.120 -0.001 0.000 0.243 1400 V C 2.514 178.582 176.094 -0.043 0.000 1.039 1400 V CA 1.334 63.578 62.300 -0.093 0.000 1.016 1400 V CB -0.282 31.448 31.823 -0.155 0.000 0.650 1400 V HN 0.119 nan 8.190 nan 0.000 0.449 1401 E N 0.795 120.976 120.200 -0.032 0.000 2.012 1401 E HA -0.255 4.095 4.350 -0.001 0.000 0.197 1401 E C 2.309 178.958 176.600 0.082 0.000 1.007 1401 E CA 1.881 58.301 56.400 0.033 0.000 0.816 1401 E CB -0.364 29.394 29.700 0.097 0.000 0.762 1401 E HN 0.452 nan 8.360 nan 0.000 0.451 1402 A N 1.706 124.608 122.820 0.136 0.000 1.948 1402 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 1402 A C 2.501 180.136 177.584 0.084 0.000 1.177 1402 A CA 1.516 53.635 52.037 0.135 0.000 0.636 1402 A CB -0.862 18.254 19.000 0.193 0.000 0.815 1402 A HN 0.385 nan 8.150 nan 0.000 0.449 1403 L N -0.839 120.418 121.223 0.057 0.000 1.970 1403 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 1403 L C 2.360 179.244 176.870 0.024 0.000 1.071 1403 L CA 2.224 57.083 54.840 0.032 0.000 0.751 1403 L CB -0.352 41.711 42.059 0.007 0.000 0.889 1403 L HN 0.472 nan 8.230 nan 0.000 0.432 1404 N N -0.852 117.858 118.700 0.016 0.000 2.457 1404 N HA -0.194 4.545 4.740 -0.001 0.000 0.180 1404 N C 1.568 177.091 175.510 0.022 0.000 1.050 1404 N CA 0.516 53.573 53.050 0.012 0.000 0.906 1404 N CB 0.172 38.660 38.487 0.001 0.000 0.968 1404 N HN 0.236 nan 8.380 nan 0.000 0.445 1405 E N 0.588 120.809 120.200 0.036 0.000 2.208 1405 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 1405 E C 1.763 178.386 176.600 0.039 0.000 0.988 1405 E CA 0.999 57.426 56.400 0.044 0.000 0.828 1405 E CB 0.092 29.831 29.700 0.066 0.000 0.763 1405 E HN 0.514 nan 8.360 nan 0.000 0.478 1406 R N -1.421 119.102 120.500 0.038 0.000 2.221 1406 R HA 0.184 4.523 4.340 -0.001 0.000 0.195 1406 R C 1.558 177.873 176.300 0.024 0.000 0.956 1406 R CA 0.191 56.310 56.100 0.033 0.000 1.064 1406 R CB -0.259 30.064 30.300 0.038 0.000 1.049 1406 R HN 0.085 nan 8.270 nan 0.000 0.534 1407 L N 0.675 121.911 121.223 0.022 0.000 2.117 1407 L HA 0.144 4.483 4.340 -0.001 0.000 0.200 1407 L C 2.033 178.910 176.870 0.011 0.000 1.110 1407 L CA 1.049 55.898 54.840 0.015 0.000 0.774 1407 L CB -0.342 41.724 42.059 0.012 0.000 0.934 1407 L HN 0.046 nan 8.230 nan 0.000 0.456 1408 I N -0.365 120.211 120.570 0.010 0.000 2.141 1408 I HA -0.062 4.108 4.170 -0.001 0.000 0.236 1408 I C 1.176 177.299 176.117 0.009 0.000 1.071 1408 I CA 0.728 62.032 61.300 0.007 0.000 1.345 1408 I CB -0.606 37.396 38.000 0.003 0.000 1.066 1408 I HN 0.113 nan 8.210 nan 0.000 0.406 1409 A N 0.415 123.242 122.820 0.012 0.000 2.301 1409 A HA 0.489 4.808 4.320 -0.001 0.000 0.298 1409 A C 0.091 177.685 177.584 0.018 0.000 1.185 1409 A CA -0.564 51.481 52.037 0.014 0.000 0.830 1409 A CB 0.049 19.058 19.000 0.016 0.000 1.112 1409 A HN 0.284 nan 8.150 nan 0.000 0.508 1410 E N 1.125 121.334 120.200 0.016 0.000 2.816 1410 E HA 0.499 4.849 4.350 -0.001 0.000 0.260 1410 E C 0.674 177.286 176.600 0.020 0.000 1.414 1410 E CA 0.395 56.805 56.400 0.017 0.000 1.074 1410 E CB 0.146 29.855 29.700 0.014 0.000 1.123 1410 E HN 1.654 nan 8.360 nan 0.000 0.664 1411 G N 0.594 109.405 108.800 0.019 0.000 2.788 1411 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.249 1411 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.249 1411 G C -0.709 174.207 174.900 0.025 0.000 1.008 1411 G CA -0.362 44.750 45.100 0.021 0.000 1.220 1411 G HN 0.231 nan 8.290 nan 0.000 0.506 1412 K N 1.583 121.997 120.400 0.023 0.000 2.237 1412 K HA 0.224 4.544 4.320 -0.001 0.000 0.283 1412 K C 0.464 177.082 176.600 0.030 0.000 1.080 1412 K CA 0.207 56.510 56.287 0.028 0.000 0.965 1412 K CB 0.183 32.697 32.500 0.022 0.000 1.098 1412 K HN 0.325 nan 8.250 nan 0.000 0.434 1413 T N 5.761 120.339 114.554 0.040 0.000 3.151 1413 T HA 0.184 4.533 4.350 -0.001 0.000 0.332 1413 T C -2.408 172.326 174.700 0.057 0.000 1.245 1413 T CA -1.613 60.514 62.100 0.045 0.000 1.019 1413 T CB 0.415 69.314 68.868 0.052 0.000 1.109 1413 T HN 0.249 nan 8.240 nan 0.000 0.621 1414 P HA 0.067 nan 4.420 nan 0.000 0.262 1414 P C -0.149 177.186 177.300 0.059 0.000 1.199 1414 P CA -0.280 62.850 63.100 0.049 0.000 0.763 1414 P CB 0.194 31.904 31.700 0.016 0.000 0.790 1415 V N 1.242 121.220 119.914 0.107 0.000 2.267 1415 V HA 0.536 4.655 4.120 -0.001 0.000 0.254 1415 V C 0.610 176.762 176.094 0.098 0.000 1.144 1415 V CA -1.248 61.116 62.300 0.106 0.000 0.992 1415 V CB -0.221 31.724 31.823 0.204 0.000 1.199 1415 V HN 0.557 nan 8.190 nan 0.000 0.493 1416 A N 6.392 129.210 122.820 -0.002 0.000 2.396 1416 A HA 0.602 4.921 4.320 -0.001 0.000 0.279 1416 A C -0.259 177.281 177.584 -0.073 0.000 1.165 1416 A CA -0.415 51.572 52.037 -0.083 0.000 0.824 1416 A CB -0.091 18.841 19.000 -0.114 0.000 1.100 1416 A HN 1.221 nan 8.150 nan 0.000 0.516 1417 W N 2.631 123.807 121.300 -0.207 0.000 2.804 1417 W HA 0.831 5.490 4.660 -0.001 0.000 0.352 1417 W C -0.693 175.736 176.519 -0.151 0.000 1.153 1417 W CA -1.384 55.803 57.345 -0.264 0.000 1.119 1417 W CB 1.056 30.291 29.460 -0.375 0.000 1.448 1417 W HN 0.463 nan 8.180 nan 0.000 0.600 1418 K N 1.866 122.367 120.400 0.168 0.000 2.426 1418 K HA 0.531 4.851 4.320 -0.001 0.000 0.254 1418 K C -2.850 173.943 176.600 0.322 0.000 0.936 1418 K CA -2.566 53.775 56.287 0.090 0.000 0.801 1418 K CB 1.720 34.236 32.500 0.026 0.000 1.139 1418 K HN 0.134 nan 8.250 nan 0.000 0.424 1419 P HA 0.021 nan 4.420 nan 0.000 0.263 1419 P C -0.970 176.426 177.300 0.159 0.000 1.195 1419 P CA 0.001 63.267 63.100 0.277 0.000 0.762 1419 P CB 0.420 32.247 31.700 0.212 0.000 0.799 1420 L N 4.854 126.171 121.223 0.156 0.000 2.307 1420 L HA 0.451 4.791 4.340 -0.001 0.000 0.284 1420 L C -0.697 176.213 176.870 0.068 0.000 1.023 1420 L CA -1.071 53.835 54.840 0.110 0.000 0.810 1420 L CB 1.093 43.241 42.059 0.149 0.000 1.231 1420 L HN 0.158 nan 8.230 nan 0.000 0.423 1421 L N 7.097 128.290 121.223 -0.050 0.000 2.321 1421 L HA 0.424 4.764 4.340 -0.001 0.000 0.272 1421 L C -0.128 176.652 176.870 -0.149 0.000 1.050 1421 L CA -0.290 54.478 54.840 -0.121 0.000 0.893 1421 L CB 0.669 42.587 42.059 -0.236 0.000 1.272 1421 L HN 0.554 nan 8.230 nan 0.000 0.435 1422 M N 1.709 121.301 119.600 -0.013 0.000 2.367 1422 M HA 0.663 5.142 4.480 -0.001 0.000 0.339 1422 M C 0.632 176.949 176.300 0.028 0.000 1.177 1422 M CA -0.540 54.766 55.300 0.010 0.000 1.068 1422 M CB 0.859 33.419 32.600 -0.066 0.000 1.602 1422 M HN 0.499 nan 8.290 nan 0.000 0.457 1423 G N 0.951 109.789 108.800 0.065 0.000 2.503 1423 G HA2 0.349 4.308 3.960 -0.001 0.000 0.257 1423 G HA3 0.349 4.308 3.960 -0.001 0.000 0.257 1423 G C 0.803 175.749 174.900 0.076 0.000 1.214 1423 G CA -0.460 44.687 45.100 0.077 0.000 0.839 1423 G HN 0.860 nan 8.290 nan 0.000 0.559 1424 V N 2.080 122.060 119.914 0.110 0.000 2.236 1424 V HA -0.297 3.823 4.120 -0.001 0.000 0.255 1424 V C 2.624 178.749 176.094 0.052 0.000 1.068 1424 V CA 3.538 65.904 62.300 0.110 0.000 1.044 1424 V CB -1.140 30.808 31.823 0.208 0.000 0.653 1424 V HN 0.851 nan 8.190 nan 0.000 0.448 1425 T N 0.269 114.847 114.554 0.039 0.000 2.570 1425 T HA -0.280 4.069 4.350 -0.001 0.000 0.266 1425 T C 1.989 176.773 174.700 0.140 0.000 1.071 1425 T CA 2.170 64.288 62.100 0.030 0.000 1.172 1425 T CB -0.504 68.408 68.868 0.073 0.000 0.864 1425 T HN 0.451 nan 8.240 nan 0.000 0.421 1426 K N 0.788 121.248 120.400 0.101 0.000 2.152 1426 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 1426 K C 2.758 179.342 176.600 -0.026 0.000 1.048 1426 K CA 1.252 57.571 56.287 0.053 0.000 0.933 1426 K CB -0.568 31.945 32.500 0.022 0.000 0.721 1426 K HN 0.369 nan 8.250 nan 0.000 0.447 1427 S N 0.260 115.932 115.700 -0.046 0.000 2.368 1427 S HA -0.103 4.367 4.470 -0.001 0.000 0.224 1427 S C 2.012 176.625 174.600 0.021 0.000 1.029 1427 S CA 1.301 59.433 58.200 -0.113 0.000 0.988 1427 S CB -0.043 63.173 63.200 0.027 0.000 0.838 1427 S HN 0.343 nan 8.310 nan 0.000 0.462 1428 A N 1.124 123.997 122.820 0.089 0.000 1.897 1428 A HA 0.136 4.455 4.320 -0.001 0.000 0.215 1428 A C 2.144 179.825 177.584 0.161 0.000 1.181 1428 A CA 1.279 53.399 52.037 0.138 0.000 0.620 1428 A CB -0.864 18.224 19.000 0.146 0.000 0.821 1428 A HN 0.517 nan 8.150 nan 0.000 0.443 1429 L N 0.592 121.931 121.223 0.194 0.000 1.971 1429 L HA -0.149 4.191 4.340 -0.001 0.000 0.215 1429 L C 1.670 178.561 176.870 0.034 0.000 1.072 1429 L CA 2.054 56.941 54.840 0.078 0.000 0.758 1429 L CB -0.333 41.765 42.059 0.064 0.000 0.889 1429 L HN 0.495 nan 8.230 nan 0.000 0.433 1430 S N -1.986 113.726 115.700 0.019 0.000 2.512 1430 S HA 0.471 4.940 4.470 -0.001 0.000 0.291 1430 S C -0.159 174.466 174.600 0.042 0.000 1.151 1430 S CA -0.596 57.613 58.200 0.015 0.000 1.120 1430 S CB 1.067 64.256 63.200 -0.018 0.000 1.029 1430 S HN 0.223 nan 8.310 nan 0.000 0.485 1431 T N 1.400 116.015 114.554 0.102 0.000 2.762 1431 T HA 0.456 4.805 4.350 -0.001 0.000 0.272 1431 T C 0.928 175.713 174.700 0.142 0.000 0.982 1431 T CA -0.668 61.535 62.100 0.172 0.000 1.013 1431 T CB 1.511 70.452 68.868 0.122 0.000 1.309 1431 T HN 0.651 nan 8.240 nan 0.000 0.572 1432 K N 0.671 121.137 120.400 0.110 0.000 1.992 1432 K HA 0.114 4.433 4.320 -0.001 0.000 0.210 1432 K C 1.214 177.863 176.600 0.082 0.000 1.036 1432 K CA 0.911 57.252 56.287 0.090 0.000 0.946 1432 K CB -0.794 31.747 32.500 0.068 0.000 0.742 1432 K HN 0.502 nan 8.250 nan 0.000 0.442 1433 S N -0.385 115.335 115.700 0.032 0.000 2.560 1433 S HA -0.095 4.375 4.470 -0.001 0.000 0.276 1433 S C 0.808 175.437 174.600 0.049 0.000 1.350 1433 S CA 0.308 58.508 58.200 0.000 0.000 1.024 1433 S CB 0.204 63.340 63.200 -0.107 0.000 0.864 1433 S HN 0.562 nan 8.310 nan 0.000 0.536 1434 W N 4.308 125.597 121.300 -0.019 0.000 2.640 1434 W HA 0.241 4.900 4.660 -0.001 0.000 0.271 1434 W C 1.261 177.723 176.519 -0.096 0.000 1.218 1434 W CA 0.010 57.325 57.345 -0.050 0.000 1.382 1434 W CB -0.846 28.598 29.460 -0.026 0.000 1.067 1434 W HN 0.560 nan 8.180 nan 0.000 0.590 1435 L N 2.327 122.954 121.223 -0.994 0.000 2.010 1435 L HA -0.358 3.981 4.340 -0.001 0.000 0.219 1435 L C 3.163 179.798 176.870 -0.391 0.000 1.077 1435 L CA 3.146 57.543 54.840 -0.738 0.000 0.773 1435 L CB -1.579 40.086 42.059 -0.658 0.000 0.892 1435 L HN 0.400 nan 8.230 nan 0.000 0.436 1436 S N -1.011 114.523 115.700 -0.277 0.000 2.359 1436 S HA -0.222 4.247 4.470 -0.001 0.000 0.224 1436 S C 2.115 176.615 174.600 -0.166 0.000 1.035 1436 S CA 1.312 59.395 58.200 -0.195 0.000 1.018 1436 S CB -0.684 62.466 63.200 -0.084 0.000 0.876 1436 S HN 0.407 nan 8.310 nan 0.000 0.448 1437 A N 1.647 124.396 122.820 -0.118 0.000 1.969 1437 A HA 0.393 4.713 4.320 -0.001 0.000 0.218 1437 A C 2.455 179.915 177.584 -0.206 0.000 1.169 1437 A CA 1.554 53.535 52.037 -0.095 0.000 0.635 1437 A CB -1.355 17.628 19.000 -0.028 0.000 0.810 1437 A HN 1.035 nan 8.150 nan 0.000 0.445 1438 A N -0.491 122.133 122.820 -0.327 0.000 2.172 1438 A HA 0.057 4.376 4.320 -0.001 0.000 0.216 1438 A C 2.231 179.277 177.584 -0.896 0.000 1.154 1438 A CA 1.640 53.245 52.037 -0.721 0.000 0.701 1438 A CB -0.483 17.796 19.000 -1.201 0.000 0.789 1438 A HN 0.448 nan 8.150 nan 0.000 0.465 1439 S N -1.363 114.046 115.700 -0.484 0.000 2.388 1439 S HA 0.097 4.566 4.470 -0.001 0.000 0.223 1439 S C 1.458 176.042 174.600 -0.026 0.000 1.034 1439 S CA 1.146 59.212 58.200 -0.224 0.000 0.963 1439 S CB -0.312 62.799 63.200 -0.148 0.000 0.827 1439 S HN 0.790 nan 8.310 nan 0.000 0.481 1440 F N 1.326 121.194 119.950 -0.137 0.000 2.468 1440 F HA 0.335 4.861 4.527 -0.001 0.000 0.250 1440 F C 2.110 177.883 175.800 -0.045 0.000 0.990 1440 F CA -0.096 57.852 58.000 -0.086 0.000 1.043 1440 F CB -0.838 38.093 39.000 -0.115 0.000 1.184 1440 F HN -0.061 nan 8.300 nan 0.000 0.690 1441 Q N 1.565 120.326 119.800 -1.732 0.000 0.857 1441 Q HA -0.241 4.099 4.340 -0.001 0.000 0.824 1441 Q C -0.485 175.209 176.000 -0.510 0.000 0.903 1441 Q CA 1.510 56.491 55.803 -1.370 0.000 0.863 1441 Q CB -0.841 27.342 28.738 -0.925 0.000 0.913 1441 Q HN 0.439 nan 8.270 nan 0.000 0.227 1442 N N -0.061 118.451 118.700 -0.313 0.000 2.479 1442 N HA 0.109 4.849 4.740 -0.001 0.000 0.261 1442 N C 0.328 175.786 175.510 -0.086 0.000 0.979 1442 N CA 0.569 53.526 53.050 -0.154 0.000 0.930 1442 N CB 1.388 39.795 38.487 -0.133 0.000 1.172 1442 N HN 0.490 nan 8.380 nan 0.000 0.499 1443 T N -0.731 113.828 114.554 0.008 0.000 2.737 1443 T HA -0.259 4.090 4.350 -0.001 0.000 0.269 1443 T C 1.924 176.716 174.700 0.152 0.000 1.040 1443 T CA 2.225 64.431 62.100 0.177 0.000 1.142 1443 T CB -0.659 68.513 68.868 0.507 0.000 0.861 1443 T HN 0.560 nan 8.240 nan 0.000 0.456 1444 T N 0.228 114.731 114.554 -0.085 0.000 2.607 1444 T HA -0.332 4.018 4.350 -0.001 0.000 0.267 1444 T C 1.886 176.149 174.700 -0.729 0.000 1.049 1444 T CA 2.099 63.787 62.100 -0.686 0.000 1.162 1444 T CB -1.139 67.407 68.868 -0.537 0.000 0.863 1444 T HN 0.679 nan 8.240 nan 0.000 0.424 1445 H N 1.072 119.881 119.070 -0.435 0.000 2.276 1445 H HA 0.103 4.658 4.556 -0.001 0.000 0.301 1445 H C 2.322 177.532 175.328 -0.197 0.000 1.073 1445 H CA 1.881 57.737 56.048 -0.321 0.000 1.311 1445 H CB -0.844 28.774 29.762 -0.240 0.000 1.379 1445 H HN 0.191 nan 8.280 nan 0.000 0.494 1446 V N 0.350 120.131 119.914 -0.221 0.000 2.252 1446 V HA -0.342 3.778 4.120 -0.001 0.000 0.255 1446 V C 2.610 178.640 176.094 -0.107 0.000 1.071 1446 V CA 2.226 64.423 62.300 -0.171 0.000 1.050 1446 V CB -0.761 31.032 31.823 -0.050 0.000 0.654 1446 V HN 0.326 nan 8.190 nan 0.000 0.448 1447 L N -0.830 120.413 121.223 0.034 0.000 2.095 1447 L HA -0.078 4.261 4.340 -0.001 0.000 0.204 1447 L C 2.548 179.453 176.870 0.058 0.000 1.080 1447 L CA 2.194 57.084 54.840 0.084 0.000 0.759 1447 L CB -1.286 41.028 42.059 0.425 0.000 0.914 1447 L HN 0.321 nan 8.230 nan 0.000 0.439 1448 T N -0.769 113.833 114.554 0.080 0.000 2.592 1448 T HA -0.324 4.025 4.350 -0.001 0.000 0.267 1448 T C 1.826 176.350 174.700 -0.293 0.000 1.060 1448 T CA 2.039 64.040 62.100 -0.165 0.000 1.167 1448 T CB -0.230 68.397 68.868 -0.402 0.000 0.863 1448 T HN 0.237 nan 8.240 nan 0.000 0.431 1449 E N 0.959 120.968 120.200 -0.318 0.000 2.031 1449 E HA -0.012 4.337 4.350 -0.001 0.000 0.193 1449 E C 2.314 178.803 176.600 -0.185 0.000 0.994 1449 E CA 1.279 57.519 56.400 -0.266 0.000 0.800 1449 E CB -0.632 28.884 29.700 -0.305 0.000 0.752 1449 E HN 0.448 nan 8.360 nan 0.000 0.447 1450 A N 0.431 123.145 122.820 -0.176 0.000 2.024 1450 A HA -0.123 4.197 4.320 -0.001 0.000 0.220 1450 A C 2.245 179.692 177.584 -0.229 0.000 1.164 1450 A CA 2.032 53.964 52.037 -0.176 0.000 0.643 1450 A CB -0.788 18.062 19.000 -0.250 0.000 0.806 1450 A HN 0.363 nan 8.150 nan 0.000 0.451 1451 A N 0.165 122.882 122.820 -0.171 0.000 1.831 1451 A HA 0.068 4.387 4.320 -0.001 0.000 0.213 1451 A C 1.940 179.543 177.584 0.031 0.000 1.223 1451 A CA 1.115 53.117 52.037 -0.058 0.000 0.604 1451 A CB -0.803 18.267 19.000 0.116 0.000 0.878 1451 A HN 0.423 nan 8.150 nan 0.000 0.450 1452 I N 0.380 121.010 120.570 0.100 0.000 2.419 1452 I HA -0.378 3.791 4.170 -0.001 0.000 0.229 1452 I C 1.663 177.702 176.117 -0.131 0.000 0.948 1452 I CA 1.601 62.887 61.300 -0.023 0.000 1.247 1452 I CB -0.507 37.330 38.000 -0.271 0.000 0.956 1452 I HN 0.334 nan 8.210 nan 0.000 0.388 1453 A N 1.527 124.254 122.820 -0.156 0.000 2.415 1453 A HA 0.481 4.801 4.320 -0.001 0.000 0.309 1453 A C 0.764 178.331 177.584 -0.029 0.000 1.356 1453 A CA 0.060 52.043 52.037 -0.090 0.000 0.998 1453 A CB -0.598 18.347 19.000 -0.091 0.000 1.145 1453 A HN 0.484 nan 8.150 nan 0.000 0.545 1454 G N 3.230 112.038 108.800 0.013 0.000 2.198 1454 G HA2 0.091 4.050 3.960 -0.001 0.000 0.280 1454 G HA3 0.091 4.050 3.960 -0.001 0.000 0.280 1454 G C 0.143 175.068 174.900 0.042 0.000 0.954 1454 G CA 0.049 45.165 45.100 0.027 0.000 1.281 1454 G HN 0.554 nan 8.290 nan 0.000 0.373 1455 K N 2.433 122.851 120.400 0.029 0.000 2.227 1455 K HA 0.184 4.503 4.320 -0.001 0.000 0.280 1455 K C 0.367 177.132 176.600 0.275 0.000 1.041 1455 K CA -0.290 56.082 56.287 0.141 0.000 0.905 1455 K CB 1.623 34.235 32.500 0.187 0.000 1.068 1455 K HN 0.455 nan 8.250 nan 0.000 0.470 1456 K N 2.458 122.993 120.400 0.225 0.000 2.257 1456 K HA 0.082 4.402 4.320 -0.001 0.000 0.270 1456 K C -0.393 176.319 176.600 0.188 0.000 1.098 1456 K CA -0.446 55.969 56.287 0.213 0.000 0.943 1456 K CB 0.643 33.218 32.500 0.125 0.000 1.316 1456 K HN 0.318 nan 8.250 nan 0.000 0.447 1457 D N 4.079 124.602 120.400 0.205 0.000 2.367 1457 D HA -0.025 4.614 4.640 -0.001 0.000 0.255 1457 D C -0.362 175.922 176.300 -0.027 0.000 1.300 1457 D CA 0.121 54.116 54.000 -0.008 0.000 0.959 1457 D CB 0.343 40.917 40.800 -0.376 0.000 1.064 1457 D HN 0.380 nan 8.370 nan 0.000 0.509 1458 E N 2.671 122.873 120.200 0.003 0.000 2.366 1458 E HA 0.053 4.402 4.350 -0.001 0.000 0.266 1458 E C -0.109 176.473 176.600 -0.031 0.000 1.015 1458 E CA -0.378 56.022 56.400 0.000 0.000 0.906 1458 E CB 1.035 30.747 29.700 0.019 0.000 0.979 1458 E HN 0.338 nan 8.360 nan 0.000 0.443 1459 L N 5.451 126.655 121.223 -0.032 0.000 2.342 1459 L HA 0.285 4.625 4.340 -0.001 0.000 0.285 1459 L C 0.019 176.870 176.870 -0.030 0.000 1.095 1459 L CA 0.355 55.167 54.840 -0.047 0.000 0.843 1459 L CB -0.252 41.779 42.059 -0.046 0.000 1.201 1459 L HN 0.398 nan 8.230 nan 0.000 0.445 1460 I N 0.557 121.100 120.570 -0.045 0.000 2.656 1460 I HA 0.998 5.168 4.170 -0.001 0.000 0.292 1460 I C 0.162 176.225 176.117 -0.091 0.000 1.144 1460 I CA -0.795 60.476 61.300 -0.049 0.000 1.038 1460 I CB 2.099 40.079 38.000 -0.034 0.000 1.244 1460 I HN 0.603 nan 8.210 nan 0.000 0.420 1461 G N 3.553 112.294 108.800 -0.098 0.000 2.629 1461 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.686 1461 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.686 1461 G C -0.334 174.561 174.900 -0.009 0.000 1.232 1461 G CA -0.397 44.610 45.100 -0.155 0.000 0.803 1461 G HN 0.789 nan 8.290 nan 0.000 0.638 1462 L N 0.207 121.479 121.223 0.082 0.000 2.202 1462 L HA 0.199 4.538 4.340 -0.001 0.000 0.205 1462 L C 2.928 179.871 176.870 0.122 0.000 1.083 1462 L CA 1.168 56.076 54.840 0.113 0.000 0.790 1462 L CB -0.392 41.727 42.059 0.099 0.000 0.942 1462 L HN 0.663 nan 8.230 nan 0.000 0.452 1463 K N 0.730 121.240 120.400 0.184 0.000 1.973 1463 K HA -0.196 4.123 4.320 -0.001 0.000 0.212 1463 K C 2.151 178.705 176.600 -0.077 0.000 1.047 1463 K CA 1.987 58.188 56.287 -0.143 0.000 0.937 1463 K CB -0.065 32.050 32.500 -0.642 0.000 0.721 1463 K HN 0.379 nan 8.250 nan 0.000 0.440 1464 E N 0.367 120.544 120.200 -0.039 0.000 2.049 1464 E HA -0.275 4.074 4.350 -0.001 0.000 0.198 1464 E C 1.673 178.225 176.600 -0.080 0.000 1.007 1464 E CA 1.751 58.089 56.400 -0.104 0.000 0.809 1464 E CB -0.733 28.888 29.700 -0.131 0.000 0.749 1464 E HN 0.331 nan 8.360 nan 0.000 0.450 1465 N N 0.258 118.932 118.700 -0.044 0.000 2.453 1465 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 1465 N C 1.719 177.211 175.510 -0.029 0.000 1.041 1465 N CA 0.561 53.589 53.050 -0.038 0.000 0.900 1465 N CB 0.239 38.711 38.487 -0.026 0.000 0.961 1465 N HN 0.004 nan 8.380 nan 0.000 0.443 1466 V N 0.564 120.463 119.914 -0.025 0.000 2.407 1466 V HA -0.120 3.999 4.120 -0.001 0.000 0.245 1466 V C 1.852 177.936 176.094 -0.016 0.000 1.041 1466 V CA 1.087 63.376 62.300 -0.019 0.000 1.040 1466 V CB -0.268 31.544 31.823 -0.019 0.000 0.671 1466 V HN 0.325 nan 8.190 nan 0.000 0.455 1467 I N -0.188 120.371 120.570 -0.018 0.000 2.185 1467 I HA -0.350 3.819 4.170 -0.001 0.000 0.246 1467 I C 2.393 178.511 176.117 0.001 0.000 1.088 1467 I CA 1.967 63.269 61.300 0.003 0.000 1.347 1467 I CB -0.571 37.436 38.000 0.011 0.000 1.041 1467 I HN 0.291 nan 8.210 nan 0.000 0.415 1468 L N 1.056 122.270 121.223 -0.015 0.000 2.275 1468 L HA -0.011 4.328 4.340 -0.001 0.000 0.215 1468 L C 1.553 178.416 176.870 -0.012 0.000 1.119 1468 L CA 1.119 55.950 54.840 -0.014 0.000 0.790 1468 L CB -0.334 41.710 42.059 -0.025 0.000 0.919 1468 L HN 0.558 nan 8.230 nan 0.000 0.443 1469 G N 0.561 109.354 108.800 -0.012 0.000 2.147 1469 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.244 1469 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.244 1469 G C 0.369 175.259 174.900 -0.016 0.000 1.005 1469 G CA 0.376 45.470 45.100 -0.010 0.000 0.713 1469 G HN 0.442 nan 8.290 nan 0.000 0.515 1470 R N -0.509 119.977 120.500 -0.022 0.000 2.532 1470 R HA 0.643 4.983 4.340 -0.001 0.000 0.272 1470 R C 0.907 177.185 176.300 -0.037 0.000 1.032 1470 R CA -0.828 55.254 56.100 -0.030 0.000 1.089 1470 R CB 0.627 30.909 30.300 -0.030 0.000 1.098 1470 R HN 0.477 nan 8.270 nan 0.000 0.526 1471 L N 3.415 124.607 121.223 -0.053 0.000 2.506 1471 L HA 0.057 4.396 4.340 -0.001 0.000 0.281 1471 L C -0.151 176.690 176.870 -0.049 0.000 1.228 1471 L CA 0.185 54.986 54.840 -0.065 0.000 0.850 1471 L CB 0.373 42.372 42.059 -0.100 0.000 1.110 1471 L HN 0.378 nan 8.230 nan 0.000 0.496 1472 I N 4.021 124.566 120.570 -0.041 0.000 2.533 1472 I HA 0.133 4.302 4.170 -0.001 0.000 0.284 1472 I C -1.678 174.426 176.117 -0.022 0.000 1.109 1472 I CA -1.934 59.352 61.300 -0.023 0.000 1.412 1472 I CB -0.201 37.792 38.000 -0.011 0.000 1.396 1472 I HN 0.561 nan 8.210 nan 0.000 0.543 1473 P HA -0.007 nan 4.420 nan 0.000 0.228 1473 P C 0.140 177.446 177.300 0.010 0.000 1.151 1473 P CA 1.019 64.117 63.100 -0.004 0.000 0.770 1473 P CB 0.443 32.139 31.700 -0.008 0.000 0.786 1474 A N -1.573 121.251 122.820 0.007 0.000 2.413 1474 A HA 0.740 5.059 4.320 -0.001 0.000 0.307 1474 A C 0.717 178.315 177.584 0.023 0.000 1.087 1474 A CA -0.060 51.989 52.037 0.020 0.000 0.750 1474 A CB 1.181 20.185 19.000 0.006 0.000 1.296 1474 A HN 0.249 nan 8.150 nan 0.000 0.423 1475 G N 0.264 109.089 108.800 0.041 0.000 3.110 1475 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.238 1475 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.238 1475 G C 0.898 175.830 174.900 0.054 0.000 1.647 1475 G CA 0.705 45.832 45.100 0.046 0.000 1.146 1475 G HN 1.302 nan 8.290 nan 0.000 0.545 1476 T N 1.617 116.199 114.554 0.047 0.000 3.067 1476 T HA 0.337 4.686 4.350 -0.001 0.000 0.257 1476 T C 2.109 176.797 174.700 -0.020 0.000 1.105 1476 T CA 1.803 63.936 62.100 0.054 0.000 1.104 1476 T CB 0.107 69.035 68.868 0.100 0.000 0.925 1476 T HN 1.139 nan 8.240 nan 0.000 0.498 1477 G N 1.983 110.764 108.800 -0.033 0.000 2.603 1477 G HA2 0.036 3.995 3.960 -0.001 0.000 0.214 1477 G HA3 0.036 3.995 3.960 -0.001 0.000 0.214 1477 G C 0.766 175.662 174.900 -0.006 0.000 1.140 1477 G CA 0.071 45.132 45.100 -0.065 0.000 0.800 1477 G HN 0.561 nan 8.290 nan 0.000 0.533 1478 S N 1.584 117.310 115.700 0.044 0.000 2.810 1478 S HA -0.066 4.404 4.470 -0.001 0.000 0.329 1478 S C 0.779 175.485 174.600 0.175 0.000 1.231 1478 S CA 0.395 58.659 58.200 0.106 0.000 1.042 1478 S CB 0.701 63.980 63.200 0.131 0.000 0.756 1478 S HN 0.260 nan 8.310 nan 0.000 0.504 1479 D N 1.911 122.442 120.400 0.218 0.000 2.190 1479 D HA -0.142 4.497 4.640 -0.001 0.000 0.200 1479 D C 1.134 177.692 176.300 0.430 0.000 0.992 1479 D CA 1.051 55.263 54.000 0.352 0.000 0.854 1479 D CB -0.369 40.579 40.800 0.247 0.000 0.936 1479 D HN 0.661 nan 8.370 nan 0.000 0.462 1480 F N 0.715 120.755 119.950 0.150 0.000 2.293 1480 F HA -0.074 4.453 4.527 -0.001 0.000 0.300 1480 F C 1.637 177.529 175.800 0.154 0.000 1.086 1480 F CA 0.743 58.812 58.000 0.116 0.000 1.375 1480 F CB 0.292 39.335 39.000 0.072 0.000 1.045 1480 F HN -0.192 nan 8.300 nan 0.000 0.516 1481 V N -0.747 119.235 119.914 0.115 0.000 3.337 1481 V HA 0.146 4.265 4.120 -0.001 0.000 0.307 1481 V C 1.770 177.916 176.094 0.086 0.000 1.505 1481 V CA 0.094 62.389 62.300 -0.008 0.000 1.072 1481 V CB -0.000 31.767 31.823 -0.092 0.000 0.929 1481 V HN 0.094 nan 8.190 nan 0.000 0.455 1482 R N 0.959 121.528 120.500 0.115 0.000 2.200 1482 R HA -0.069 4.271 4.340 -0.001 0.000 0.234 1482 R C -0.149 175.956 176.300 -0.326 0.000 1.127 1482 R CA 1.391 57.376 56.100 -0.192 0.000 0.989 1482 R CB 0.066 30.087 30.300 -0.466 0.000 0.869 1482 R HN 0.421 nan 8.270 nan 0.000 0.459 1483 F N -0.291 119.660 119.950 0.002 0.000 2.460 1483 F HA 0.425 4.951 4.527 -0.001 0.000 0.341 1483 F C -0.766 175.024 175.800 -0.017 0.000 1.130 1483 F CA -0.958 57.044 58.000 0.003 0.000 0.962 1483 F CB 2.117 41.121 39.000 0.007 0.000 1.171 1483 F HN -0.287 nan 8.300 nan 0.000 0.436 1484 T N 2.758 117.404 114.554 0.153 0.000 3.578 1484 T HA 0.326 4.675 4.350 -0.001 0.000 0.343 1484 T C -1.035 173.704 174.700 0.065 0.000 1.126 1484 T CA -1.142 61.004 62.100 0.077 0.000 1.092 1484 T CB 1.634 70.517 68.868 0.025 0.000 1.160 1484 T HN 0.617 nan 8.240 nan 0.000 0.469 1485 Q N 1.180 121.010 119.800 0.050 0.000 2.248 1485 Q HA 0.872 5.211 4.340 -0.001 0.000 0.263 1485 Q C -0.438 175.574 176.000 0.020 0.000 1.007 1485 Q CA -1.193 54.634 55.803 0.041 0.000 0.877 1485 Q CB 2.117 30.881 28.738 0.043 0.000 1.315 1485 Q HN 0.539 nan 8.270 nan 0.000 0.454 1486 V N -1.389 118.535 119.914 0.016 0.000 2.715 1486 V HA 0.878 4.997 4.120 -0.001 0.000 0.310 1486 V C -0.503 175.594 176.094 0.005 0.000 1.054 1486 V CA -0.660 61.642 62.300 0.003 0.000 0.928 1486 V CB 1.673 33.493 31.823 -0.006 0.000 1.007 1486 V HN 0.690 nan 8.190 nan 0.000 0.437 1487 V N 2.148 122.063 119.914 0.001 0.000 3.114 1487 V HA 0.583 4.702 4.120 -0.001 0.000 0.308 1487 V C -1.420 174.673 176.094 -0.002 0.000 1.168 1487 V CA -0.632 61.669 62.300 0.002 0.000 1.015 1487 V CB 2.293 34.118 31.823 0.004 0.000 1.050 1487 V HN 1.097 nan 8.190 nan 0.000 0.433 1488 D N 1.820 122.220 120.400 -0.001 0.000 2.248 1488 D HA 0.289 4.928 4.640 -0.001 0.000 0.246 1488 D C 0.376 176.675 176.300 -0.001 0.000 1.027 1488 D CA -0.755 53.244 54.000 -0.002 0.000 0.853 1488 D CB 1.952 42.751 40.800 -0.002 0.000 1.243 1488 D HN 0.314 nan 8.370 nan 0.000 0.462 1489 Q N 0.808 120.607 119.800 -0.002 0.000 2.376 1489 Q HA -0.154 4.185 4.340 -0.001 0.000 0.211 1489 Q C 1.437 177.437 176.000 -0.000 0.000 0.986 1489 Q CA 1.129 56.931 55.803 -0.001 0.000 0.886 1489 Q CB -0.023 28.714 28.738 -0.001 0.000 0.927 1489 Q HN 0.480 nan 8.270 nan 0.000 0.457 1490 K N -0.536 119.864 120.400 -0.000 0.000 2.103 1490 K HA 0.009 4.329 4.320 -0.001 0.000 0.204 1490 K C 1.773 178.374 176.600 0.001 0.000 1.052 1490 K CA 1.052 57.339 56.287 0.000 0.000 0.945 1490 K CB -0.355 32.145 32.500 -0.001 0.000 0.722 1490 K HN 0.090 nan 8.250 nan 0.000 0.443 1491 T N 2.584 117.139 114.554 0.002 0.000 3.081 1491 T HA 0.067 4.416 4.350 -0.001 0.000 0.255 1491 T C 1.521 176.223 174.700 0.004 0.000 1.113 1491 T CA 0.013 62.115 62.100 0.003 0.000 1.082 1491 T CB 0.082 68.953 68.868 0.004 0.000 0.939 1491 T HN 0.063 nan 8.240 nan 0.000 0.506 1492 L N 0.736 121.961 121.223 0.003 0.000 2.095 1492 L HA 0.077 4.416 4.340 -0.001 0.000 0.204 1492 L C 2.018 178.890 176.870 0.003 0.000 1.080 1492 L CA 1.713 56.555 54.840 0.003 0.000 0.759 1492 L CB -0.378 41.682 42.059 0.002 0.000 0.914 1492 L HN 0.021 nan 8.230 nan 0.000 0.439 1493 K N 0.540 120.941 120.400 0.002 0.000 2.062 1493 K HA 0.006 4.325 4.320 -0.001 0.000 0.205 1493 K C 2.156 178.758 176.600 0.003 0.000 1.051 1493 K CA 1.271 57.559 56.287 0.002 0.000 0.941 1493 K CB -0.502 31.998 32.500 0.002 0.000 0.719 1493 K HN 0.381 nan 8.250 nan 0.000 0.440 1494 A N 1.300 124.122 122.820 0.003 0.000 1.892 1494 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 1494 A C 2.170 179.757 177.584 0.004 0.000 1.188 1494 A CA 1.650 53.689 52.037 0.003 0.000 0.631 1494 A CB -0.558 18.444 19.000 0.003 0.000 0.822 1494 A HN 0.167 nan 8.150 nan 0.000 0.447 1495 I N -0.113 120.460 120.570 0.005 0.000 2.493 1495 I HA -0.167 4.003 4.170 -0.001 0.000 0.254 1495 I C 2.311 178.431 176.117 0.005 0.000 1.160 1495 I CA 1.638 62.942 61.300 0.006 0.000 1.445 1495 I CB -0.355 37.650 38.000 0.007 0.000 1.086 1495 I HN 0.599 nan 8.210 nan 0.000 0.433 1496 E N 0.655 120.857 120.200 0.004 0.000 2.208 1496 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 1496 E C 1.631 178.234 176.600 0.004 0.000 0.988 1496 E CA 0.791 57.194 56.400 0.004 0.000 0.828 1496 E CB 0.117 29.819 29.700 0.003 0.000 0.763 1496 E HN 0.458 nan 8.360 nan 0.000 0.478 1497 E N 0.200 120.402 120.200 0.003 0.000 2.274 1497 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 1497 E C 1.827 178.429 176.600 0.004 0.000 0.996 1497 E CA 0.797 57.199 56.400 0.003 0.000 0.840 1497 E CB 0.102 29.803 29.700 0.003 0.000 0.772 1497 E HN 0.363 nan 8.360 nan 0.000 0.491 1498 A N 1.463 124.286 122.820 0.004 0.000 1.970 1498 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 1498 A C 2.110 179.697 177.584 0.005 0.000 1.170 1498 A CA 0.681 52.721 52.037 0.005 0.000 0.645 1498 A CB -0.177 18.826 19.000 0.006 0.000 0.816 1498 A HN 0.074 nan 8.150 nan 0.000 0.447 1499 R N -0.498 120.005 120.500 0.005 0.000 2.153 1499 R HA 0.062 4.402 4.340 -0.001 0.000 0.218 1499 R C 2.085 178.387 176.300 0.004 0.000 1.072 1499 R CA 1.239 57.342 56.100 0.004 0.000 0.990 1499 R CB -0.159 30.143 30.300 0.004 0.000 0.889 1499 R HN 0.431 nan 8.270 nan 0.000 0.452 1500 K N 0.942 121.344 120.400 0.003 0.000 2.155 1500 K HA -0.086 4.233 4.320 -0.001 0.000 0.203 1500 K C 1.859 178.460 176.600 0.003 0.000 1.052 1500 K CA 0.835 57.124 56.287 0.003 0.000 0.948 1500 K CB 0.247 32.749 32.500 0.003 0.000 0.728 1500 K HN -0.015 nan 8.250 nan 0.000 0.448 1501 E N 0.176 120.377 120.200 0.003 0.000 2.482 1501 E HA -0.060 4.289 4.350 -0.001 0.000 0.196 1501 E C 1.217 177.819 176.600 0.003 0.000 1.047 1501 E CA 0.397 56.799 56.400 0.003 0.000 0.869 1501 E CB 0.219 29.921 29.700 0.003 0.000 0.836 1501 E HN 0.357 nan 8.360 nan 0.000 0.520 1502 A N 0.356 123.178 122.820 0.003 0.000 2.119 1502 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 1502 A C 1.223 178.809 177.584 0.003 0.000 1.153 1502 A CA 0.216 52.255 52.037 0.004 0.000 0.692 1502 A CB 0.034 19.036 19.000 0.004 0.000 0.799 1502 A HN 0.043 nan 8.150 nan 0.000 0.458 1503 V N 2.966 122.882 119.914 0.003 0.000 2.381 1503 V HA 0.053 4.172 4.120 -0.001 0.000 0.257 1503 V C -0.132 175.963 176.094 0.003 0.000 1.057 1503 V CA -0.481 61.821 62.300 0.003 0.000 1.013 1503 V CB -0.184 31.640 31.823 0.002 0.000 1.069 1503 V HN 0.395 nan 8.190 nan 0.000 0.484 1504 E N 3.934 124.136 120.200 0.003 0.000 2.384 1504 E HA 0.452 4.801 4.350 -0.001 0.000 0.266 1504 E C 0.854 177.456 176.600 0.002 0.000 1.012 1504 E CA 0.640 57.042 56.400 0.002 0.000 0.901 1504 E CB 0.943 30.644 29.700 0.003 0.000 0.967 1504 E HN 0.930 nan 8.360 nan 0.000 0.435 1505 A N 0.000 122.821 122.820 0.002 0.000 2.254 1505 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 1505 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1505 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486