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 2cw0_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 VALYRFPRRV RVEYVKKERA GLRLPLAAWV EKEAYKPGEI LAELPEPYLF DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGDKIVAAI DPEEEVIAEA EGVVHLHEPA 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 AVISEIDGVV RIEETEEKLS VFVESEGFSK DATA SEQUENCE EYKLPKEARL LVKDGDYVEA GQPLTRGAID 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 0.000 176.608 176.600 0.013 0.000 0.988 2 K CA 0.000 56.295 56.287 0.013 0.000 0.838 2 K CB 0.000 32.508 32.500 0.013 0.000 1.064 3 K N 1.522 121.929 120.400 0.012 0.000 2.188 3 K HA 0.056 4.386 4.320 0.017 0.000 0.246 3 K C -0.383 176.225 176.600 0.013 0.000 1.026 3 K CA 0.102 56.396 56.287 0.012 0.000 0.871 3 K CB 0.262 32.769 32.500 0.011 0.000 1.042 3 K HN 0.297 nan 8.250 nan 0.000 0.509 4 E N 0.857 121.066 120.200 0.015 0.000 2.155 4 E HA 0.188 4.548 4.350 0.017 0.000 0.264 4 E C -0.995 175.613 176.600 0.013 0.000 0.886 4 E CA -0.587 55.822 56.400 0.015 0.000 0.752 4 E CB 1.267 30.983 29.700 0.027 0.000 1.133 4 E HN 0.186 nan 8.360 nan 0.000 0.414 5 V N 5.328 125.246 119.914 0.006 0.000 2.673 5 V HA 0.080 4.210 4.120 0.017 0.000 0.303 5 V C 1.133 177.230 176.094 0.005 0.000 1.046 5 V CA 0.582 62.885 62.300 0.005 0.000 1.126 5 V CB 0.791 32.613 31.823 -0.002 0.000 0.934 5 V HN 0.798 nan 8.190 nan 0.000 0.487 6 R N 2.684 123.190 120.500 0.010 0.000 2.519 6 R HA 0.300 4.650 4.340 0.017 0.000 0.375 6 R C -0.551 175.754 176.300 0.008 0.000 0.926 6 R CA -0.269 55.836 56.100 0.008 0.000 1.166 6 R CB 0.748 31.058 30.300 0.018 0.000 1.626 6 R HN 0.629 nan 8.270 nan 0.000 0.529 7 K N 1.208 121.619 120.400 0.018 0.000 2.707 7 K HA 0.217 4.547 4.320 0.017 0.000 0.283 7 K C -0.969 175.672 176.600 0.069 0.000 1.105 7 K CA -0.336 55.971 56.287 0.034 0.000 1.018 7 K CB 2.801 35.330 32.500 0.048 0.000 1.315 7 K HN -0.197 nan 8.250 nan 0.000 0.495 8 V N 2.561 122.517 119.914 0.070 0.000 2.649 8 V HA 0.381 4.512 4.120 0.017 0.000 0.292 8 V C 0.294 176.646 176.094 0.431 0.000 1.055 8 V CA -0.260 62.148 62.300 0.180 0.000 1.023 8 V CB 1.219 33.098 31.823 0.093 0.000 0.992 8 V HN 0.600 nan 8.190 nan 0.000 0.480 9 R N 3.321 124.063 120.500 0.404 0.000 2.628 9 R HA 0.644 4.995 4.340 0.017 0.000 0.288 9 R C -1.486 174.797 176.300 -0.028 0.000 0.980 9 R CA -0.697 55.561 56.100 0.263 0.000 0.891 9 R CB 1.810 32.188 30.300 0.129 0.000 1.188 9 R HN 0.658 nan 8.270 nan 0.000 0.450 10 I N 2.788 123.077 120.570 -0.469 0.000 2.404 10 I HA 0.595 4.775 4.170 0.017 0.000 0.293 10 I C -0.307 175.667 176.117 -0.238 0.000 0.992 10 I CA -0.421 60.556 61.300 -0.540 0.000 1.149 10 I CB 1.922 39.242 38.000 -1.133 0.000 1.315 10 I HN 0.745 nan 8.210 nan 0.000 0.446 11 A N 6.351 129.128 122.820 -0.071 0.000 2.583 11 A HA 0.691 5.022 4.320 0.017 0.000 0.289 11 A C -1.375 176.306 177.584 0.162 0.000 1.151 11 A CA -0.605 51.467 52.037 0.059 0.000 0.695 11 A CB 1.444 20.496 19.000 0.086 0.000 1.290 11 A HN 0.602 nan 8.150 nan 0.000 0.419 12 L N 0.807 122.185 121.223 0.259 0.000 2.395 12 L HA 0.540 4.890 4.340 0.017 0.000 0.269 12 L C 0.720 177.744 176.870 0.258 0.000 1.133 12 L CA -0.462 54.582 54.840 0.338 0.000 0.812 12 L CB 1.513 43.866 42.059 0.491 0.000 1.125 12 L HN 0.876 nan 8.230 nan 0.000 0.452 13 A N 2.889 125.837 122.820 0.213 0.000 2.316 13 A HA 0.382 4.712 4.320 0.017 0.000 0.311 13 A C 0.052 177.539 177.584 -0.163 0.000 1.339 13 A CA -0.319 51.760 52.037 0.070 0.000 0.960 13 A CB 0.043 19.093 19.000 0.083 0.000 1.152 13 A HN 0.674 nan 8.150 nan 0.000 0.547 14 S N 4.986 120.427 115.700 -0.433 0.000 2.505 14 S HA 0.214 4.694 4.470 0.017 0.000 0.276 14 S C -1.497 172.736 174.600 -0.611 0.000 1.274 14 S CA -0.674 56.980 58.200 -0.910 0.000 1.053 14 S CB 0.835 63.217 63.200 -1.363 0.000 0.919 14 S HN 0.572 nan 8.310 nan 0.000 0.490 15 P HA -0.301 nan 4.420 nan 0.000 0.222 15 P C 1.419 178.463 177.300 -0.427 0.000 1.154 15 P CA 1.709 64.585 63.100 -0.373 0.000 0.874 15 P CB 0.032 31.588 31.700 -0.239 0.000 0.787 16 E N -0.193 119.747 120.200 -0.433 0.000 2.106 16 E HA -0.194 4.167 4.350 0.017 0.000 0.192 16 E C 1.820 178.172 176.600 -0.412 0.000 0.984 16 E CA 1.064 57.243 56.400 -0.368 0.000 0.806 16 E CB -0.658 28.857 29.700 -0.308 0.000 0.750 16 E HN 0.181 nan 8.360 nan 0.000 0.458 17 K N 0.385 120.503 120.400 -0.471 0.000 2.026 17 K HA -0.109 4.222 4.320 0.017 0.000 0.208 17 K C 2.192 178.134 176.600 -1.095 0.000 1.048 17 K CA 1.353 57.319 56.287 -0.534 0.000 0.929 17 K CB -0.156 32.152 32.500 -0.319 0.000 0.713 17 K HN 0.162 nan 8.250 nan 0.000 0.439 18 I N 1.562 121.447 120.570 -1.142 0.000 2.068 18 I HA -0.348 3.832 4.170 0.017 0.000 0.238 18 I C 2.118 177.744 176.117 -0.818 0.000 1.046 18 I CA 1.765 62.315 61.300 -1.250 0.000 1.306 18 I CB -1.223 36.351 38.000 -0.710 0.000 1.023 18 I HN 0.235 nan 8.210 nan 0.000 0.399 19 R N 0.103 120.232 120.500 -0.618 0.000 2.193 19 R HA -0.101 4.249 4.340 0.017 0.000 0.229 19 R C 2.418 178.523 176.300 -0.325 0.000 1.110 19 R CA 1.255 57.041 56.100 -0.522 0.000 0.988 19 R CB -0.391 29.591 30.300 -0.530 0.000 0.871 19 R HN 0.319 nan 8.270 nan 0.000 0.458 20 S N -0.002 115.488 115.700 -0.349 0.000 2.387 20 S HA -0.075 4.406 4.470 0.017 0.000 0.226 20 S C 1.224 175.861 174.600 0.061 0.000 1.026 20 S CA 0.646 58.759 58.200 -0.145 0.000 0.972 20 S CB 0.001 63.132 63.200 -0.115 0.000 0.814 20 S HN 0.478 nan 8.310 nan 0.000 0.477 21 W N 1.753 123.036 121.300 -0.028 0.000 2.905 21 W HA 0.446 5.117 4.660 0.018 0.000 0.251 21 W C 1.249 177.815 176.519 0.078 0.000 1.305 21 W CA -0.576 56.784 57.345 0.025 0.000 1.465 21 W CB -1.866 27.598 29.460 0.007 0.000 1.122 21 W HN 0.243 nan 8.180 nan 0.000 0.659 22 S N 0.332 116.138 115.700 0.177 0.000 2.564 22 S HA 0.244 4.724 4.470 0.017 0.000 0.278 22 S C -1.064 173.669 174.600 0.221 0.000 1.333 22 S CA -0.074 58.241 58.200 0.192 0.000 1.048 22 S CB 0.563 63.881 63.200 0.196 0.000 0.900 22 S HN 0.029 nan 8.310 nan 0.000 0.505 23 Y N 2.408 122.672 120.300 -0.061 0.000 2.429 23 Y HA 0.548 5.109 4.550 0.018 0.000 0.342 23 Y C 1.093 176.866 175.900 -0.211 0.000 1.004 23 Y CA 0.280 58.298 58.100 -0.137 0.000 1.075 23 Y CB 1.437 39.769 38.460 -0.213 0.000 1.214 23 Y HN 1.122 nan 8.280 nan 0.000 0.455 24 G N 2.591 111.347 108.800 -0.074 0.000 2.561 24 G HA2 -0.253 3.718 3.960 0.017 0.000 0.360 24 G HA3 -0.253 3.718 3.960 0.017 0.000 0.360 24 G C -0.362 174.427 174.900 -0.184 0.000 1.328 24 G CA 0.368 45.391 45.100 -0.129 0.000 0.918 24 G HN 0.654 nan 8.290 nan 0.000 0.542 25 E N -0.917 119.126 120.200 -0.261 0.000 2.542 25 E HA 0.324 4.684 4.350 0.017 0.000 0.298 25 E C -0.172 176.257 176.600 -0.284 0.000 0.980 25 E CA -0.525 55.602 56.400 -0.456 0.000 0.792 25 E CB 1.214 30.641 29.700 -0.456 0.000 1.463 25 E HN 0.536 nan 8.360 nan 0.000 0.389 26 V N 5.819 125.595 119.914 -0.230 0.000 2.484 26 V HA -0.106 4.025 4.120 0.017 0.000 0.276 26 V C 1.429 177.457 176.094 -0.110 0.000 0.976 26 V CA 1.263 63.507 62.300 -0.092 0.000 1.141 26 V CB -0.255 31.542 31.823 -0.043 0.000 0.975 26 V HN 0.585 nan 8.190 nan 0.000 0.466 27 E N 3.342 123.497 120.200 -0.076 0.000 2.526 27 E HA 0.254 4.614 4.350 0.017 0.000 0.208 27 E C 0.051 176.636 176.600 -0.025 0.000 0.997 27 E CA -0.314 56.050 56.400 -0.060 0.000 0.961 27 E CB 0.747 30.407 29.700 -0.066 0.000 1.030 27 E HN 0.640 nan 8.360 nan 0.000 0.483 28 K N 1.004 121.398 120.400 -0.010 0.000 2.501 28 K HA 0.276 4.606 4.320 0.017 0.000 0.252 28 K C -2.498 174.116 176.600 0.022 0.000 0.934 28 K CA -2.269 54.021 56.287 0.005 0.000 0.797 28 K CB 2.466 34.968 32.500 0.004 0.000 1.270 28 K HN -0.316 nan 8.250 nan 0.000 0.431 29 P HA -0.165 nan 4.420 nan 0.000 0.226 29 P C -0.606 176.719 177.300 0.042 0.000 1.146 29 P CA 0.907 64.031 63.100 0.040 0.000 0.773 29 P CB 0.203 31.924 31.700 0.035 0.000 0.772 30 E N -0.425 119.793 120.200 0.029 0.000 2.568 30 E HA -0.029 4.331 4.350 0.017 0.000 0.262 30 E C 0.685 177.308 176.600 0.037 0.000 0.961 30 E CA 0.945 57.355 56.400 0.016 0.000 0.945 30 E CB 0.436 30.139 29.700 0.006 0.000 0.924 30 E HN 0.170 nan 8.360 nan 0.000 0.467 31 T N 2.397 116.942 114.554 -0.014 0.000 3.286 31 T HA 0.294 4.655 4.350 0.017 0.000 0.237 31 T C 0.694 175.260 174.700 -0.222 0.000 0.969 31 T CA 0.132 62.195 62.100 -0.061 0.000 1.298 31 T CB 0.486 69.276 68.868 -0.129 0.000 1.053 31 T HN 0.361 nan 8.240 nan 0.000 0.402 32 I N 2.402 122.819 120.570 -0.256 0.000 2.608 32 I HA 0.276 4.456 4.170 0.017 0.000 0.280 32 I C -1.585 174.417 176.117 -0.191 0.000 1.186 32 I CA -0.796 60.346 61.300 -0.264 0.000 1.081 32 I CB 1.678 39.430 38.000 -0.413 0.000 1.272 32 I HN 0.059 nan 8.210 nan 0.000 0.460 33 N N 4.695 123.304 118.700 -0.151 0.000 2.438 33 N HA 0.020 4.770 4.740 0.017 0.000 0.267 33 N C 1.067 176.462 175.510 -0.192 0.000 1.222 33 N CA -0.021 52.914 53.050 -0.192 0.000 0.930 33 N CB 0.353 38.705 38.487 -0.226 0.000 1.083 33 N HN 0.525 nan 8.380 nan 0.000 0.476 34 Y N 2.796 123.072 120.300 -0.039 0.000 2.096 34 Y HA -0.375 4.186 4.550 0.017 0.000 0.276 34 Y C 2.162 178.089 175.900 0.045 0.000 1.209 34 Y CA 1.673 59.791 58.100 0.029 0.000 1.137 34 Y CB -0.504 37.992 38.460 0.060 0.000 0.956 34 Y HN 0.533 nan 8.280 nan 0.000 0.506 35 R N 0.992 121.374 120.500 -0.197 0.000 2.228 35 R HA -0.133 4.217 4.340 0.017 0.000 0.259 35 R C -0.491 175.830 176.300 0.035 0.000 1.183 35 R CA 1.793 57.894 56.100 0.001 0.000 1.002 35 R CB -0.313 29.902 30.300 -0.142 0.000 0.879 35 R HN 0.541 nan 8.270 nan 0.000 0.467 36 T N -0.315 114.242 114.554 0.005 0.000 3.193 36 T HA 0.226 4.586 4.350 0.017 0.000 0.332 36 T C 0.160 174.874 174.700 0.023 0.000 1.208 36 T CA -0.700 61.414 62.100 0.022 0.000 1.080 36 T CB 1.709 70.575 68.868 -0.004 0.000 1.180 36 T HN 0.020 nan 8.240 nan 0.000 0.469 37 L N 1.454 122.709 121.223 0.053 0.000 2.879 37 L HA 0.012 4.362 4.340 0.017 0.000 0.254 37 L C 0.917 177.785 176.870 -0.003 0.000 1.157 37 L CA 0.926 55.794 54.840 0.048 0.000 0.886 37 L CB -0.838 41.267 42.059 0.075 0.000 1.076 37 L HN 0.377 nan 8.230 nan 0.000 0.446 38 K N 0.797 121.189 120.400 -0.014 0.000 2.205 38 K HA 0.309 4.640 4.320 0.017 0.000 0.279 38 K C -2.107 174.471 176.600 -0.037 0.000 1.027 38 K CA -1.943 54.335 56.287 -0.015 0.000 0.932 38 K CB 0.660 33.156 32.500 -0.007 0.000 1.032 38 K HN -0.163 nan 8.250 nan 0.000 0.466 39 P HA -0.081 nan 4.420 nan 0.000 0.270 39 P C -0.233 177.068 177.300 0.002 0.000 1.221 39 P CA 0.120 63.225 63.100 0.007 0.000 0.788 39 P CB 0.565 32.327 31.700 0.102 0.000 0.904 40 E N 0.491 120.697 120.200 0.009 0.000 3.262 40 E HA 0.202 4.562 4.350 0.017 0.000 0.257 40 E C 1.162 177.775 176.600 0.022 0.000 1.195 40 E CA -0.344 56.054 56.400 -0.002 0.000 1.160 40 E CB 0.249 29.937 29.700 -0.020 0.000 1.416 40 E HN 0.286 nan 8.360 nan 0.000 0.630 41 R N 0.309 120.815 120.500 0.010 0.000 0.747 41 R HA -0.105 4.245 4.340 0.017 0.000 0.051 41 R C 1.089 177.406 176.300 0.029 0.000 0.422 41 R CA 1.003 57.111 56.100 0.013 0.000 2.148 41 R CB -1.185 29.116 30.300 0.001 0.000 0.468 41 R HN 0.422 nan 8.270 nan 0.000 0.804 42 D N 0.569 120.981 120.400 0.020 0.000 2.119 42 D HA -0.022 4.628 4.640 0.017 0.000 0.199 42 D C 0.918 177.255 176.300 0.062 0.000 0.987 42 D CA 1.942 55.956 54.000 0.023 0.000 0.858 42 D CB -1.116 39.682 40.800 -0.004 0.000 1.008 42 D HN 0.687 nan 8.370 nan 0.000 0.450 43 G N 0.171 109.004 108.800 0.055 0.000 3.158 43 G HA2 -0.263 3.707 3.960 0.017 0.000 0.538 43 G HA3 -0.263 3.707 3.960 0.017 0.000 0.538 43 G C 1.055 176.035 174.900 0.134 0.000 1.591 43 G CA 0.233 45.386 45.100 0.088 0.000 1.111 43 G HN 0.329 nan 8.290 nan 0.000 0.573 44 L N -0.357 120.921 121.223 0.093 0.000 2.187 44 L HA 0.042 4.392 4.340 0.017 0.000 0.213 44 L C 1.166 177.860 176.870 -0.294 0.000 1.100 44 L CA 1.110 55.898 54.840 -0.086 0.000 0.765 44 L CB -0.292 41.670 42.059 -0.162 0.000 0.904 44 L HN 0.346 nan 8.230 nan 0.000 0.437 45 F N -0.305 119.585 119.950 -0.100 0.000 2.403 45 F HA 0.406 4.944 4.527 0.017 0.000 0.355 45 F C -0.104 175.728 175.800 0.052 0.000 1.119 45 F CA -0.975 56.958 58.000 -0.112 0.000 1.007 45 F CB 1.286 40.223 39.000 -0.106 0.000 1.194 45 F HN -0.181 nan 8.300 nan 0.000 0.443 46 D N 1.114 121.717 120.400 0.339 0.000 2.570 46 D HA 0.267 4.917 4.640 0.017 0.000 0.244 46 D C 0.000 176.435 176.300 0.224 0.000 1.178 46 D CA -0.465 53.686 54.000 0.252 0.000 0.881 46 D CB 1.634 42.560 40.800 0.210 0.000 1.453 46 D HN 0.511 nan 8.370 nan 0.000 0.447 47 E N 0.138 120.421 120.200 0.139 0.000 2.474 47 E HA 0.094 4.455 4.350 0.017 0.000 0.195 47 E C 1.200 177.856 176.600 0.094 0.000 1.039 47 E CA -0.020 56.448 56.400 0.114 0.000 0.881 47 E CB 1.036 30.785 29.700 0.081 0.000 0.970 47 E HN 0.278 nan 8.360 nan 0.000 0.486 48 R N 0.778 121.325 120.500 0.079 0.000 2.084 48 R HA 0.104 4.455 4.340 0.017 0.000 0.209 48 R C 2.197 178.521 176.300 0.040 0.000 1.173 48 R CA 0.257 56.385 56.100 0.047 0.000 1.053 48 R CB 0.089 30.398 30.300 0.015 0.000 0.948 48 R HN -0.010 nan 8.270 nan 0.000 0.460 49 I N 0.592 121.144 120.570 -0.031 0.000 2.058 49 I HA -0.304 3.877 4.170 0.017 0.000 0.235 49 I C 1.948 177.898 176.117 -0.279 0.000 1.053 49 I CA 1.767 62.929 61.300 -0.229 0.000 1.313 49 I CB -0.418 37.260 38.000 -0.537 0.000 1.039 49 I HN 0.137 nan 8.210 nan 0.000 0.396 50 F N 0.263 120.231 119.950 0.030 0.000 2.149 50 F HA 0.249 4.787 4.527 0.017 0.000 0.294 50 F C 1.302 177.063 175.800 -0.065 0.000 1.095 50 F CA 0.923 58.888 58.000 -0.059 0.000 1.276 50 F CB -0.578 38.368 39.000 -0.090 0.000 1.023 50 F HN 0.217 nan 8.300 nan 0.000 0.480 51 G N -1.596 107.298 108.800 0.157 0.000 2.337 51 G HA2 0.283 4.253 3.960 0.017 0.000 0.298 51 G HA3 0.283 4.253 3.960 0.017 0.000 0.298 51 G C -3.149 171.796 174.900 0.075 0.000 1.335 51 G CA -1.238 43.912 45.100 0.084 0.000 0.875 51 G HN -0.301 nan 8.290 nan 0.000 0.579 52 P HA 0.377 nan 4.420 nan 0.000 0.271 52 P C 0.653 177.974 177.300 0.035 0.000 1.244 52 P CA -0.339 62.783 63.100 0.037 0.000 0.793 52 P CB 0.951 32.659 31.700 0.014 0.000 0.984 53 I N -0.620 119.973 120.570 0.039 0.000 3.616 53 I HA 0.139 4.319 4.170 0.017 0.000 0.296 53 I C 0.711 176.843 176.117 0.025 0.000 1.226 53 I CA 1.125 62.448 61.300 0.038 0.000 1.394 53 I CB 0.045 38.074 38.000 0.047 0.000 1.171 53 I HN 0.096 nan 8.210 nan 0.000 0.442 54 K N 0.477 120.893 120.400 0.027 0.000 2.416 54 K HA 0.247 4.577 4.320 0.017 0.000 0.244 54 K C -0.101 176.508 176.600 0.014 0.000 1.044 54 K CA -0.646 55.657 56.287 0.027 0.000 0.972 54 K CB 0.627 33.152 32.500 0.042 0.000 1.286 54 K HN -0.120 nan 8.250 nan 0.000 0.500 55 D N 0.112 120.530 120.400 0.030 0.000 1.713 55 D HA -0.136 4.515 4.640 0.017 0.000 0.264 55 D C 1.292 177.607 176.300 0.025 0.000 1.070 55 D CA 1.140 55.156 54.000 0.027 0.000 0.942 55 D CB -0.238 40.618 40.800 0.093 0.000 1.352 55 D HN 0.441 nan 8.370 nan 0.000 0.457 56 Y N 0.231 120.554 120.300 0.039 0.000 2.680 56 Y HA 0.003 4.563 4.550 0.017 0.000 0.303 56 Y C 0.451 176.394 175.900 0.071 0.000 1.166 56 Y CA 0.352 58.484 58.100 0.053 0.000 1.344 56 Y CB 0.027 38.523 38.460 0.060 0.000 1.002 56 Y HN 0.088 nan 8.280 nan 0.000 0.537 57 E N -1.002 119.312 120.200 0.191 0.000 2.342 57 E HA 0.166 4.526 4.350 0.017 0.000 0.257 57 E C -0.438 176.233 176.600 0.118 0.000 1.150 57 E CA -0.502 55.989 56.400 0.151 0.000 0.926 57 E CB 0.673 30.439 29.700 0.111 0.000 1.074 57 E HN 0.125 nan 8.360 nan 0.000 0.449 58 C N 0.326 119.698 119.300 0.120 0.000 2.351 58 C HA 0.688 5.158 4.460 0.017 0.000 0.359 58 C C 1.629 176.664 174.990 0.075 0.000 1.193 58 C CA 0.026 59.107 59.018 0.105 0.000 2.270 58 C CB 0.272 28.102 27.740 0.149 0.000 2.369 58 C HN 0.824 nan 8.230 nan 0.000 0.553 59 A N 1.651 124.510 122.820 0.064 0.000 2.121 59 A HA -0.066 4.265 4.320 0.017 0.000 0.218 59 A C 1.941 179.549 177.584 0.041 0.000 1.154 59 A CA 2.033 54.099 52.037 0.050 0.000 0.679 59 A CB -0.836 18.193 19.000 0.048 0.000 0.795 59 A HN 1.436 nan 8.150 nan 0.000 0.458 60 C N -4.213 115.115 119.300 0.046 0.000 2.535 60 C HA 0.568 5.038 4.460 0.017 0.000 0.310 60 C C 1.877 176.879 174.990 0.020 0.000 1.344 60 C CA 0.781 59.817 59.018 0.030 0.000 1.831 60 C CB 0.023 27.784 27.740 0.033 0.000 2.284 60 C HN 1.586 nan 8.230 nan 0.000 0.523 61 G N 0.993 109.813 108.800 0.032 0.000 2.138 61 G HA2 -0.153 3.818 3.960 0.017 0.000 0.193 61 G HA3 -0.153 3.818 3.960 0.017 0.000 0.193 61 G C 0.685 175.556 174.900 -0.048 0.000 0.998 61 G CA 0.357 45.462 45.100 0.008 0.000 0.668 61 G HN 0.376 nan 8.290 nan 0.000 0.516 62 K N -0.741 119.624 120.400 -0.059 0.000 2.296 62 K HA 0.192 4.523 4.320 0.017 0.000 0.200 62 K C 0.123 176.365 176.600 -0.597 0.000 1.048 62 K CA 0.780 56.898 56.287 -0.282 0.000 0.966 62 K CB 0.000 32.359 32.500 -0.235 0.000 0.754 62 K HN 0.564 nan 8.250 nan 0.000 0.466 63 Y N -0.570 119.674 120.300 -0.094 0.000 2.524 63 Y HA 0.310 4.871 4.550 0.017 0.000 0.347 63 Y C 0.322 176.225 175.900 0.004 0.000 1.005 63 Y CA -0.867 57.166 58.100 -0.111 0.000 1.025 63 Y CB 2.056 40.452 38.460 -0.107 0.000 1.275 63 Y HN -0.288 nan 8.280 nan 0.000 0.460 64 K N 1.608 122.124 120.400 0.193 0.000 2.972 64 K HA 0.302 4.633 4.320 0.017 0.000 0.187 64 K C -0.587 176.124 176.600 0.185 0.000 1.122 64 K CA -0.313 56.078 56.287 0.174 0.000 1.080 64 K CB 0.986 33.543 32.500 0.095 0.000 0.720 64 K HN 0.472 nan 8.250 nan 0.000 0.429 65 R N 0.367 121.015 120.500 0.246 0.000 2.766 65 R HA 0.219 4.569 4.340 0.017 0.000 0.270 65 R C 0.625 176.912 176.300 -0.022 0.000 1.035 65 R CA -0.411 55.740 56.100 0.085 0.000 0.911 65 R CB 0.667 31.017 30.300 0.083 0.000 1.243 65 R HN -0.155 nan 8.270 nan 0.000 0.460 66 Q N 0.676 120.226 119.800 -0.418 0.000 2.061 66 Q HA -0.197 4.154 4.340 0.017 0.000 0.204 66 Q C 1.438 177.351 176.000 -0.144 0.000 0.984 66 Q CA 1.666 57.161 55.803 -0.514 0.000 0.846 66 Q CB -0.368 28.050 28.738 -0.534 0.000 0.902 66 Q HN 0.415 nan 8.270 nan 0.000 0.421 67 R N 0.776 121.169 120.500 -0.179 0.000 2.140 67 R HA -0.150 4.201 4.340 0.017 0.000 0.250 67 R C 1.039 177.078 176.300 -0.436 0.000 1.150 67 R CA 1.468 57.367 56.100 -0.335 0.000 0.966 67 R CB -0.496 29.511 30.300 -0.488 0.000 0.869 67 R HN 0.262 nan 8.270 nan 0.000 0.445 68 F N 0.482 120.469 119.950 0.061 0.000 2.898 68 F HA 0.232 4.770 4.527 0.017 0.000 0.290 68 F C 1.424 177.256 175.800 0.054 0.000 1.195 68 F CA -0.329 57.706 58.000 0.059 0.000 1.387 68 F CB 0.069 39.148 39.000 0.132 0.000 0.976 68 F HN 0.122 nan 8.300 nan 0.000 0.510 69 E N 1.683 121.984 120.200 0.168 0.000 2.012 69 E HA -0.197 4.163 4.350 0.017 0.000 0.211 69 E C 2.274 178.950 176.600 0.126 0.000 1.029 69 E CA 1.962 58.494 56.400 0.221 0.000 0.867 69 E CB -0.543 29.278 29.700 0.202 0.000 0.790 69 E HN 0.336 nan 8.360 nan 0.000 0.482 70 G N -0.058 108.786 108.800 0.074 0.000 3.440 70 G HA2 0.100 4.070 3.960 0.017 0.000 0.263 70 G HA3 0.100 4.070 3.960 0.017 0.000 0.263 70 G C -0.541 174.366 174.900 0.011 0.000 1.236 70 G CA -0.305 44.818 45.100 0.038 0.000 0.927 70 G HN 0.049 nan 8.290 nan 0.000 0.530 71 K N 0.785 121.183 120.400 -0.002 0.000 2.425 71 K HA 0.401 4.732 4.320 0.017 0.000 0.259 71 K C -0.136 176.373 176.600 -0.152 0.000 0.978 71 K CA -0.675 55.582 56.287 -0.049 0.000 0.883 71 K CB 2.813 35.309 32.500 -0.005 0.000 1.110 71 K HN -0.012 nan 8.250 nan 0.000 0.436 72 V N 2.568 122.411 119.914 -0.118 0.000 3.524 72 V HA -0.111 4.019 4.120 0.017 0.000 0.303 72 V C 0.096 176.052 176.094 -0.229 0.000 1.130 72 V CA -0.088 62.133 62.300 -0.133 0.000 1.225 72 V CB 0.836 32.617 31.823 -0.070 0.000 1.056 72 V HN 0.980 nan 8.190 nan 0.000 0.495 73 C N 4.175 123.385 119.300 -0.150 0.000 2.459 73 C HA 0.350 4.820 4.460 0.017 0.000 0.374 73 C C 1.403 176.414 174.990 0.035 0.000 1.241 73 C CA -0.289 58.697 59.018 -0.052 0.000 2.352 73 C CB 0.155 27.941 27.740 0.076 0.000 2.490 73 C HN 1.079 nan 8.230 nan 0.000 0.583 74 E N 1.435 121.711 120.200 0.128 0.000 1.994 74 E HA -0.121 4.240 4.350 0.017 0.000 0.197 74 E C 1.619 178.250 176.600 0.051 0.000 0.982 74 E CA 1.154 57.604 56.400 0.083 0.000 0.855 74 E CB -0.130 29.631 29.700 0.102 0.000 0.806 74 E HN 0.556 nan 8.360 nan 0.000 0.495 75 R N -0.271 120.259 120.500 0.050 0.000 2.377 75 R HA -0.011 4.339 4.340 0.017 0.000 0.207 75 R C 0.158 176.475 176.300 0.027 0.000 1.075 75 R CA 0.345 56.462 56.100 0.028 0.000 1.035 75 R CB -0.865 29.446 30.300 0.018 0.000 0.857 75 R HN 0.240 nan 8.270 nan 0.000 0.475 76 C N -3.421 115.901 119.300 0.037 0.000 3.307 76 C HA 0.731 5.202 4.460 0.017 0.000 0.333 76 C C -0.215 174.790 174.990 0.025 0.000 1.291 76 C CA -1.041 57.995 59.018 0.030 0.000 1.273 76 C CB 1.340 29.102 27.740 0.037 0.000 1.580 76 C HN 0.279 nan 8.230 nan 0.000 0.481 77 G N 1.733 110.542 108.800 0.016 0.000 2.428 77 G HA2 0.611 4.582 3.960 0.017 0.000 0.320 77 G HA3 0.611 4.582 3.960 0.017 0.000 0.320 77 G C -0.974 173.937 174.900 0.019 0.000 1.098 77 G CA -0.282 44.822 45.100 0.007 0.000 0.984 77 G HN 1.432 nan 8.290 nan 0.000 0.444 78 V N 3.331 123.252 119.914 0.012 0.000 2.818 78 V HA 0.124 4.255 4.120 0.017 0.000 0.256 78 V C 0.390 176.488 176.094 0.006 0.000 0.925 78 V CA -0.830 61.485 62.300 0.025 0.000 0.908 78 V CB 0.848 32.697 31.823 0.044 0.000 1.052 78 V HN 0.939 nan 8.190 nan 0.000 0.498 79 E N 2.424 122.631 120.200 0.012 0.000 3.368 79 E HA 0.476 4.836 4.350 0.017 0.000 0.320 79 E C -0.837 175.771 176.600 0.014 0.000 1.507 79 E CA 0.142 56.545 56.400 0.006 0.000 1.600 79 E CB 1.299 31.017 29.700 0.030 0.000 1.117 79 E HN 0.393 nan 8.360 nan 0.000 0.726 80 V N -0.476 119.442 119.914 0.007 0.000 3.022 80 V HA 0.328 4.458 4.120 0.017 0.000 0.272 80 V C -1.819 174.192 176.094 -0.138 0.000 1.584 80 V CA -0.164 62.115 62.300 -0.034 0.000 0.974 80 V CB 2.092 33.925 31.823 0.018 0.000 1.219 80 V HN 0.779 nan 8.190 nan 0.000 0.450 81 T N 5.854 120.259 114.554 -0.247 0.000 3.802 81 T HA 0.283 4.644 4.350 0.017 0.000 0.397 81 T C -0.880 173.638 174.700 -0.305 0.000 1.404 81 T CA -0.803 61.049 62.100 -0.415 0.000 1.151 81 T CB 1.307 70.028 68.868 -0.245 0.000 1.329 81 T HN 0.922 nan 8.240 nan 0.000 0.474 82 K N 1.380 121.567 120.400 -0.354 0.000 2.600 82 K HA -0.121 4.210 4.320 0.017 0.000 0.271 82 K C 1.528 178.042 176.600 -0.143 0.000 0.994 82 K CA 0.728 56.899 56.287 -0.193 0.000 1.026 82 K CB 0.111 32.523 32.500 -0.148 0.000 0.817 82 K HN 0.654 nan 8.250 nan 0.000 0.492 83 S N 1.522 117.165 115.700 -0.095 0.000 2.457 83 S HA -0.329 4.152 4.470 0.017 0.000 0.269 83 S C 1.897 176.417 174.600 -0.133 0.000 1.139 83 S CA 2.244 60.395 58.200 -0.082 0.000 1.176 83 S CB -1.027 62.140 63.200 -0.054 0.000 1.088 83 S HN 0.796 nan 8.310 nan 0.000 0.443 84 I N 0.462 120.928 120.570 -0.173 0.000 2.292 84 I HA -0.245 3.936 4.170 0.017 0.000 0.255 84 I C 1.589 177.457 176.117 -0.415 0.000 1.078 84 I CA 1.907 63.032 61.300 -0.290 0.000 1.365 84 I CB -0.752 37.075 38.000 -0.288 0.000 1.049 84 I HN 0.236 nan 8.210 nan 0.000 0.439 85 V N 0.645 120.392 119.914 -0.278 0.000 3.510 85 V HA -0.014 4.117 4.120 0.017 0.000 0.270 85 V C 2.373 178.367 176.094 -0.168 0.000 1.201 85 V CA 1.396 63.549 62.300 -0.245 0.000 1.166 85 V CB -1.338 30.401 31.823 -0.140 0.000 0.825 85 V HN 0.489 nan 8.190 nan 0.000 0.484 86 R N 1.410 121.827 120.500 -0.139 0.000 2.317 86 R HA 0.056 4.406 4.340 0.017 0.000 0.208 86 R C 2.034 178.303 176.300 -0.052 0.000 0.914 86 R CA 0.271 56.339 56.100 -0.053 0.000 1.060 86 R CB 0.163 30.448 30.300 -0.025 0.000 1.015 86 R HN 0.679 nan 8.270 nan 0.000 0.498 87 R N -2.286 118.157 120.500 -0.094 0.000 2.437 87 R HA 0.123 4.473 4.340 0.017 0.000 0.257 87 R C 0.423 176.897 176.300 0.290 0.000 0.927 87 R CA 0.078 56.189 56.100 0.018 0.000 1.078 87 R CB 0.080 30.370 30.300 -0.017 0.000 1.161 87 R HN 0.255 nan 8.270 nan 0.000 0.529 88 Y N 0.537 120.805 120.300 -0.055 0.000 2.430 88 Y HA 0.397 4.958 4.550 0.017 0.000 0.254 88 Y C 0.297 176.144 175.900 -0.088 0.000 1.088 88 Y CA -1.064 56.998 58.100 -0.064 0.000 1.267 88 Y CB 0.850 39.270 38.460 -0.067 0.000 1.204 88 Y HN -0.157 nan 8.280 nan 0.000 0.515 89 R N 1.496 122.017 120.500 0.036 0.000 2.265 89 R HA 0.289 4.639 4.340 0.017 0.000 0.314 89 R C 0.068 176.371 176.300 0.005 0.000 1.053 89 R CA -0.119 55.885 56.100 -0.160 0.000 0.931 89 R CB 1.213 31.217 30.300 -0.495 0.000 1.024 89 R HN 0.108 nan 8.270 nan 0.000 0.457 90 M N 0.569 120.175 119.600 0.010 0.000 1.898 90 M HA 0.426 4.916 4.480 0.017 0.000 0.191 90 M C 0.716 177.036 176.300 0.034 0.000 1.181 90 M CA -0.155 55.228 55.300 0.139 0.000 0.990 90 M CB 0.886 33.623 32.600 0.229 0.000 1.143 90 M HN 0.790 nan 8.290 nan 0.000 0.540 91 G N -0.318 108.533 108.800 0.084 0.000 2.473 91 G HA2 0.388 4.359 3.960 0.017 0.000 0.298 91 G HA3 0.388 4.359 3.960 0.017 0.000 0.298 91 G C -1.556 173.374 174.900 0.051 0.000 1.575 91 G CA -0.759 44.300 45.100 -0.068 0.000 0.846 91 G HN 0.905 nan 8.290 nan 0.000 0.585 92 H N -0.104 118.927 119.070 -0.065 0.000 2.858 92 H HA 0.816 5.382 4.556 0.017 0.000 0.318 92 H C -1.103 174.191 175.328 -0.057 0.000 1.419 92 H CA -1.350 54.661 56.048 -0.061 0.000 1.373 92 H CB 2.106 31.811 29.762 -0.095 0.000 1.915 92 H HN 0.415 nan 8.280 nan 0.000 0.704 93 I N 1.342 121.911 120.570 -0.001 0.000 2.517 93 I HA 0.033 4.214 4.170 0.017 0.000 0.280 93 I C -0.631 175.538 176.117 0.086 0.000 1.061 93 I CA -0.571 60.701 61.300 -0.045 0.000 1.091 93 I CB 1.864 39.862 38.000 -0.003 0.000 1.205 93 I HN 0.516 nan 8.210 nan 0.000 0.459 94 E N 6.578 126.843 120.200 0.108 0.000 1.985 94 E HA 0.222 4.583 4.350 0.017 0.000 0.268 94 E C -0.366 176.251 176.600 0.030 0.000 1.219 94 E CA 0.001 56.470 56.400 0.115 0.000 0.942 94 E CB 0.257 30.026 29.700 0.115 0.000 1.045 94 E HN 0.419 nan 8.360 nan 0.000 0.413 95 L N 2.723 123.955 121.223 0.014 0.000 2.499 95 L HA -0.024 4.326 4.340 0.017 0.000 0.281 95 L C 1.486 178.348 176.870 -0.012 0.000 1.234 95 L CA 0.184 55.022 54.840 -0.004 0.000 0.839 95 L CB 0.573 42.623 42.059 -0.016 0.000 1.104 95 L HN 0.658 nan 8.230 nan 0.000 0.500 96 A N 2.315 125.126 122.820 -0.014 0.000 1.840 96 A HA -0.006 4.324 4.320 0.017 0.000 0.214 96 A C 0.864 178.432 177.584 -0.027 0.000 1.198 96 A CA 1.214 53.240 52.037 -0.018 0.000 0.608 96 A CB -0.091 18.900 19.000 -0.015 0.000 0.839 96 A HN 0.710 nan 8.150 nan 0.000 0.443 97 T N 0.784 115.318 114.554 -0.033 0.000 2.937 97 T HA 0.521 4.881 4.350 0.017 0.000 0.297 97 T C -2.828 171.837 174.700 -0.057 0.000 0.991 97 T CA -0.937 61.136 62.100 -0.046 0.000 0.990 97 T CB 1.689 70.527 68.868 -0.049 0.000 0.991 97 T HN 0.016 nan 8.240 nan 0.000 0.440 98 P HA 0.149 nan 4.420 nan 0.000 0.275 98 P C -1.062 176.186 177.300 -0.087 0.000 1.195 98 P CA 0.278 63.334 63.100 -0.073 0.000 0.779 98 P CB 0.357 32.007 31.700 -0.083 0.000 0.793 99 A N 0.721 123.497 122.820 -0.074 0.000 2.566 99 A HA 0.803 5.133 4.320 0.017 0.000 0.292 99 A C -1.368 176.202 177.584 -0.024 0.000 1.112 99 A CA -0.155 51.841 52.037 -0.068 0.000 0.707 99 A CB 1.776 20.748 19.000 -0.047 0.000 1.302 99 A HN 0.526 nan 8.150 nan 0.000 0.409 100 A N 0.063 122.916 122.820 0.056 0.000 2.355 100 A HA 0.643 4.974 4.320 0.017 0.000 0.317 100 A C -0.374 177.316 177.584 0.176 0.000 1.094 100 A CA -0.470 51.656 52.037 0.147 0.000 0.764 100 A CB 0.284 19.513 19.000 0.380 0.000 1.230 100 A HN 1.018 nan 8.150 nan 0.000 0.448 101 H N 2.660 121.707 119.070 -0.038 0.000 3.248 101 H HA 0.036 4.603 4.556 0.017 0.000 0.258 101 H C 0.987 176.377 175.328 0.103 0.000 0.923 101 H CA 0.002 56.001 56.048 -0.082 0.000 1.416 101 H CB 0.241 29.755 29.762 -0.413 0.000 1.523 101 H HN 0.694 nan 8.280 nan 0.000 0.528 102 I N 4.694 125.448 120.570 0.306 0.000 2.454 102 I HA -0.313 3.867 4.170 0.017 0.000 0.254 102 I C 1.338 177.631 176.117 0.294 0.000 1.156 102 I CA 0.662 62.123 61.300 0.268 0.000 1.433 102 I CB -0.087 38.076 38.000 0.271 0.000 1.082 102 I HN 0.778 nan 8.210 nan 0.000 0.432 103 W N 0.602 121.881 121.300 -0.035 0.000 2.350 103 W HA -0.217 4.453 4.660 0.017 0.000 0.289 103 W C 2.182 178.800 176.519 0.164 0.000 1.215 103 W CA 1.556 58.877 57.345 -0.039 0.000 1.236 103 W CB -0.729 28.548 29.460 -0.304 0.000 1.130 103 W HN 0.118 nan 8.180 nan 0.000 0.541 104 F N -2.147 117.840 119.950 0.062 0.000 2.374 104 F HA -0.088 4.450 4.527 0.017 0.000 0.291 104 F C 1.964 177.786 175.800 0.037 0.000 1.084 104 F CA 0.415 58.455 58.000 0.066 0.000 1.413 104 F CB -0.537 38.544 39.000 0.135 0.000 1.099 104 F HN -0.419 nan 8.300 nan 0.000 0.534 105 V N -0.713 119.338 119.914 0.229 0.000 2.788 105 V HA -0.095 4.035 4.120 0.017 0.000 0.251 105 V C 1.724 177.810 176.094 -0.012 0.000 1.068 105 V CA 1.276 63.599 62.300 0.038 0.000 1.090 105 V CB -0.324 31.407 31.823 -0.153 0.000 0.710 105 V HN 0.122 nan 8.190 nan 0.000 0.467 106 K N -0.109 120.309 120.400 0.031 0.000 2.373 106 K HA 0.224 4.555 4.320 0.017 0.000 0.202 106 K C -0.143 176.429 176.600 -0.047 0.000 1.025 106 K CA -0.087 56.193 56.287 -0.011 0.000 1.115 106 K CB 0.057 32.563 32.500 0.011 0.000 0.858 106 K HN 0.386 nan 8.250 nan 0.000 0.525 107 D N 0.105 120.468 120.400 -0.060 0.000 2.389 107 D HA -0.002 4.648 4.640 0.017 0.000 0.247 107 D C 1.540 177.737 176.300 -0.172 0.000 1.128 107 D CA -0.017 53.889 54.000 -0.157 0.000 0.884 107 D CB 1.401 42.080 40.800 -0.202 0.000 1.194 107 D HN -0.290 nan 8.370 nan 0.000 0.441 108 V N 4.040 123.823 119.914 -0.218 0.000 2.236 108 V HA -0.204 3.927 4.120 0.017 0.000 0.255 108 V C -1.337 174.657 176.094 -0.168 0.000 1.068 108 V CA 1.514 63.702 62.300 -0.186 0.000 1.044 108 V CB -1.433 30.260 31.823 -0.217 0.000 0.653 108 V HN 0.707 nan 8.190 nan 0.000 0.448 109 P HA 0.161 nan 4.420 nan 0.000 0.273 109 P C -0.341 176.891 177.300 -0.112 0.000 1.428 109 P CA 0.367 63.377 63.100 -0.150 0.000 0.995 109 P CB 0.481 32.081 31.700 -0.166 0.000 1.286 110 S N 3.677 119.336 115.700 -0.068 0.000 2.560 110 S HA -0.012 4.469 4.470 0.017 0.000 0.323 110 S C 1.194 175.798 174.600 0.007 0.000 1.191 110 S CA -0.097 58.087 58.200 -0.026 0.000 1.231 110 S CB -0.335 62.856 63.200 -0.015 0.000 1.224 110 S HN 0.221 nan 8.310 nan 0.000 0.545 111 K N 3.492 123.903 120.400 0.018 0.000 2.439 111 K HA -0.045 4.286 4.320 0.017 0.000 0.197 111 K C 1.426 178.129 176.600 0.171 0.000 1.041 111 K CA 1.132 57.456 56.287 0.061 0.000 0.970 111 K CB -0.215 32.286 32.500 0.001 0.000 0.773 111 K HN 0.855 nan 8.250 nan 0.000 0.479 112 I N -4.234 116.438 120.570 0.170 0.000 4.057 112 I HA 0.223 4.404 4.170 0.017 0.000 0.334 112 I C 1.503 177.701 176.117 0.135 0.000 1.308 112 I CA 0.258 61.671 61.300 0.188 0.000 1.125 112 I CB 0.714 38.857 38.000 0.238 0.000 1.034 112 I HN -0.128 nan 8.210 nan 0.000 0.401 113 G N 0.182 109.037 108.800 0.093 0.000 2.833 113 G HA2 0.063 4.033 3.960 0.017 0.000 0.210 113 G HA3 0.063 4.033 3.960 0.017 0.000 0.210 113 G C 1.179 176.112 174.900 0.055 0.000 1.139 113 G CA 0.786 45.926 45.100 0.066 0.000 0.771 113 G HN 0.347 nan 8.290 nan 0.000 0.535 114 T N 1.042 115.631 114.554 0.058 0.000 2.925 114 T HA 0.016 4.376 4.350 0.017 0.000 0.245 114 T C 2.157 176.899 174.700 0.069 0.000 1.025 114 T CA 0.548 62.677 62.100 0.048 0.000 1.149 114 T CB -0.164 68.722 68.868 0.031 0.000 0.866 114 T HN 0.077 nan 8.240 nan 0.000 0.437 115 L N 0.679 121.967 121.223 0.110 0.000 2.083 115 L HA 0.191 4.541 4.340 0.017 0.000 0.209 115 L C 0.450 177.366 176.870 0.077 0.000 1.083 115 L CA 1.601 56.517 54.840 0.127 0.000 0.752 115 L CB -0.487 41.691 42.059 0.198 0.000 0.899 115 L HN 0.201 nan 8.230 nan 0.000 0.433 116 L N 0.620 121.889 121.223 0.075 0.000 2.264 116 L HA 0.198 4.548 4.340 0.017 0.000 0.287 116 L C -0.101 176.803 176.870 0.056 0.000 1.039 116 L CA -0.473 54.402 54.840 0.058 0.000 0.829 116 L CB 0.888 42.988 42.059 0.070 0.000 1.211 116 L HN -0.044 nan 8.230 nan 0.000 0.427 117 D N 3.285 123.711 120.400 0.044 0.000 2.801 117 D HA 0.085 4.736 4.640 0.017 0.000 0.249 117 D C -0.153 176.172 176.300 0.041 0.000 1.273 117 D CA 0.476 54.499 54.000 0.038 0.000 0.953 117 D CB -0.252 40.567 40.800 0.031 0.000 1.134 117 D HN 0.124 nan 8.370 nan 0.000 0.449 118 L N 0.082 121.336 121.223 0.051 0.000 2.379 118 L HA 0.206 4.556 4.340 0.017 0.000 0.269 118 L C 0.764 177.665 176.870 0.050 0.000 1.084 118 L CA -0.422 54.452 54.840 0.058 0.000 0.802 118 L CB 1.055 43.164 42.059 0.082 0.000 1.175 118 L HN -0.167 nan 8.230 nan 0.000 0.448 119 S N 2.517 118.244 115.700 0.047 0.000 3.211 119 S HA -0.107 4.374 4.470 0.017 0.000 0.375 119 S C 1.685 176.302 174.600 0.028 0.000 0.945 119 S CA 0.348 58.568 58.200 0.034 0.000 1.951 119 S CB -0.602 62.618 63.200 0.033 0.000 1.183 119 S HN 0.798 nan 8.310 nan 0.000 0.649 120 A N 4.138 126.970 122.820 0.020 0.000 1.962 120 A HA -0.328 4.002 4.320 0.017 0.000 0.239 120 A C 1.948 179.531 177.584 -0.002 0.000 1.810 120 A CA 2.791 54.834 52.037 0.010 0.000 0.738 120 A CB -0.962 18.037 19.000 -0.001 0.000 0.839 120 A HN 0.740 nan 8.150 nan 0.000 0.533 121 T N -3.744 110.806 114.554 -0.008 0.000 3.130 121 T HA 0.244 4.604 4.350 0.017 0.000 0.288 121 T C 1.068 175.758 174.700 -0.017 0.000 0.936 121 T CA 0.315 62.401 62.100 -0.023 0.000 0.897 121 T CB 0.573 69.420 68.868 -0.036 0.000 1.178 121 T HN 0.344 nan 8.240 nan 0.000 0.543 122 E N 0.789 120.990 120.200 0.001 0.000 2.364 122 E HA 0.357 4.718 4.350 0.017 0.000 0.203 122 E C 1.680 178.299 176.600 0.032 0.000 0.888 122 E CA 0.059 56.462 56.400 0.005 0.000 0.989 122 E CB 0.272 29.972 29.700 -0.001 0.000 0.985 122 E HN 0.338 nan 8.360 nan 0.000 0.499 123 L N 1.330 122.584 121.223 0.052 0.000 1.961 123 L HA -0.200 4.151 4.340 0.017 0.000 0.209 123 L C 2.084 179.039 176.870 0.141 0.000 1.075 123 L CA 1.713 56.604 54.840 0.085 0.000 0.749 123 L CB -0.153 41.957 42.059 0.084 0.000 0.890 123 L HN 0.037 nan 8.230 nan 0.000 0.433 124 E N -0.642 119.659 120.200 0.168 0.000 2.048 124 E HA -0.377 3.983 4.350 0.017 0.000 0.202 124 E C 2.053 178.815 176.600 0.269 0.000 1.021 124 E CA 1.793 58.376 56.400 0.304 0.000 0.825 124 E CB -0.299 29.444 29.700 0.072 0.000 0.756 124 E HN 0.369 nan 8.360 nan 0.000 0.454 125 Q N 0.424 120.282 119.800 0.096 0.000 2.268 125 Q HA -0.158 4.193 4.340 0.017 0.000 0.210 125 Q C 1.883 177.967 176.000 0.140 0.000 0.988 125 Q CA 1.228 57.083 55.803 0.087 0.000 0.883 125 Q CB -0.112 28.621 28.738 -0.009 0.000 0.911 125 Q HN 0.243 nan 8.270 nan 0.000 0.430 126 V N -0.718 119.274 119.914 0.130 0.000 3.565 126 V HA 0.042 4.173 4.120 0.017 0.000 0.260 126 V C 1.418 177.650 176.094 0.230 0.000 1.231 126 V CA 0.890 63.238 62.300 0.081 0.000 1.100 126 V CB 0.211 32.029 31.823 -0.008 0.000 0.807 126 V HN 0.551 nan 8.190 nan 0.000 0.454 127 L N -2.776 118.619 121.223 0.287 0.000 2.425 127 L HA 0.305 4.655 4.340 0.017 0.000 0.215 127 L C 2.094 179.119 176.870 0.259 0.000 1.065 127 L CA 1.250 56.252 54.840 0.270 0.000 0.842 127 L CB -0.986 41.183 42.059 0.183 0.000 1.033 127 L HN 0.152 nan 8.230 nan 0.000 0.474 128 Y N 0.728 121.120 120.300 0.152 0.000 2.034 128 Y HA -0.103 4.457 4.550 0.018 0.000 0.269 128 Y C 1.828 177.721 175.900 -0.011 0.000 1.125 128 Y CA 2.230 60.360 58.100 0.050 0.000 1.097 128 Y CB -0.942 37.570 38.460 0.087 0.000 0.978 128 Y HN 0.123 nan 8.280 nan 0.000 0.480 129 F N -0.172 119.937 119.950 0.265 0.000 2.707 129 F HA 0.168 4.706 4.527 0.017 0.000 0.299 129 F C 1.001 176.899 175.800 0.163 0.000 1.259 129 F CA 0.710 58.814 58.000 0.173 0.000 1.437 129 F CB -0.571 38.510 39.000 0.136 0.000 1.071 129 F HN -0.094 nan 8.300 nan 0.000 0.518 130 S N 0.068 115.937 115.700 0.281 0.000 3.241 130 S HA 0.315 4.796 4.470 0.017 0.000 0.305 130 S C -0.773 173.890 174.600 0.105 0.000 1.234 130 S CA -0.731 57.624 58.200 0.257 0.000 1.238 130 S CB 0.388 63.904 63.200 0.526 0.000 1.504 130 S HN 0.241 nan 8.310 nan 0.000 0.508 131 K N 1.062 121.414 120.400 -0.079 0.000 3.045 131 K HA 0.366 4.697 4.320 0.017 0.000 0.211 131 K C -1.251 175.026 176.600 -0.538 0.000 1.141 131 K CA -0.253 55.876 56.287 -0.263 0.000 1.036 131 K CB -0.269 32.089 32.500 -0.237 0.000 0.851 131 K HN 0.440 nan 8.250 nan 0.000 0.462 132 Y N 1.953 122.257 120.300 0.007 0.000 2.955 132 Y HA 0.276 4.836 4.550 0.018 0.000 0.386 132 Y C 0.156 176.040 175.900 -0.027 0.000 1.069 132 Y CA -1.230 56.874 58.100 0.006 0.000 1.764 132 Y CB -0.704 37.780 38.460 0.039 0.000 1.646 132 Y HN 0.192 nan 8.280 nan 0.000 0.486 133 I N 1.174 121.673 120.570 -0.119 0.000 3.384 133 I HA -0.208 3.972 4.170 0.017 0.000 0.361 133 I C 0.255 176.321 176.117 -0.086 0.000 1.146 133 I CA 0.483 61.685 61.300 -0.163 0.000 1.572 133 I CB -0.220 37.550 38.000 -0.384 0.000 1.239 133 I HN 0.075 nan 8.210 nan 0.000 0.473 134 V N 5.721 125.592 119.914 -0.073 0.000 2.459 134 V HA 0.415 4.545 4.120 0.017 0.000 0.295 134 V C 0.010 176.071 176.094 -0.055 0.000 1.029 134 V CA -0.978 61.301 62.300 -0.034 0.000 0.874 134 V CB 1.723 33.540 31.823 -0.009 0.000 0.985 134 V HN 0.645 nan 8.190 nan 0.000 0.438 135 L N 3.766 124.970 121.223 -0.031 0.000 2.451 135 L HA 0.178 4.529 4.340 0.017 0.000 0.272 135 L C 1.042 177.903 176.870 -0.014 0.000 1.258 135 L CA 0.220 55.047 54.840 -0.022 0.000 1.132 135 L CB -0.384 41.679 42.059 0.006 0.000 1.361 135 L HN 0.868 nan 8.230 nan 0.000 0.438 136 D N 3.872 124.256 120.400 -0.027 0.000 1.740 136 D HA -0.073 4.577 4.640 0.017 0.000 0.295 136 D C -1.274 175.021 176.300 -0.008 0.000 1.251 136 D CA 0.646 54.633 54.000 -0.022 0.000 1.068 136 D CB -0.669 40.110 40.800 -0.034 0.000 1.835 136 D HN 0.297 nan 8.370 nan 0.000 0.619 137 P HA 0.024 nan 4.420 nan 0.000 0.330 137 P C -0.148 177.162 177.300 0.018 0.000 1.377 137 P CA 0.121 63.223 63.100 0.003 0.000 0.793 137 P CB 0.250 31.950 31.700 0.000 0.000 1.813 138 K N -1.088 119.329 120.400 0.030 0.000 2.185 138 K HA 0.409 4.740 4.320 0.017 0.000 0.245 138 K C 1.064 177.706 176.600 0.070 0.000 1.035 138 K CA 0.978 57.296 56.287 0.052 0.000 0.847 138 K CB -0.833 31.710 32.500 0.071 0.000 1.056 138 K HN 0.699 nan 8.250 nan 0.000 0.518 139 G N -1.398 107.461 108.800 0.098 0.000 5.473 139 G HA2 0.371 4.341 3.960 0.017 0.000 0.206 139 G HA3 0.371 4.341 3.960 0.017 0.000 0.206 139 G C 0.695 175.672 174.900 0.129 0.000 0.904 139 G CA 0.271 45.445 45.100 0.123 0.000 0.697 139 G HN 0.612 nan 8.290 nan 0.000 0.279 140 A N 0.822 123.724 122.820 0.135 0.000 1.698 140 A HA -0.310 4.021 4.320 0.017 0.000 0.315 140 A C 1.579 179.170 177.584 0.012 0.000 3.574 140 A CA 1.850 53.911 52.037 0.040 0.000 0.952 140 A CB -1.420 17.533 19.000 -0.078 0.000 0.759 140 A HN 1.026 nan 8.150 nan 0.000 0.516 141 I N -0.134 120.452 120.570 0.028 0.000 3.245 141 I HA 0.164 4.344 4.170 0.017 0.000 0.290 141 I C 0.233 176.376 176.117 0.043 0.000 1.269 141 I CA 0.323 61.641 61.300 0.029 0.000 1.383 141 I CB -0.178 37.862 38.000 0.068 0.000 1.337 141 I HN 0.579 nan 8.210 nan 0.000 0.599 142 L N 1.386 122.632 121.223 0.039 0.000 2.323 142 L HA 0.525 4.876 4.340 0.017 0.000 0.265 142 L C -0.107 176.795 176.870 0.053 0.000 1.012 142 L CA -0.606 54.259 54.840 0.042 0.000 0.820 142 L CB 0.890 42.966 42.059 0.029 0.000 1.334 142 L HN 0.353 nan 8.230 nan 0.000 0.427 143 N N 0.893 119.626 118.700 0.054 0.000 2.380 143 N HA 0.308 5.059 4.740 0.017 0.000 0.255 143 N C 0.862 176.402 175.510 0.050 0.000 1.158 143 N CA 0.673 53.759 53.050 0.060 0.000 0.878 143 N CB 1.350 39.876 38.487 0.065 0.000 1.138 143 N HN 1.127 nan 8.380 nan 0.000 0.509 144 G N -0.413 108.412 108.800 0.042 0.000 2.313 144 G HA2 -0.244 3.727 3.960 0.017 0.000 0.215 144 G HA3 -0.244 3.727 3.960 0.017 0.000 0.215 144 G C -0.190 174.727 174.900 0.028 0.000 1.023 144 G CA -0.040 45.080 45.100 0.033 0.000 0.626 144 G HN 0.276 nan 8.290 nan 0.000 0.503 145 V N 3.200 123.133 119.914 0.031 0.000 2.960 145 V HA 0.762 4.893 4.120 0.017 0.000 0.315 145 V C -1.540 174.571 176.094 0.028 0.000 1.087 145 V CA -1.523 60.793 62.300 0.027 0.000 0.982 145 V CB 2.254 34.094 31.823 0.028 0.000 1.039 145 V HN 0.195 nan 8.190 nan 0.000 0.437 146 P HA 0.010 nan 4.420 nan 0.000 0.286 146 P C -0.419 176.899 177.300 0.031 0.000 1.278 146 P CA 0.177 63.291 63.100 0.022 0.000 0.785 146 P CB 0.289 31.999 31.700 0.016 0.000 1.269 147 V N 0.368 120.301 119.914 0.032 0.000 2.508 147 V HA 0.025 4.155 4.120 0.017 0.000 0.281 147 V C 1.029 177.143 176.094 0.034 0.000 1.041 147 V CA 0.255 62.578 62.300 0.039 0.000 1.016 147 V CB -0.603 31.245 31.823 0.043 0.000 0.984 147 V HN 0.378 nan 8.190 nan 0.000 0.478 148 E N 5.855 126.076 120.200 0.036 0.000 1.852 148 E HA 0.042 4.402 4.350 0.017 0.000 0.276 148 E C 1.007 177.622 176.600 0.026 0.000 1.163 148 E CA -0.401 56.017 56.400 0.031 0.000 1.117 148 E CB 0.191 29.911 29.700 0.034 0.000 1.124 148 E HN 0.601 nan 8.360 nan 0.000 0.458 149 K N 1.587 122.001 120.400 0.024 0.000 2.192 149 K HA -0.307 4.023 4.320 0.017 0.000 0.214 149 K C 1.359 177.969 176.600 0.016 0.000 1.046 149 K CA 1.673 57.972 56.287 0.020 0.000 0.937 149 K CB -0.200 32.311 32.500 0.018 0.000 0.734 149 K HN 0.248 nan 8.250 nan 0.000 0.473 150 R N 0.618 121.129 120.500 0.019 0.000 2.599 150 R HA 0.125 4.476 4.340 0.017 0.000 0.451 150 R C -0.663 175.651 176.300 0.024 0.000 0.988 150 R CA -0.056 56.055 56.100 0.018 0.000 1.085 150 R CB 0.673 30.984 30.300 0.019 0.000 1.452 150 R HN 0.226 nan 8.270 nan 0.000 0.596 151 Q N 1.762 121.578 119.800 0.026 0.000 2.340 151 Q HA 0.353 4.703 4.340 0.017 0.000 0.268 151 Q C -0.336 175.683 176.000 0.033 0.000 1.031 151 Q CA -0.829 54.993 55.803 0.032 0.000 0.804 151 Q CB 2.832 31.589 28.738 0.033 0.000 1.286 151 Q HN 0.258 nan 8.270 nan 0.000 0.448 152 L N 0.618 121.865 121.223 0.041 0.000 2.466 152 L HA 0.648 4.999 4.340 0.017 0.000 0.257 152 L C -0.288 176.616 176.870 0.056 0.000 1.189 152 L CA -0.804 54.062 54.840 0.044 0.000 0.813 152 L CB 0.028 42.126 42.059 0.065 0.000 1.118 152 L HN 0.539 nan 8.230 nan 0.000 0.471 153 L N -1.821 119.434 121.223 0.054 0.000 2.359 153 L HA 0.724 5.074 4.340 0.017 0.000 0.256 153 L C -0.150 176.777 176.870 0.096 0.000 1.026 153 L CA -0.814 54.072 54.840 0.075 0.000 0.828 153 L CB 1.804 43.909 42.059 0.077 0.000 1.406 153 L HN 0.591 nan 8.230 nan 0.000 0.413 154 T N -0.722 113.904 114.554 0.120 0.000 2.868 154 T HA 0.082 4.443 4.350 0.017 0.000 0.292 154 T C 0.342 175.111 174.700 0.115 0.000 1.028 154 T CA -0.048 62.137 62.100 0.142 0.000 1.059 154 T CB 1.071 70.022 68.868 0.139 0.000 0.991 154 T HN 0.731 nan 8.240 nan 0.000 0.531 155 D N 0.749 121.194 120.400 0.076 0.000 2.116 155 D HA -0.128 4.523 4.640 0.017 0.000 0.193 155 D C 2.089 178.452 176.300 0.105 0.000 0.998 155 D CA 1.124 55.160 54.000 0.059 0.000 0.836 155 D CB 0.043 40.843 40.800 -0.001 0.000 0.951 155 D HN 0.519 nan 8.370 nan 0.000 0.449 156 E N 0.699 120.952 120.200 0.087 0.000 2.153 156 E HA -0.175 4.186 4.350 0.017 0.000 0.194 156 E C 1.918 178.565 176.600 0.078 0.000 0.988 156 E CA 0.860 57.301 56.400 0.069 0.000 0.811 156 E CB -0.227 29.513 29.700 0.067 0.000 0.746 156 E HN 0.567 nan 8.360 nan 0.000 0.466 157 E N -0.233 120.032 120.200 0.108 0.000 2.158 157 E HA -0.131 4.229 4.350 0.017 0.000 0.191 157 E C 1.952 178.643 176.600 0.152 0.000 0.982 157 E CA 0.391 56.861 56.400 0.116 0.000 0.823 157 E CB -0.219 29.550 29.700 0.115 0.000 0.766 157 E HN 0.215 nan 8.360 nan 0.000 0.468 158 Y N 2.142 122.458 120.300 0.027 0.000 2.242 158 Y HA -0.101 4.460 4.550 0.018 0.000 0.291 158 Y C 2.153 178.070 175.900 0.029 0.000 1.137 158 Y CA 1.310 59.422 58.100 0.021 0.000 1.181 158 Y CB -0.110 38.347 38.460 -0.005 0.000 0.989 158 Y HN -0.208 nan 8.280 nan 0.000 0.527 159 R N 0.066 120.516 120.500 -0.084 0.000 2.115 159 R HA -0.146 4.205 4.340 0.017 0.000 0.230 159 R C 2.019 178.281 176.300 -0.063 0.000 1.111 159 R CA 1.515 57.519 56.100 -0.160 0.000 0.976 159 R CB -0.166 30.089 30.300 -0.074 0.000 0.870 159 R HN 0.278 nan 8.270 nan 0.000 0.445 160 E N -0.536 119.665 120.200 0.002 0.000 2.418 160 E HA -0.095 4.265 4.350 0.017 0.000 0.197 160 E C 0.921 177.545 176.600 0.040 0.000 1.026 160 E CA 0.392 56.813 56.400 0.036 0.000 0.862 160 E CB 0.240 29.977 29.700 0.062 0.000 0.799 160 E HN 0.120 nan 8.360 nan 0.000 0.518 161 L N -0.577 120.658 121.223 0.020 0.000 2.208 161 L HA 0.143 4.494 4.340 0.017 0.000 0.196 161 L C 2.214 179.084 176.870 -0.000 0.000 1.130 161 L CA 1.134 55.999 54.840 0.041 0.000 0.791 161 L CB -0.723 41.397 42.059 0.102 0.000 0.969 161 L HN -0.066 nan 8.230 nan 0.000 0.468 162 R N -0.784 119.658 120.500 -0.097 0.000 2.196 162 R HA -0.328 4.022 4.340 0.017 0.000 0.234 162 R C 1.873 178.177 176.300 0.006 0.000 1.113 162 R CA 2.453 58.496 56.100 -0.094 0.000 0.899 162 R CB -1.033 29.101 30.300 -0.275 0.000 0.863 162 R HN 0.347 nan 8.270 nan 0.000 0.430 163 Y N 1.252 121.481 120.300 -0.118 0.000 2.471 163 Y HA 0.209 4.770 4.550 0.017 0.000 0.321 163 Y C 0.522 176.396 175.900 -0.043 0.000 1.195 163 Y CA 0.550 58.605 58.100 -0.075 0.000 1.272 163 Y CB -0.265 38.139 38.460 -0.093 0.000 1.097 163 Y HN 0.591 nan 8.280 nan 0.000 0.507 164 G N 0.559 109.332 108.800 -0.046 0.000 2.796 164 G HA2 -0.306 3.664 3.960 0.017 0.000 0.226 164 G HA3 -0.306 3.664 3.960 0.017 0.000 0.226 164 G C 0.812 175.719 174.900 0.011 0.000 1.381 164 G CA -0.093 44.980 45.100 -0.045 0.000 0.867 164 G HN 0.208 nan 8.290 nan 0.000 0.552 165 K N -0.214 120.207 120.400 0.035 0.000 1.985 165 K HA -0.053 4.278 4.320 0.017 0.000 0.210 165 K C 1.497 178.087 176.600 -0.017 0.000 1.047 165 K CA 2.129 58.459 56.287 0.071 0.000 0.932 165 K CB -0.242 32.365 32.500 0.179 0.000 0.716 165 K HN 0.622 nan 8.250 nan 0.000 0.439 166 Q N -0.022 119.746 119.800 -0.053 0.000 2.348 166 Q HA 0.217 4.567 4.340 0.017 0.000 0.271 166 Q C -1.646 174.342 176.000 -0.020 0.000 1.067 166 Q CA -0.347 55.327 55.803 -0.216 0.000 0.839 166 Q CB 1.801 30.258 28.738 -0.470 0.000 1.354 166 Q HN 0.150 nan 8.270 nan 0.000 0.447 167 E N 1.742 121.914 120.200 -0.047 0.000 2.646 167 E HA 0.320 4.681 4.350 0.017 0.000 0.336 167 E C -1.528 175.057 176.600 -0.026 0.000 1.027 167 E CA -0.247 56.197 56.400 0.072 0.000 0.765 167 E CB 0.583 30.346 29.700 0.105 0.000 1.545 167 E HN 0.668 nan 8.360 nan 0.000 0.382 168 T N 2.828 117.367 114.554 -0.024 0.000 2.887 168 T HA 0.337 4.697 4.350 0.017 0.000 0.288 168 T C -0.787 173.955 174.700 0.069 0.000 1.021 168 T CA -0.609 61.488 62.100 -0.005 0.000 1.000 168 T CB 0.694 69.496 68.868 -0.110 0.000 1.034 168 T HN 0.429 nan 8.240 nan 0.000 0.467 169 Y N -0.201 120.021 120.300 -0.130 0.000 2.480 169 Y HA 0.546 5.106 4.550 0.017 0.000 0.356 169 Y C -3.061 172.751 175.900 -0.146 0.000 0.922 169 Y CA -3.775 54.248 58.100 -0.128 0.000 1.146 169 Y CB -0.572 37.826 38.460 -0.104 0.000 1.185 169 Y HN 0.265 nan 8.280 nan 0.000 0.624 170 P HA 0.110 nan 4.420 nan 0.000 0.259 170 P C -0.760 176.372 177.300 -0.280 0.000 1.635 170 P CA 0.066 62.940 63.100 -0.376 0.000 1.199 170 P CB -0.078 31.427 31.700 -0.325 0.000 1.850 171 L N 2.298 123.331 121.223 -0.316 0.000 2.290 171 L HA 0.619 4.970 4.340 0.017 0.000 0.284 171 L C -2.300 174.480 176.870 -0.149 0.000 1.078 171 L CA -2.266 52.444 54.840 -0.216 0.000 0.815 171 L CB -0.791 41.073 42.059 -0.325 0.000 1.162 171 L HN 0.048 nan 8.230 nan 0.000 0.435 172 P HA 0.214 nan 4.420 nan 0.000 0.269 172 P C -2.471 174.826 177.300 -0.005 0.000 1.211 172 P CA -0.245 62.844 63.100 -0.018 0.000 0.781 172 P CB -0.196 31.517 31.700 0.021 0.000 0.877 173 P HA 0.466 nan 4.420 nan 0.000 0.290 173 P C -0.075 177.241 177.300 0.028 0.000 1.302 173 P CA -0.298 62.811 63.100 0.015 0.000 0.893 173 P CB 1.009 32.714 31.700 0.007 0.000 1.272 174 G N -1.169 107.650 108.800 0.031 0.000 2.682 174 G HA2 -0.167 3.803 3.960 0.017 0.000 0.256 174 G HA3 -0.167 3.803 3.960 0.017 0.000 0.256 174 G C 0.399 175.327 174.900 0.048 0.000 1.333 174 G CA 0.067 45.190 45.100 0.037 0.000 0.904 174 G HN 0.394 nan 8.290 nan 0.000 0.569 175 V N -0.804 119.141 119.914 0.051 0.000 2.950 175 V HA 0.172 4.302 4.120 0.017 0.000 0.231 175 V C 1.775 177.903 176.094 0.057 0.000 1.205 175 V CA 1.723 64.060 62.300 0.063 0.000 1.239 175 V CB 0.029 31.897 31.823 0.075 0.000 1.050 175 V HN 0.682 nan 8.190 nan 0.000 0.498 176 D N 0.928 121.357 120.400 0.048 0.000 2.328 176 D HA 0.312 4.963 4.640 0.017 0.000 0.226 176 D C 1.076 177.398 176.300 0.037 0.000 1.066 176 D CA 0.772 54.798 54.000 0.043 0.000 0.861 176 D CB 0.538 41.360 40.800 0.037 0.000 0.912 176 D HN 0.418 nan 8.370 nan 0.000 0.521 177 A N 1.000 123.842 122.820 0.037 0.000 3.559 177 A HA 0.072 4.403 4.320 0.017 0.000 0.145 177 A C 1.870 179.476 177.584 0.036 0.000 1.506 177 A CA -0.200 51.856 52.037 0.033 0.000 1.065 177 A CB -0.853 18.165 19.000 0.031 0.000 1.485 177 A HN 0.188 nan 8.150 nan 0.000 0.698 178 L N -0.103 121.142 121.223 0.038 0.000 2.302 178 L HA -0.209 4.141 4.340 0.017 0.000 0.218 178 L C 2.119 179.020 176.870 0.052 0.000 1.100 178 L CA 1.290 56.157 54.840 0.046 0.000 0.774 178 L CB -0.321 41.770 42.059 0.053 0.000 0.896 178 L HN 0.386 nan 8.230 nan 0.000 0.439 179 V N -0.626 119.319 119.914 0.052 0.000 2.688 179 V HA -0.309 3.821 4.120 0.017 0.000 0.256 179 V C 2.276 178.399 176.094 0.049 0.000 1.084 179 V CA 1.885 64.220 62.300 0.057 0.000 1.103 179 V CB -0.712 31.148 31.823 0.061 0.000 0.688 179 V HN 0.501 nan 8.190 nan 0.000 0.480 180 K N -0.701 119.722 120.400 0.038 0.000 2.323 180 K HA 0.010 4.340 4.320 0.017 0.000 0.197 180 K C 1.474 178.086 176.600 0.020 0.000 1.043 180 K CA 0.592 56.896 56.287 0.029 0.000 0.997 180 K CB 0.007 32.521 32.500 0.024 0.000 0.807 180 K HN 0.428 nan 8.250 nan 0.000 0.497 181 D N 0.422 120.835 120.400 0.021 0.000 2.323 181 D HA -0.033 4.618 4.640 0.017 0.000 0.209 181 D C 1.639 177.939 176.300 0.000 0.000 0.973 181 D CA 0.634 54.636 54.000 0.002 0.000 0.874 181 D CB 0.369 41.170 40.800 0.002 0.000 0.930 181 D HN 0.273 nan 8.370 nan 0.000 0.521 182 G N 1.293 110.116 108.800 0.038 0.000 2.624 182 G HA2 -0.173 3.797 3.960 0.017 0.000 0.216 182 G HA3 -0.173 3.797 3.960 0.017 0.000 0.216 182 G C 1.399 176.325 174.900 0.043 0.000 1.274 182 G CA 0.124 45.263 45.100 0.064 0.000 0.856 182 G HN 0.162 nan 8.290 nan 0.000 0.555 183 E N 0.756 120.983 120.200 0.044 0.000 2.086 183 E HA -0.251 4.110 4.350 0.017 0.000 0.205 183 E C 2.347 178.958 176.600 0.019 0.000 1.027 183 E CA 1.630 58.050 56.400 0.034 0.000 0.830 183 E CB -0.242 29.478 29.700 0.033 0.000 0.751 183 E HN 0.568 nan 8.360 nan 0.000 0.456 184 E N 0.001 120.208 120.200 0.011 0.000 2.160 184 E HA -0.135 4.226 4.350 0.017 0.000 0.195 184 E C 0.591 177.184 176.600 -0.012 0.000 0.991 184 E CA 0.965 57.365 56.400 0.000 0.000 0.810 184 E CB 0.264 29.962 29.700 -0.003 0.000 0.742 184 E HN 0.057 nan 8.360 nan 0.000 0.466 185 V N 0.743 120.644 119.914 -0.022 0.000 2.666 185 V HA 0.134 4.265 4.120 0.017 0.000 0.306 185 V C 0.150 176.221 176.094 -0.037 0.000 1.156 185 V CA -0.180 62.092 62.300 -0.047 0.000 1.274 185 V CB 1.065 32.831 31.823 -0.096 0.000 1.536 185 V HN 0.058 nan 8.190 nan 0.000 0.640 186 V N -0.539 119.378 119.914 0.005 0.000 3.219 186 V HA 0.337 4.467 4.120 0.017 0.000 0.214 186 V C 0.492 176.609 176.094 0.039 0.000 1.433 186 V CA 0.251 62.576 62.300 0.041 0.000 1.301 186 V CB 0.857 32.726 31.823 0.077 0.000 1.160 186 V HN 0.413 nan 8.190 nan 0.000 0.505 187 K N 2.046 122.463 120.400 0.028 0.000 2.237 187 K HA 0.440 4.770 4.320 0.017 0.000 0.283 187 K C 0.982 177.593 176.600 0.018 0.000 1.080 187 K CA 0.844 57.145 56.287 0.023 0.000 0.965 187 K CB -0.177 32.334 32.500 0.017 0.000 1.098 187 K HN 0.820 nan 8.250 nan 0.000 0.434 188 G N 2.256 111.069 108.800 0.021 0.000 2.358 188 G HA2 -0.255 3.715 3.960 0.017 0.000 0.224 188 G HA3 -0.255 3.715 3.960 0.017 0.000 0.224 188 G C 0.065 174.972 174.900 0.011 0.000 1.073 188 G CA -0.494 44.616 45.100 0.017 0.000 0.635 188 G HN 0.502 nan 8.290 nan 0.000 0.509 189 Q N 1.957 121.760 119.800 0.006 0.000 2.242 189 Q HA 0.248 4.599 4.340 0.017 0.000 0.284 189 Q C 0.082 176.083 176.000 0.001 0.000 1.130 189 Q CA 0.539 56.340 55.803 -0.004 0.000 0.940 189 Q CB 0.424 29.153 28.738 -0.016 0.000 1.146 189 Q HN 0.626 nan 8.270 nan 0.000 0.388 190 E N 2.456 122.655 120.200 -0.001 0.000 1.855 190 E HA -0.013 4.347 4.350 0.017 0.000 0.259 190 E C -0.309 176.293 176.600 0.003 0.000 1.229 190 E CA 0.153 56.555 56.400 0.003 0.000 1.042 190 E CB -0.427 29.271 29.700 -0.003 0.000 1.079 190 E HN 0.355 nan 8.360 nan 0.000 0.434 191 L N 2.668 123.900 121.223 0.014 0.000 2.600 191 L HA 0.107 4.458 4.340 0.017 0.000 0.278 191 L C 0.950 177.838 176.870 0.031 0.000 1.139 191 L CA -0.536 54.309 54.840 0.008 0.000 0.933 191 L CB -0.104 41.965 42.059 0.017 0.000 1.266 191 L HN 0.464 nan 8.230 nan 0.000 0.471 192 A N 6.982 129.806 122.820 0.007 0.000 2.433 192 A HA 0.264 4.595 4.320 0.017 0.000 0.250 192 A C -2.211 175.388 177.584 0.024 0.000 1.113 192 A CA -0.736 51.306 52.037 0.008 0.000 0.794 192 A CB -0.480 18.514 19.000 -0.009 0.000 1.067 192 A HN 0.473 nan 8.150 nan 0.000 0.510 193 P HA 0.371 nan 4.420 nan 0.000 0.276 193 P C 0.581 177.875 177.300 -0.010 0.000 1.243 193 P CA 1.577 64.667 63.100 -0.017 0.000 0.768 193 P CB 0.861 32.509 31.700 -0.087 0.000 0.856 194 G N 1.633 110.450 108.800 0.028 0.000 2.132 194 G HA2 -0.207 3.764 3.960 0.017 0.000 0.234 194 G HA3 -0.207 3.764 3.960 0.017 0.000 0.234 194 G C 0.193 175.119 174.900 0.043 0.000 0.989 194 G CA -0.380 44.741 45.100 0.036 0.000 0.676 194 G HN 0.486 nan 8.290 nan 0.000 0.522 195 V N -0.095 119.848 119.914 0.048 0.000 2.928 195 V HA 0.195 4.326 4.120 0.017 0.000 0.307 195 V C 1.252 177.332 176.094 -0.023 0.000 1.105 195 V CA 0.607 62.883 62.300 -0.040 0.000 1.223 195 V CB 1.623 33.341 31.823 -0.175 0.000 0.930 195 V HN 0.419 nan 8.190 nan 0.000 0.499 196 V N 4.438 124.316 119.914 -0.061 0.000 2.239 196 V HA 0.205 4.336 4.120 0.017 0.000 0.267 196 V C 0.456 176.518 176.094 -0.053 0.000 1.056 196 V CA -0.089 62.198 62.300 -0.022 0.000 0.830 196 V CB 0.951 32.766 31.823 -0.012 0.000 1.090 196 V HN 0.932 nan 8.190 nan 0.000 0.459 197 S N 3.793 119.470 115.700 -0.039 0.000 2.568 197 S HA 0.232 4.712 4.470 0.017 0.000 0.282 197 S C 1.045 175.653 174.600 0.014 0.000 1.338 197 S CA -0.123 58.059 58.200 -0.029 0.000 1.045 197 S CB 0.367 63.638 63.200 0.117 0.000 0.873 197 S HN 0.733 nan 8.310 nan 0.000 0.516 198 R N 3.122 123.624 120.500 0.004 0.000 2.552 198 R HA 0.360 4.711 4.340 0.017 0.000 0.314 198 R C 0.514 176.825 176.300 0.017 0.000 1.041 198 R CA -0.094 56.012 56.100 0.009 0.000 1.076 198 R CB 0.090 30.389 30.300 -0.002 0.000 1.290 198 R HN 0.512 nan 8.270 nan 0.000 0.563 199 L N -0.537 120.703 121.223 0.027 0.000 2.613 199 L HA 0.231 4.582 4.340 0.017 0.000 0.200 199 L C -0.150 176.734 176.870 0.023 0.000 1.467 199 L CA -0.429 54.425 54.840 0.024 0.000 2.933 199 L CB 0.420 42.495 42.059 0.027 0.000 2.750 199 L HN 0.048 nan 8.230 nan 0.000 0.990 200 D N 1.590 122.004 120.400 0.023 0.000 2.402 200 D HA 0.258 4.909 4.640 0.017 0.000 0.268 200 D C 0.542 176.852 176.300 0.016 0.000 1.294 200 D CA 1.283 55.294 54.000 0.017 0.000 0.945 200 D CB -0.033 40.776 40.800 0.014 0.000 1.112 200 D HN 0.657 nan 8.370 nan 0.000 0.517 201 G N 1.824 110.633 108.800 0.015 0.000 2.547 201 G HA2 -0.243 3.728 3.960 0.017 0.000 0.271 201 G HA3 -0.243 3.728 3.960 0.017 0.000 0.271 201 G C -0.367 174.546 174.900 0.022 0.000 1.209 201 G CA -0.059 45.050 45.100 0.014 0.000 0.959 201 G HN 0.593 nan 8.290 nan 0.000 0.563 202 V N 1.027 120.958 119.914 0.027 0.000 2.538 202 V HA 0.644 4.774 4.120 0.017 0.000 0.265 202 V C 0.815 176.946 176.094 0.062 0.000 0.977 202 V CA 0.043 62.367 62.300 0.041 0.000 0.852 202 V CB 0.527 32.371 31.823 0.034 0.000 1.058 202 V HN 2.158 nan 8.190 nan 0.000 0.462 203 A N 5.234 128.106 122.820 0.085 0.000 2.609 203 A HA 0.392 4.723 4.320 0.017 0.000 0.232 203 A C -0.127 177.569 177.584 0.185 0.000 1.041 203 A CA 0.714 52.823 52.037 0.121 0.000 0.753 203 A CB 0.074 19.196 19.000 0.203 0.000 0.966 203 A HN 0.804 nan 8.150 nan 0.000 0.510 204 L N 2.698 124.016 121.223 0.159 0.000 2.401 204 L HA 0.238 4.589 4.340 0.017 0.000 0.263 204 L C -1.257 175.757 176.870 0.240 0.000 1.004 204 L CA -0.432 54.524 54.840 0.193 0.000 0.881 204 L CB 0.884 43.010 42.059 0.111 0.000 1.219 204 L HN 0.724 nan 8.230 nan 0.000 0.441 205 Y N 2.715 123.052 120.300 0.061 0.000 2.724 205 Y HA 0.173 4.734 4.550 0.018 0.000 0.354 205 Y C 1.507 177.476 175.900 0.115 0.000 1.270 205 Y CA -0.427 57.729 58.100 0.094 0.000 1.902 205 Y CB -0.337 38.162 38.460 0.064 0.000 1.981 205 Y HN 0.407 nan 8.280 nan 0.000 0.428 206 R N 0.426 121.090 120.500 0.273 0.000 2.346 206 R HA 0.024 4.375 4.340 0.017 0.000 0.199 206 R C -0.859 175.401 176.300 -0.066 0.000 1.015 206 R CA 0.321 56.485 56.100 0.106 0.000 1.058 206 R CB -0.359 29.962 30.300 0.035 0.000 0.921 206 R HN 0.261 nan 8.270 nan 0.000 0.475 207 F N 0.037 120.032 119.950 0.074 0.000 2.507 207 F HA 0.362 4.899 4.527 0.017 0.000 0.325 207 F C -1.513 174.324 175.800 0.061 0.000 1.116 207 F CA -2.791 55.243 58.000 0.056 0.000 0.930 207 F CB 1.285 40.311 39.000 0.044 0.000 1.146 207 F HN -0.180 nan 8.300 nan 0.000 0.447 208 P HA -0.254 nan 4.420 nan 0.000 0.298 208 P C 1.097 178.447 177.300 0.084 0.000 1.956 208 P CA 0.546 63.702 63.100 0.092 0.000 1.748 208 P CB 0.379 32.128 31.700 0.083 0.000 0.302 209 R N -0.879 119.649 120.500 0.047 0.000 2.313 209 R HA -0.231 4.120 4.340 0.017 0.000 0.210 209 R C 0.799 177.117 176.300 0.030 0.000 1.096 209 R CA 1.981 58.096 56.100 0.025 0.000 0.681 209 R CB -1.267 29.033 30.300 0.001 0.000 0.918 209 R HN 0.576 nan 8.270 nan 0.000 0.333 210 R N -0.341 120.178 120.500 0.033 0.000 2.854 210 R HA 0.494 4.844 4.340 0.017 0.000 0.271 210 R C 0.113 176.453 176.300 0.066 0.000 0.994 210 R CA -0.602 55.521 56.100 0.038 0.000 0.945 210 R CB 1.996 32.304 30.300 0.013 0.000 1.194 210 R HN 0.046 nan 8.270 nan 0.000 0.476 211 V N -0.268 119.690 119.914 0.074 0.000 3.602 211 V HA 0.691 4.822 4.120 0.017 0.000 0.285 211 V C 0.035 176.176 176.094 0.079 0.000 1.187 211 V CA -0.991 61.373 62.300 0.106 0.000 0.940 211 V CB 1.125 33.031 31.823 0.139 0.000 1.250 211 V HN 0.805 nan 8.190 nan 0.000 0.455 212 R N -0.911 119.644 120.500 0.092 0.000 3.964 212 R HA 0.494 4.844 4.340 0.017 0.000 0.244 212 R C -2.681 173.666 176.300 0.079 0.000 1.004 212 R CA -0.297 55.844 56.100 0.068 0.000 1.148 212 R CB 1.610 31.945 30.300 0.058 0.000 1.234 212 R HN 0.727 nan 8.270 nan 0.000 0.567 213 V N 4.019 123.970 119.914 0.063 0.000 2.604 213 V HA 0.425 4.555 4.120 0.017 0.000 0.305 213 V C 0.206 176.328 176.094 0.046 0.000 1.043 213 V CA -0.179 62.162 62.300 0.069 0.000 0.888 213 V CB 2.024 33.890 31.823 0.072 0.000 0.995 213 V HN 0.966 nan 8.190 nan 0.000 0.429 214 E N 3.588 123.833 120.200 0.075 0.000 2.040 214 E HA 0.120 4.480 4.350 0.017 0.000 0.205 214 E C -0.643 175.952 176.600 -0.009 0.000 0.936 214 E CA 0.542 56.986 56.400 0.074 0.000 0.900 214 E CB 0.053 29.888 29.700 0.224 0.000 0.889 214 E HN 0.686 nan 8.360 nan 0.000 0.503 215 Y N -0.009 120.350 120.300 0.099 0.000 2.408 215 Y HA 0.297 4.857 4.550 0.017 0.000 0.324 215 Y C 0.361 176.311 175.900 0.085 0.000 1.302 215 Y CA -0.717 57.441 58.100 0.095 0.000 1.384 215 Y CB 0.898 39.426 38.460 0.113 0.000 1.367 215 Y HN -0.093 nan 8.280 nan 0.000 0.525 216 V N -0.423 119.631 119.914 0.233 0.000 3.156 216 V HA 0.583 4.713 4.120 0.017 0.000 0.311 216 V C -0.764 175.425 176.094 0.159 0.000 1.208 216 V CA -0.947 61.444 62.300 0.152 0.000 1.063 216 V CB 2.029 33.906 31.823 0.091 0.000 1.098 216 V HN 0.715 nan 8.190 nan 0.000 0.452 217 K N 0.207 120.681 120.400 0.123 0.000 2.904 217 K HA 0.569 4.899 4.320 0.017 0.000 0.257 217 K C -0.669 175.992 176.600 0.102 0.000 1.834 217 K CA -0.493 55.869 56.287 0.124 0.000 1.045 217 K CB 0.172 32.746 32.500 0.124 0.000 2.283 217 K HN 0.559 nan 8.250 nan 0.000 0.397 218 K N 0.119 120.571 120.400 0.086 0.000 2.580 218 K HA 0.282 4.612 4.320 0.017 0.000 0.258 218 K C -1.504 175.130 176.600 0.056 0.000 0.936 218 K CA 0.274 56.602 56.287 0.068 0.000 0.852 218 K CB 1.445 33.984 32.500 0.065 0.000 1.329 218 K HN 0.396 nan 8.250 nan 0.000 0.430 219 E N 2.264 122.492 120.200 0.047 0.000 1.292 219 E HA 0.083 4.444 4.350 0.017 0.000 0.214 219 E C -0.722 175.899 176.600 0.035 0.000 1.047 219 E CA -0.448 55.976 56.400 0.039 0.000 1.073 219 E CB -0.015 29.709 29.700 0.040 0.000 4.695 219 E HN 0.446 nan 8.360 nan 0.000 0.688 220 R N 0.294 120.816 120.500 0.037 0.000 3.681 220 R HA 0.622 4.972 4.340 0.017 0.000 0.252 220 R C -2.009 174.311 176.300 0.034 0.000 1.000 220 R CA 0.149 56.268 56.100 0.033 0.000 1.056 220 R CB 1.008 31.325 30.300 0.028 0.000 1.243 220 R HN 0.478 nan 8.270 nan 0.000 0.549 221 A N 2.161 124.999 122.820 0.031 0.000 2.536 221 A HA 0.672 5.002 4.320 0.017 0.000 0.329 221 A C -0.409 177.187 177.584 0.019 0.000 1.321 221 A CA 0.070 52.123 52.037 0.027 0.000 0.804 221 A CB 1.100 20.119 19.000 0.031 0.000 1.126 221 A HN 0.712 nan 8.150 nan 0.000 0.480 222 G N 0.859 109.669 108.800 0.016 0.000 2.524 222 G HA2 0.531 4.502 3.960 0.017 0.000 0.310 222 G HA3 0.531 4.502 3.960 0.017 0.000 0.310 222 G C 0.094 174.998 174.900 0.006 0.000 1.279 222 G CA -0.742 44.365 45.100 0.011 0.000 0.974 222 G HN 0.871 nan 8.290 nan 0.000 0.484 223 L N 0.717 121.941 121.223 0.001 0.000 3.737 223 L HA -0.155 4.195 4.340 0.017 0.000 0.418 223 L C 1.311 178.178 176.870 -0.004 0.000 1.216 223 L CA 1.199 56.038 54.840 -0.002 0.000 0.915 223 L CB -2.417 39.645 42.059 0.004 0.000 1.834 223 L HN 0.948 nan 8.230 nan 0.000 0.943 224 R N -0.717 119.778 120.500 -0.008 0.000 2.936 224 R HA 0.703 5.053 4.340 0.017 0.000 0.218 224 R C 0.471 176.758 176.300 -0.022 0.000 1.528 224 R CA -0.712 55.381 56.100 -0.012 0.000 1.005 224 R CB 0.305 30.602 30.300 -0.006 0.000 2.099 224 R HN -0.021 nan 8.270 nan 0.000 0.527 225 L N -0.304 120.904 121.223 -0.026 0.000 2.543 225 L HA 0.368 4.719 4.340 0.017 0.000 0.231 225 L C -1.386 175.469 176.870 -0.025 0.000 1.194 225 L CA -2.109 52.714 54.840 -0.029 0.000 0.823 225 L CB -0.613 41.424 42.059 -0.036 0.000 1.374 225 L HN 0.460 nan 8.230 nan 0.000 0.507 226 P HA 0.045 nan 4.420 nan 0.000 0.253 226 P C 1.374 178.721 177.300 0.080 0.000 1.281 226 P CA 0.048 63.146 63.100 -0.004 0.000 0.792 226 P CB 0.361 32.065 31.700 0.006 0.000 1.193 227 L N 0.459 121.721 121.223 0.064 0.000 1.910 227 L HA -0.159 4.192 4.340 0.017 0.000 0.221 227 L C 2.146 179.104 176.870 0.146 0.000 1.084 227 L CA 2.462 57.362 54.840 0.100 0.000 0.779 227 L CB -2.080 40.013 42.059 0.055 0.000 0.888 227 L HN 0.022 nan 8.230 nan 0.000 0.432 228 A N -0.656 122.231 122.820 0.112 0.000 2.248 228 A HA 0.057 4.388 4.320 0.017 0.000 0.210 228 A C 2.277 179.950 177.584 0.148 0.000 1.174 228 A CA 1.073 53.189 52.037 0.130 0.000 0.750 228 A CB -0.663 18.393 19.000 0.092 0.000 0.780 228 A HN 0.507 nan 8.150 nan 0.000 0.478 229 A N -1.488 121.410 122.820 0.130 0.000 2.076 229 A HA -0.178 4.153 4.320 0.017 0.000 0.220 229 A C 1.831 179.561 177.584 0.243 0.000 1.160 229 A CA 1.255 53.336 52.037 0.074 0.000 0.653 229 A CB -0.614 18.326 19.000 -0.100 0.000 0.801 229 A HN 0.841 nan 8.150 nan 0.000 0.455 230 W N -0.763 120.707 121.300 0.283 0.000 2.735 230 W HA 0.024 4.694 4.660 0.017 0.000 0.264 230 W C 2.232 178.800 176.519 0.082 0.000 1.233 230 W CA 0.682 58.125 57.345 0.163 0.000 1.408 230 W CB 0.298 29.758 29.460 0.000 0.000 1.038 230 W HN 0.188 nan 8.180 nan 0.000 0.603 231 V N 0.511 120.628 119.914 0.339 0.000 2.469 231 V HA -0.214 3.917 4.120 0.017 0.000 0.251 231 V C 0.579 176.781 176.094 0.179 0.000 1.064 231 V CA 2.122 64.545 62.300 0.205 0.000 1.066 231 V CB -0.933 30.977 31.823 0.145 0.000 0.667 231 V HN 0.308 nan 8.190 nan 0.000 0.461 232 E N -0.644 119.664 120.200 0.181 0.000 3.170 232 E HA 0.331 4.692 4.350 0.017 0.000 0.212 232 E C 0.960 177.649 176.600 0.149 0.000 1.143 232 E CA -0.762 55.717 56.400 0.132 0.000 1.139 232 E CB 0.874 30.625 29.700 0.084 0.000 1.346 232 E HN 0.159 nan 8.360 nan 0.000 0.432 233 K N 1.318 121.852 120.400 0.224 0.000 2.250 233 K HA -0.369 3.961 4.320 0.017 0.000 0.217 233 K C 1.118 177.794 176.600 0.127 0.000 1.010 233 K CA 2.347 58.788 56.287 0.256 0.000 0.937 233 K CB -0.675 31.965 32.500 0.233 0.000 0.892 233 K HN 0.415 nan 8.250 nan 0.000 0.481 234 E N -0.190 120.057 120.200 0.078 0.000 2.277 234 E HA -0.234 4.126 4.350 0.017 0.000 0.216 234 E C 1.683 178.277 176.600 -0.011 0.000 1.068 234 E CA 2.171 58.588 56.400 0.029 0.000 0.866 234 E CB -0.369 29.339 29.700 0.014 0.000 0.749 234 E HN 0.590 nan 8.360 nan 0.000 0.465 235 A N -1.950 120.848 122.820 -0.037 0.000 2.343 235 A HA 0.195 4.526 4.320 0.017 0.000 0.223 235 A C 1.319 178.777 177.584 -0.210 0.000 1.214 235 A CA -0.139 51.828 52.037 -0.117 0.000 0.900 235 A CB 0.096 19.012 19.000 -0.141 0.000 0.942 235 A HN 0.347 nan 8.150 nan 0.000 0.507 236 Y N -1.494 118.601 120.300 -0.340 0.000 2.500 236 Y HA 0.229 4.790 4.550 0.017 0.000 0.246 236 Y C 1.932 177.526 175.900 -0.511 0.000 1.146 236 Y CA 0.465 58.144 58.100 -0.701 0.000 1.230 236 Y CB 0.740 38.279 38.460 -1.536 0.000 1.214 236 Y HN 0.279 nan 8.280 nan 0.000 0.526 237 K N -0.046 120.360 120.400 0.010 0.000 2.353 237 K HA 0.245 4.575 4.320 0.017 0.000 0.206 237 K C -2.184 174.452 176.600 0.060 0.000 1.191 237 K CA 0.317 56.678 56.287 0.122 0.000 0.897 237 K CB -0.296 32.329 32.500 0.208 0.000 1.283 237 K HN 0.118 nan 8.250 nan 0.000 0.477 238 P HA 0.464 nan 4.420 nan 0.000 0.340 238 P C -0.981 176.304 177.300 -0.025 0.000 1.134 238 P CA -0.603 62.501 63.100 0.007 0.000 0.746 238 P CB 0.963 32.672 31.700 0.014 0.000 1.659 239 G N -0.125 108.657 108.800 -0.030 0.000 4.370 239 G HA2 0.272 4.242 3.960 0.017 0.000 0.295 239 G HA3 0.272 4.242 3.960 0.017 0.000 0.295 239 G C -0.053 174.817 174.900 -0.050 0.000 1.312 239 G CA -0.105 44.967 45.100 -0.047 0.000 0.845 239 G HN 0.229 nan 8.290 nan 0.000 0.531 240 E N 0.741 120.913 120.200 -0.047 0.000 2.538 240 E HA 0.125 4.485 4.350 0.017 0.000 0.207 240 E C 1.906 178.475 176.600 -0.053 0.000 1.002 240 E CA -0.434 55.933 56.400 -0.055 0.000 0.952 240 E CB 0.863 30.540 29.700 -0.038 0.000 1.031 240 E HN 0.647 nan 8.360 nan 0.000 0.476 241 I N 0.739 121.279 120.570 -0.049 0.000 2.567 241 I HA -0.210 3.970 4.170 0.017 0.000 0.257 241 I C 1.650 177.750 176.117 -0.029 0.000 1.184 241 I CA 0.728 62.005 61.300 -0.039 0.000 1.451 241 I CB 0.265 38.231 38.000 -0.055 0.000 1.089 241 I HN 0.037 nan 8.210 nan 0.000 0.441 242 L N 0.433 121.633 121.223 -0.039 0.000 2.558 242 L HA 0.272 4.622 4.340 0.017 0.000 0.225 242 L C 1.733 178.559 176.870 -0.073 0.000 1.128 242 L CA 1.331 56.161 54.840 -0.017 0.000 0.868 242 L CB -0.278 41.776 42.059 -0.009 0.000 1.006 242 L HN 0.199 nan 8.230 nan 0.000 0.454 243 A N -1.508 121.242 122.820 -0.117 0.000 2.469 243 A HA 0.146 4.476 4.320 0.017 0.000 0.245 243 A C 1.881 179.422 177.584 -0.072 0.000 1.221 243 A CA 0.287 52.216 52.037 -0.180 0.000 0.946 243 A CB -0.350 18.518 19.000 -0.220 0.000 1.049 243 A HN 0.374 nan 8.150 nan 0.000 0.529 244 E N 1.406 121.586 120.200 -0.034 0.000 2.209 244 E HA -0.137 4.224 4.350 0.017 0.000 0.196 244 E C 0.696 177.304 176.600 0.013 0.000 0.993 244 E CA 0.612 57.008 56.400 -0.007 0.000 0.819 244 E CB -0.567 29.133 29.700 -0.001 0.000 0.745 244 E HN 0.531 nan 8.360 nan 0.000 0.477 245 L N 0.730 121.971 121.223 0.030 0.000 2.490 245 L HA 0.166 4.517 4.340 0.017 0.000 0.274 245 L C -1.484 175.415 176.870 0.048 0.000 1.201 245 L CA -0.835 54.037 54.840 0.055 0.000 0.869 245 L CB -0.940 41.179 42.059 0.099 0.000 1.123 245 L HN -0.162 nan 8.230 nan 0.000 0.484 246 P HA -0.066 nan 4.420 nan 0.000 0.218 246 P C 0.746 178.076 177.300 0.050 0.000 1.152 246 P CA 1.149 64.271 63.100 0.037 0.000 0.826 246 P CB 0.770 32.487 31.700 0.029 0.000 0.790 247 E N -1.323 118.918 120.200 0.067 0.000 2.608 247 E HA 0.102 4.462 4.350 0.017 0.000 0.204 247 E C -1.416 175.254 176.600 0.118 0.000 0.884 247 E CA -0.044 56.402 56.400 0.077 0.000 1.533 247 E CB -0.936 28.789 29.700 0.040 0.000 1.559 247 E HN 0.146 nan 8.360 nan 0.000 0.864 248 P HA 0.003 nan 4.420 nan 0.000 0.269 248 P C 0.057 177.467 177.300 0.185 0.000 1.461 248 P CA 0.384 63.577 63.100 0.156 0.000 0.809 248 P CB -0.218 31.551 31.700 0.115 0.000 1.503 249 Y N -0.041 120.312 120.300 0.088 0.000 2.314 249 Y HA 0.034 4.595 4.550 0.017 0.000 0.294 249 Y C 2.219 178.159 175.900 0.066 0.000 1.139 249 Y CA 0.305 58.444 58.100 0.064 0.000 1.162 249 Y CB -0.338 38.146 38.460 0.040 0.000 1.121 249 Y HN -0.227 nan 8.280 nan 0.000 0.529 250 L N 0.117 121.505 121.223 0.275 0.000 2.131 250 L HA -0.158 4.193 4.340 0.017 0.000 0.210 250 L C 0.723 177.668 176.870 0.124 0.000 1.092 250 L CA 1.568 56.519 54.840 0.186 0.000 0.759 250 L CB -1.180 40.980 42.059 0.168 0.000 0.903 250 L HN 0.187 nan 8.230 nan 0.000 0.435 365 D N 1.121 121.509 120.400 -0.019 0.000 2.964 365 D HA 0.686 5.336 4.640 0.017 0.000 0.234 365 D C -0.382 175.915 176.300 -0.005 0.000 1.223 365 D CA -0.596 53.391 54.000 -0.021 0.000 0.889 365 D CB 2.191 42.977 40.800 -0.024 0.000 1.609 365 D HN 0.680 nan 8.370 nan 0.000 0.523 366 K N 1.004 121.403 120.400 -0.003 0.000 2.610 366 K HA 0.556 4.887 4.320 0.017 0.000 0.267 366 K C -1.859 174.748 176.600 0.011 0.000 0.943 366 K CA -0.870 55.422 56.287 0.009 0.000 0.862 366 K CB 1.329 33.840 32.500 0.017 0.000 1.376 366 K HN 0.306 nan 8.250 nan 0.000 0.412 367 I N 1.590 122.171 120.570 0.018 0.000 3.294 367 I HA 0.390 4.570 4.170 0.017 0.000 0.311 367 I C 0.128 176.260 176.117 0.025 0.000 1.111 367 I CA -1.319 59.994 61.300 0.021 0.000 0.976 367 I CB 2.508 40.523 38.000 0.026 0.000 1.260 367 I HN 0.656 nan 8.210 nan 0.000 0.474 368 V N 2.518 122.448 119.914 0.027 0.000 3.484 368 V HA 0.029 4.159 4.120 0.017 0.000 0.304 368 V C 1.721 177.831 176.094 0.027 0.000 1.116 368 V CA 0.751 63.067 62.300 0.027 0.000 1.187 368 V CB 0.263 32.102 31.823 0.027 0.000 1.062 368 V HN 0.985 nan 8.190 nan 0.000 0.489 369 A N 1.560 124.396 122.820 0.026 0.000 1.881 369 A HA 0.125 4.455 4.320 0.017 0.000 0.219 369 A C 1.114 178.714 177.584 0.027 0.000 1.215 369 A CA 2.362 54.414 52.037 0.024 0.000 0.648 369 A CB -0.480 18.533 19.000 0.021 0.000 0.832 369 A HN 2.076 nan 8.150 nan 0.000 0.455 370 A N -2.141 120.695 122.820 0.028 0.000 2.508 370 A HA 0.505 4.835 4.320 0.017 0.000 0.297 370 A C -0.018 177.585 177.584 0.031 0.000 1.036 370 A CA 0.086 52.141 52.037 0.031 0.000 0.957 370 A CB -0.161 18.857 19.000 0.031 0.000 1.428 370 A HN 1.219 nan 8.150 nan 0.000 0.393 371 I N -0.569 120.022 120.570 0.035 0.000 4.398 371 I HA 0.386 4.567 4.170 0.017 0.000 0.310 371 I C 0.030 176.170 176.117 0.039 0.000 1.232 371 I CA 0.246 61.567 61.300 0.034 0.000 1.312 371 I CB 0.285 38.306 38.000 0.036 0.000 1.347 371 I HN 0.412 nan 8.210 nan 0.000 0.454 372 D N 2.052 122.480 120.400 0.048 0.000 2.299 372 D HA 0.400 5.050 4.640 0.017 0.000 0.243 372 D C -2.295 174.043 176.300 0.063 0.000 0.982 372 D CA -1.683 52.349 54.000 0.055 0.000 0.924 372 D CB 2.302 43.142 40.800 0.066 0.000 1.238 372 D HN 0.032 nan 8.370 nan 0.000 0.484 373 P HA 0.151 nan 4.420 nan 0.000 0.228 373 P C -0.271 177.111 177.300 0.137 0.000 1.132 373 P CA 0.654 63.808 63.100 0.091 0.000 0.922 373 P CB 1.528 33.261 31.700 0.055 0.000 0.943 374 E N -0.476 119.802 120.200 0.130 0.000 2.431 374 E HA 0.392 4.753 4.350 0.017 0.000 0.240 374 E C -0.896 175.793 176.600 0.148 0.000 0.867 374 E CA -0.723 55.768 56.400 0.153 0.000 0.888 374 E CB -0.065 29.734 29.700 0.164 0.000 1.739 374 E HN -0.243 nan 8.360 nan 0.000 0.413 375 E N 1.775 122.080 120.200 0.175 0.000 1.932 375 E HA 0.127 4.488 4.350 0.017 0.000 0.275 375 E C -0.926 175.756 176.600 0.137 0.000 1.159 375 E CA -0.095 56.428 56.400 0.205 0.000 0.905 375 E CB -0.113 29.804 29.700 0.361 0.000 1.059 375 E HN 0.455 nan 8.360 nan 0.000 0.400 376 E N 2.017 122.285 120.200 0.115 0.000 2.435 376 E HA 0.491 4.852 4.350 0.017 0.000 0.272 376 E C -1.303 175.341 176.600 0.075 0.000 1.031 376 E CA -1.094 55.355 56.400 0.082 0.000 0.872 376 E CB 1.181 30.919 29.700 0.064 0.000 1.588 376 E HN 0.189 nan 8.360 nan 0.000 0.460 377 V N 1.470 121.410 119.914 0.043 0.000 2.540 377 V HA 0.396 4.527 4.120 0.017 0.000 0.302 377 V C -0.349 175.745 176.094 -0.000 0.000 1.035 377 V CA -0.799 61.511 62.300 0.017 0.000 0.873 377 V CB 1.422 33.237 31.823 -0.014 0.000 0.992 377 V HN 0.669 nan 8.190 nan 0.000 0.428 378 I N 5.220 125.786 120.570 -0.008 0.000 3.637 378 I HA 0.520 4.700 4.170 0.017 0.000 0.342 378 I C 1.102 177.189 176.117 -0.049 0.000 1.545 378 I CA 0.344 61.637 61.300 -0.012 0.000 1.126 378 I CB -0.512 37.504 38.000 0.027 0.000 1.375 378 I HN 0.588 nan 8.210 nan 0.000 0.467 379 A N 1.809 124.575 122.820 -0.090 0.000 1.908 379 A HA -0.044 4.287 4.320 0.017 0.000 0.218 379 A C 0.544 178.091 177.584 -0.063 0.000 1.181 379 A CA 1.393 53.365 52.037 -0.108 0.000 0.627 379 A CB -0.213 18.714 19.000 -0.122 0.000 0.818 379 A HN 0.653 nan 8.150 nan 0.000 0.445 380 E N -2.875 117.297 120.200 -0.047 0.000 2.347 380 E HA 0.508 4.868 4.350 0.017 0.000 0.285 380 E C -0.734 175.853 176.600 -0.021 0.000 0.925 380 E CA 0.127 56.510 56.400 -0.029 0.000 0.779 380 E CB 1.593 31.276 29.700 -0.029 0.000 1.233 380 E HN 0.364 nan 8.360 nan 0.000 0.414 381 A N 3.869 126.684 122.820 -0.010 0.000 2.888 381 A HA -0.092 4.238 4.320 0.017 0.000 0.290 381 A C 1.014 178.594 177.584 -0.005 0.000 1.736 381 A CA 0.791 52.827 52.037 -0.002 0.000 1.244 381 A CB -0.483 18.519 19.000 0.004 0.000 0.973 381 A HN 0.580 nan 8.150 nan 0.000 0.595 382 E N 2.763 122.957 120.200 -0.010 0.000 2.068 382 E HA 0.053 4.414 4.350 0.017 0.000 0.201 382 E C 1.186 177.785 176.600 -0.003 0.000 0.947 382 E CA 0.557 56.950 56.400 -0.011 0.000 0.909 382 E CB -0.898 28.788 29.700 -0.022 0.000 1.015 382 E HN 0.511 nan 8.360 nan 0.000 0.484 383 G N 2.569 111.369 108.800 -0.001 0.000 2.428 383 G HA2 0.385 4.355 3.960 0.017 0.000 0.290 383 G HA3 0.385 4.355 3.960 0.017 0.000 0.290 383 G C -0.131 174.782 174.900 0.022 0.000 0.996 383 G CA -0.212 44.894 45.100 0.009 0.000 1.406 383 G HN 0.082 nan 8.290 nan 0.000 0.445 384 V N 2.023 121.948 119.914 0.019 0.000 3.019 384 V HA 0.773 4.904 4.120 0.017 0.000 0.317 384 V C -0.124 175.983 176.094 0.021 0.000 1.094 384 V CA -0.901 61.416 62.300 0.028 0.000 1.000 384 V CB 2.232 34.069 31.823 0.023 0.000 1.060 384 V HN 0.674 nan 8.190 nan 0.000 0.443 385 V N 1.889 121.821 119.914 0.030 0.000 3.235 385 V HA 0.295 4.425 4.120 0.017 0.000 0.245 385 V C -1.328 174.774 176.094 0.013 0.000 1.037 385 V CA -0.388 61.910 62.300 -0.004 0.000 0.993 385 V CB 0.823 32.611 31.823 -0.060 0.000 1.003 385 V HN 1.137 nan 8.190 nan 0.000 0.506 386 H N 6.358 125.392 119.070 -0.061 0.000 2.800 386 H HA 0.804 5.371 4.556 0.017 0.000 0.291 386 H C -0.771 174.492 175.328 -0.109 0.000 1.076 386 H CA 0.607 56.622 56.048 -0.055 0.000 1.452 386 H CB 0.945 30.688 29.762 -0.032 0.000 1.461 386 H HN 0.769 nan 8.280 nan 0.000 0.488 387 L N 3.318 124.256 121.223 -0.475 0.000 2.892 387 L HA 0.213 4.563 4.340 0.017 0.000 0.269 387 L C -0.344 176.310 176.870 -0.359 0.000 1.058 387 L CA -1.400 53.102 54.840 -0.564 0.000 0.923 387 L CB 1.294 42.969 42.059 -0.641 0.000 1.518 387 L HN 0.893 nan 8.230 nan 0.000 0.402 388 H N 0.112 119.080 119.070 -0.169 0.000 2.598 388 H HA 0.225 4.791 4.556 0.017 0.000 0.396 388 H C -0.828 174.512 175.328 0.020 0.000 1.954 388 H CA -0.084 55.925 56.048 -0.066 0.000 1.449 388 H CB -0.023 29.713 29.762 -0.043 0.000 1.554 388 H HN 0.377 nan 8.280 nan 0.000 0.554 389 E N -1.025 119.351 120.200 0.294 0.000 2.373 389 E HA 0.352 4.712 4.350 0.017 0.000 0.251 389 E C -3.259 173.391 176.600 0.083 0.000 0.923 389 E CA -2.449 54.086 56.400 0.225 0.000 0.798 389 E CB 1.304 31.100 29.700 0.160 0.000 1.303 389 E HN 0.434 nan 8.360 nan 0.000 0.412 390 P HA 0.324 nan 4.420 nan 0.000 0.278 390 P C -0.643 176.676 177.300 0.031 0.000 1.238 390 P CA -0.331 62.751 63.100 -0.030 0.000 0.794 390 P CB 1.116 32.810 31.700 -0.011 0.000 0.955 391 A N 1.871 124.687 122.820 -0.006 0.000 3.150 391 A HA 0.337 4.668 4.320 0.017 0.000 0.328 391 A C 0.401 177.952 177.584 -0.055 0.000 1.104 391 A CA -0.262 51.792 52.037 0.028 0.000 0.937 391 A CB -0.499 18.554 19.000 0.088 0.000 1.073 391 A HN 0.393 nan 8.150 nan 0.000 0.497 392 S N 1.457 117.163 115.700 0.010 0.000 2.498 392 S HA 0.326 4.806 4.470 0.017 0.000 0.281 392 S C 0.119 174.727 174.600 0.014 0.000 1.265 392 S CA -0.107 58.101 58.200 0.014 0.000 1.071 392 S CB -0.418 62.821 63.200 0.065 0.000 0.894 392 S HN 0.465 nan 8.310 nan 0.000 0.491 393 I N 6.423 126.970 120.570 -0.037 0.000 2.313 393 I HA 0.287 4.467 4.170 0.017 0.000 0.286 393 I C -0.242 175.904 176.117 0.049 0.000 1.091 393 I CA -0.197 61.116 61.300 0.021 0.000 1.216 393 I CB 0.392 38.375 38.000 -0.028 0.000 1.434 393 I HN 0.418 nan 8.210 nan 0.000 0.487 394 L N 6.605 127.867 121.223 0.066 0.000 2.270 394 L HA 0.304 4.654 4.340 0.017 0.000 0.286 394 L C 0.107 176.988 176.870 0.018 0.000 1.059 394 L CA -0.614 54.256 54.840 0.051 0.000 0.839 394 L CB 1.106 43.199 42.059 0.056 0.000 1.221 394 L HN 0.321 nan 8.230 nan 0.000 0.431 395 V N 6.180 126.105 119.914 0.018 0.000 2.356 395 V HA 0.045 4.176 4.120 0.017 0.000 0.244 395 V C 0.255 176.324 176.094 -0.041 0.000 1.120 395 V CA 0.301 62.618 62.300 0.028 0.000 1.181 395 V CB -0.170 31.705 31.823 0.086 0.000 1.244 395 V HN 0.428 nan 8.190 nan 0.000 0.487 396 V N 3.969 123.856 119.914 -0.046 0.000 3.159 396 V HA 0.453 4.584 4.120 0.017 0.000 0.308 396 V C -0.187 175.865 176.094 -0.070 0.000 1.190 396 V CA -1.360 60.890 62.300 -0.083 0.000 1.037 396 V CB 2.702 34.460 31.823 -0.108 0.000 1.060 396 V HN 0.664 nan 8.190 nan 0.000 0.437 397 K N 2.068 122.404 120.400 -0.108 0.000 2.268 397 K HA 0.697 5.028 4.320 0.017 0.000 0.276 397 K C -0.309 176.236 176.600 -0.092 0.000 1.080 397 K CA -0.321 55.897 56.287 -0.115 0.000 0.910 397 K CB 1.011 33.387 32.500 -0.206 0.000 1.163 397 K HN 0.898 nan 8.250 nan 0.000 0.465 398 A N 5.835 128.625 122.820 -0.051 0.000 2.316 398 A HA 0.310 4.641 4.320 0.017 0.000 0.311 398 A C -0.395 177.182 177.584 -0.011 0.000 1.339 398 A CA -0.634 51.387 52.037 -0.026 0.000 0.960 398 A CB 0.242 19.237 19.000 -0.007 0.000 1.152 398 A HN 0.824 nan 8.150 nan 0.000 0.547 399 R N 2.003 122.500 120.500 -0.006 0.000 2.457 399 R HA 0.457 4.808 4.340 0.017 0.000 0.284 399 R C 0.310 176.643 176.300 0.055 0.000 1.024 399 R CA -0.623 55.493 56.100 0.026 0.000 1.025 399 R CB 1.432 31.748 30.300 0.027 0.000 1.063 399 R HN 0.490 nan 8.270 nan 0.000 0.493 400 V N 1.177 121.157 119.914 0.111 0.000 2.735 400 V HA 0.019 4.149 4.120 0.017 0.000 0.234 400 V C 0.156 176.357 176.094 0.180 0.000 1.121 400 V CA 0.613 63.009 62.300 0.159 0.000 1.160 400 V CB -0.123 31.860 31.823 0.266 0.000 0.908 400 V HN 0.622 nan 8.190 nan 0.000 0.495 401 Y N 1.435 121.783 120.300 0.080 0.000 2.783 401 Y HA 0.492 5.053 4.550 0.017 0.000 0.382 401 Y C -2.374 173.676 175.900 0.251 0.000 1.076 401 Y CA -3.402 54.790 58.100 0.153 0.000 1.530 401 Y CB -0.689 37.887 38.460 0.193 0.000 1.546 401 Y HN 0.299 nan 8.280 nan 0.000 0.537 402 P HA 0.014 nan 4.420 nan 0.000 0.268 402 P C -0.477 177.044 177.300 0.367 0.000 1.208 402 P CA 0.437 63.693 63.100 0.260 0.000 0.777 402 P CB 0.751 32.528 31.700 0.128 0.000 0.875 403 F N -0.059 119.925 119.950 0.055 0.000 2.661 403 F HA 0.311 4.849 4.527 0.017 0.000 0.347 403 F C 0.593 176.414 175.800 0.036 0.000 1.086 403 F CA -0.847 57.181 58.000 0.047 0.000 1.016 403 F CB 0.887 39.917 39.000 0.050 0.000 1.368 403 F HN 0.302 nan 8.300 nan 0.000 0.505 404 E N 0.806 121.102 120.200 0.159 0.000 2.167 404 E HA 0.282 4.643 4.350 0.017 0.000 0.284 404 E C -1.594 175.074 176.600 0.114 0.000 1.016 404 E CA -0.528 55.925 56.400 0.089 0.000 0.817 404 E CB 0.846 30.557 29.700 0.018 0.000 1.080 404 E HN 0.296 nan 8.360 nan 0.000 0.397 405 D N 4.182 124.634 120.400 0.087 0.000 2.454 405 D HA 0.036 4.686 4.640 0.017 0.000 0.247 405 D C -0.470 175.860 176.300 0.049 0.000 1.129 405 D CA -0.350 53.692 54.000 0.071 0.000 0.877 405 D CB 1.225 42.068 40.800 0.071 0.000 1.082 405 D HN 0.612 nan 8.370 nan 0.000 0.537 406 D N 1.328 121.752 120.400 0.040 0.000 2.358 406 D HA -0.023 4.627 4.640 0.017 0.000 0.224 406 D C 1.444 177.758 176.300 0.023 0.000 1.123 406 D CA -0.213 53.804 54.000 0.029 0.000 0.833 406 D CB 0.593 41.408 40.800 0.024 0.000 0.946 406 D HN 0.064 nan 8.370 nan 0.000 0.505 407 V N 0.659 120.587 119.914 0.024 0.000 2.223 407 V HA -0.222 3.908 4.120 0.017 0.000 0.244 407 V C 1.427 177.531 176.094 0.016 0.000 1.045 407 V CA 1.805 64.116 62.300 0.018 0.000 1.000 407 V CB -0.362 31.471 31.823 0.017 0.000 0.635 407 V HN 0.215 nan 8.190 nan 0.000 0.445 408 E N -0.945 119.265 120.200 0.017 0.000 3.837 408 E HA 0.327 4.688 4.350 0.017 0.000 0.280 408 E C -0.377 176.233 176.600 0.018 0.000 1.282 408 E CA -0.636 55.774 56.400 0.016 0.000 1.431 408 E CB 0.248 29.957 29.700 0.016 0.000 1.509 408 E HN 0.085 nan 8.360 nan 0.000 0.728 409 V N 1.930 121.855 119.914 0.018 0.000 2.572 409 V HA -0.005 4.126 4.120 0.017 0.000 0.291 409 V C -0.058 176.050 176.094 0.023 0.000 1.039 409 V CA -0.306 62.004 62.300 0.018 0.000 1.055 409 V CB 0.726 32.559 31.823 0.016 0.000 0.969 409 V HN 0.697 nan 8.190 nan 0.000 0.482 410 S N 3.492 119.205 115.700 0.021 0.000 2.973 410 S HA 0.003 4.483 4.470 0.017 0.000 0.357 410 S C 0.497 175.116 174.600 0.032 0.000 1.159 410 S CA -0.447 57.768 58.200 0.026 0.000 1.423 410 S CB -0.970 62.240 63.200 0.016 0.000 1.115 410 S HN 0.842 nan 8.310 nan 0.000 0.563 411 T N 2.869 117.450 114.554 0.045 0.000 2.732 411 T HA 0.597 4.958 4.350 0.017 0.000 0.287 411 T C 1.717 176.455 174.700 0.063 0.000 0.993 411 T CA -0.290 61.845 62.100 0.057 0.000 0.966 411 T CB 0.076 68.987 68.868 0.073 0.000 1.047 411 T HN 1.134 nan 8.240 nan 0.000 0.527 412 G N 0.964 109.809 108.800 0.076 0.000 3.284 412 G HA2 -0.300 3.670 3.960 0.017 0.000 0.351 412 G HA3 -0.300 3.670 3.960 0.017 0.000 0.351 412 G C -0.066 174.859 174.900 0.042 0.000 1.232 412 G CA 1.400 46.542 45.100 0.071 0.000 1.001 412 G HN 0.967 nan 8.290 nan 0.000 0.639 413 D N -3.108 117.313 120.400 0.035 0.000 2.893 413 D HA 0.583 5.234 4.640 0.017 0.000 0.346 413 D C -0.161 176.128 176.300 -0.020 0.000 1.402 413 D CA -0.719 53.283 54.000 0.002 0.000 0.815 413 D CB 0.491 41.288 40.800 -0.007 0.000 1.403 413 D HN 0.402 nan 8.370 nan 0.000 0.484 414 R N -0.231 120.225 120.500 -0.073 0.000 3.055 414 R HA 0.530 4.880 4.340 0.017 0.000 0.231 414 R C 1.022 177.213 176.300 -0.182 0.000 1.443 414 R CA -0.683 55.319 56.100 -0.163 0.000 1.063 414 R CB -0.281 29.915 30.300 -0.174 0.000 1.514 414 R HN 0.268 nan 8.270 nan 0.000 0.510 415 V N 0.412 120.150 119.914 -0.295 0.000 2.231 415 V HA -0.250 3.880 4.120 0.017 0.000 0.248 415 V C 1.666 177.600 176.094 -0.268 0.000 1.054 415 V CA 3.072 65.221 62.300 -0.252 0.000 1.015 415 V CB -0.614 31.077 31.823 -0.220 0.000 0.638 415 V HN 0.891 nan 8.190 nan 0.000 0.444 416 A N -2.346 120.350 122.820 -0.207 0.000 1.827 416 A HA 0.330 4.661 4.320 0.017 0.000 0.196 416 A C -0.436 177.079 177.584 -0.115 0.000 1.833 416 A CA 0.374 52.311 52.037 -0.167 0.000 1.363 416 A CB -1.132 17.765 19.000 -0.173 0.000 1.439 416 A HN 0.497 nan 8.150 nan 0.000 0.391 417 P HA 0.074 nan 4.420 nan 0.000 0.209 417 P C 1.128 178.387 177.300 -0.068 0.000 1.053 417 P CA 1.228 64.281 63.100 -0.080 0.000 0.855 417 P CB -0.633 31.018 31.700 -0.082 0.000 0.566 418 G N 0.097 108.858 108.800 -0.065 0.000 2.391 418 G HA2 0.075 4.046 3.960 0.017 0.000 0.234 418 G HA3 0.075 4.046 3.960 0.017 0.000 0.234 418 G C -0.526 174.346 174.900 -0.047 0.000 1.284 418 G CA -0.040 45.030 45.100 -0.050 0.000 0.873 418 G HN 0.226 nan 8.290 nan 0.000 0.549 419 D N 1.878 122.259 120.400 -0.032 0.000 2.438 419 D HA 0.191 4.842 4.640 0.017 0.000 0.257 419 D C 0.621 176.912 176.300 -0.015 0.000 1.148 419 D CA -0.338 53.647 54.000 -0.024 0.000 0.902 419 D CB 1.603 42.391 40.800 -0.021 0.000 1.062 419 D HN 0.090 nan 8.370 nan 0.000 0.518 420 V N 2.873 122.781 119.914 -0.011 0.000 3.350 420 V HA 0.111 4.241 4.120 0.017 0.000 0.354 420 V C 0.665 176.762 176.094 0.006 0.000 1.257 420 V CA 0.075 62.373 62.300 -0.003 0.000 1.323 420 V CB -1.234 30.588 31.823 -0.002 0.000 1.201 420 V HN 0.358 nan 8.190 nan 0.000 0.447 421 L N -1.499 119.727 121.223 0.005 0.000 2.370 421 L HA 1.035 5.386 4.340 0.017 0.000 0.266 421 L C 0.125 177.000 176.870 0.008 0.000 1.002 421 L CA -0.854 53.993 54.840 0.012 0.000 0.818 421 L CB 1.728 43.797 42.059 0.017 0.000 1.325 421 L HN 0.018 nan 8.230 nan 0.000 0.418 422 A N 1.508 124.335 122.820 0.011 0.000 2.448 422 A HA 0.312 4.643 4.320 0.017 0.000 0.239 422 A C -0.163 177.426 177.584 0.009 0.000 1.080 422 A CA -0.239 51.803 52.037 0.007 0.000 0.779 422 A CB -0.071 18.933 19.000 0.007 0.000 1.026 422 A HN 0.894 nan 8.150 nan 0.000 0.499 423 D N 0.285 120.689 120.400 0.007 0.000 2.447 423 D HA 0.344 4.994 4.640 0.017 0.000 0.265 423 D C 0.934 177.241 176.300 0.012 0.000 1.250 423 D CA 0.507 54.512 54.000 0.008 0.000 1.046 423 D CB -0.171 40.633 40.800 0.006 0.000 1.095 423 D HN 0.706 nan 8.370 nan 0.000 0.555 424 G N -1.102 107.707 108.800 0.014 0.000 2.198 424 G HA2 0.359 4.330 3.960 0.017 0.000 0.280 424 G HA3 0.359 4.330 3.960 0.017 0.000 0.280 424 G C 0.578 175.493 174.900 0.024 0.000 0.954 424 G CA 0.677 45.789 45.100 0.021 0.000 1.281 424 G HN 0.678 nan 8.290 nan 0.000 0.373 425 G N 1.637 110.453 108.800 0.026 0.000 2.403 425 G HA2 0.139 4.109 3.960 0.017 0.000 0.223 425 G HA3 0.139 4.109 3.960 0.017 0.000 0.223 425 G C -0.161 174.752 174.900 0.022 0.000 1.287 425 G CA -0.322 44.794 45.100 0.027 0.000 0.982 425 G HN 0.726 nan 8.290 nan 0.000 0.471 426 K N 0.548 120.957 120.400 0.014 0.000 2.161 426 K HA 0.322 4.652 4.320 0.017 0.000 0.260 426 K C -0.649 175.953 176.600 0.003 0.000 1.158 426 K CA 0.275 56.565 56.287 0.005 0.000 1.172 426 K CB -0.571 31.928 32.500 -0.003 0.000 0.917 426 K HN 0.509 nan 8.250 nan 0.000 0.410 427 V N 6.297 126.217 119.914 0.010 0.000 2.538 427 V HA 0.079 4.209 4.120 0.017 0.000 0.265 427 V C -0.544 175.568 176.094 0.029 0.000 0.977 427 V CA -1.001 61.309 62.300 0.017 0.000 0.852 427 V CB 0.781 32.620 31.823 0.026 0.000 1.058 427 V HN 0.705 nan 8.190 nan 0.000 0.462 428 K N 1.419 121.821 120.400 0.004 0.000 2.351 428 K HA 0.423 4.753 4.320 0.017 0.000 0.287 428 K C 0.247 176.888 176.600 0.068 0.000 1.068 428 K CA 0.001 56.293 56.287 0.009 0.000 0.998 428 K CB 0.909 33.343 32.500 -0.109 0.000 0.968 428 K HN 0.416 nan 8.250 nan 0.000 0.464 429 S N 2.549 118.326 115.700 0.129 0.000 2.354 429 S HA 0.040 4.521 4.470 0.017 0.000 0.209 429 S C 0.683 175.336 174.600 0.089 0.000 1.248 429 S CA -0.436 57.843 58.200 0.131 0.000 1.211 429 S CB 0.204 63.536 63.200 0.221 0.000 0.896 429 S HN 0.684 nan 8.310 nan 0.000 0.447 430 D N 0.537 120.917 120.400 -0.034 0.000 1.825 430 D HA 0.009 4.660 4.640 0.017 0.000 0.312 430 D C 1.706 177.795 176.300 -0.351 0.000 1.066 430 D CA 0.461 54.329 54.000 -0.219 0.000 0.826 430 D CB -0.613 39.981 40.800 -0.344 0.000 1.144 430 D HN 0.145 nan 8.370 nan 0.000 0.392 431 V N 0.140 119.599 119.914 -0.758 0.000 2.871 431 V HA -0.080 4.051 4.120 0.017 0.000 0.256 431 V C -0.171 175.665 176.094 -0.431 0.000 1.082 431 V CA 0.930 62.832 62.300 -0.663 0.000 1.105 431 V CB -0.461 31.038 31.823 -0.540 0.000 0.713 431 V HN 0.207 nan 8.190 nan 0.000 0.473 432 Y N -0.643 119.675 120.300 0.030 0.000 2.323 432 Y HA 0.725 5.285 4.550 0.017 0.000 0.331 432 Y C 0.803 176.793 175.900 0.150 0.000 1.092 432 Y CA -0.752 57.395 58.100 0.077 0.000 1.150 432 Y CB 1.037 39.517 38.460 0.032 0.000 1.200 432 Y HN -0.126 nan 8.280 nan 0.000 0.472 433 G N 3.554 112.532 108.800 0.296 0.000 4.716 433 G HA2 0.339 4.309 3.960 0.017 0.000 0.282 433 G HA3 0.339 4.309 3.960 0.017 0.000 0.282 433 G C -0.331 174.631 174.900 0.103 0.000 1.173 433 G CA -0.611 44.606 45.100 0.196 0.000 0.913 433 G HN 0.376 nan 8.290 nan 0.000 0.566 434 R N 0.485 121.040 120.500 0.091 0.000 2.510 434 R HA 0.413 4.764 4.340 0.017 0.000 0.294 434 R C -1.556 174.755 176.300 0.019 0.000 1.056 434 R CA -0.472 55.648 56.100 0.033 0.000 0.918 434 R CB 2.224 32.519 30.300 -0.007 0.000 1.187 434 R HN 0.036 nan 8.270 nan 0.000 0.437 435 V N 3.280 123.207 119.914 0.022 0.000 2.409 435 V HA 0.360 4.491 4.120 0.017 0.000 0.291 435 V C 0.043 176.143 176.094 0.011 0.000 1.020 435 V CA -0.765 61.544 62.300 0.015 0.000 0.848 435 V CB 2.048 33.888 31.823 0.028 0.000 0.990 435 V HN 0.576 nan 8.190 nan 0.000 0.430 436 E N 3.253 123.455 120.200 0.003 0.000 2.179 436 E HA 0.641 5.001 4.350 0.017 0.000 0.275 436 E C -1.100 175.505 176.600 0.009 0.000 0.945 436 E CA -0.689 55.719 56.400 0.013 0.000 0.792 436 E CB 2.612 32.322 29.700 0.017 0.000 1.125 436 E HN 0.448 nan 8.360 nan 0.000 0.397 437 V N 1.558 121.479 119.914 0.012 0.000 2.713 437 V HA 0.350 4.481 4.120 0.017 0.000 0.307 437 V C -0.455 175.643 176.094 0.006 0.000 1.052 437 V CA -0.569 61.735 62.300 0.006 0.000 0.967 437 V CB 1.698 33.524 31.823 0.005 0.000 1.019 437 V HN 0.751 nan 8.190 nan 0.000 0.459 438 D N 1.828 122.227 120.400 -0.001 0.000 2.337 438 D HA 0.275 4.926 4.640 0.017 0.000 0.238 438 D C 0.343 176.637 176.300 -0.010 0.000 1.331 438 D CA -0.400 53.598 54.000 -0.002 0.000 0.967 438 D CB 0.786 41.585 40.800 -0.002 0.000 1.382 438 D HN 0.339 nan 8.370 nan 0.000 0.549 439 L N 2.167 123.385 121.223 -0.009 0.000 2.633 439 L HA -0.005 4.346 4.340 0.017 0.000 0.235 439 L C 1.901 178.759 176.870 -0.020 0.000 1.163 439 L CA 0.073 54.904 54.840 -0.015 0.000 0.859 439 L CB -0.307 41.747 42.059 -0.008 0.000 0.973 439 L HN 0.350 nan 8.230 nan 0.000 0.451 440 V N -0.114 119.790 119.914 -0.017 0.000 2.232 440 V HA -0.215 3.916 4.120 0.017 0.000 0.237 440 V C 1.404 177.482 176.094 -0.028 0.000 1.035 440 V CA 1.507 63.794 62.300 -0.022 0.000 0.988 440 V CB -0.310 31.501 31.823 -0.019 0.000 0.636 440 V HN 0.469 nan 8.190 nan 0.000 0.456 441 R N 0.778 121.265 120.500 -0.022 0.000 2.532 441 R HA 0.225 4.575 4.340 0.017 0.000 0.295 441 R C -0.165 176.116 176.300 -0.032 0.000 0.968 441 R CA -0.642 55.444 56.100 -0.024 0.000 0.916 441 R CB 0.594 30.893 30.300 -0.002 0.000 1.124 441 R HN 0.360 nan 8.270 nan 0.000 0.463 442 N N 3.151 121.814 118.700 -0.061 0.000 2.349 442 N HA -0.002 4.748 4.740 0.017 0.000 0.296 442 N C -1.087 174.404 175.510 -0.032 0.000 1.304 442 N CA 0.461 53.468 53.050 -0.072 0.000 1.051 442 N CB 0.369 38.766 38.487 -0.150 0.000 1.466 442 N HN 0.258 nan 8.380 nan 0.000 0.487 443 V N 2.717 122.621 119.914 -0.017 0.000 2.266 443 V HA 0.051 4.181 4.120 0.017 0.000 0.266 443 V C 0.548 176.638 176.094 -0.005 0.000 1.036 443 V CA -0.708 61.590 62.300 -0.003 0.000 0.828 443 V CB 1.470 33.294 31.823 0.002 0.000 1.081 443 V HN 0.191 nan 8.190 nan 0.000 0.449 444 V N 5.512 125.424 119.914 -0.004 0.000 2.180 444 V HA 0.281 4.412 4.120 0.017 0.000 0.238 444 V C 0.988 177.076 176.094 -0.008 0.000 1.337 444 V CA -0.213 62.086 62.300 -0.002 0.000 1.338 444 V CB -0.282 31.544 31.823 0.005 0.000 1.431 444 V HN 0.800 nan 8.190 nan 0.000 0.498 445 R N 3.795 124.287 120.500 -0.013 0.000 2.566 445 R HA 0.141 4.491 4.340 0.017 0.000 0.273 445 R C -0.432 175.846 176.300 -0.037 0.000 0.981 445 R CA 0.536 56.619 56.100 -0.029 0.000 1.091 445 R CB 0.479 30.763 30.300 -0.025 0.000 0.924 445 R HN 0.497 nan 8.270 nan 0.000 0.411 446 V N 5.594 125.467 119.914 -0.068 0.000 2.380 446 V HA 0.176 4.307 4.120 0.017 0.000 0.268 446 V C -0.391 175.646 176.094 -0.095 0.000 1.008 446 V CA -0.871 61.387 62.300 -0.070 0.000 0.823 446 V CB 1.164 32.913 31.823 -0.123 0.000 1.053 446 V HN 0.608 nan 8.190 nan 0.000 0.446 447 V N 3.428 123.290 119.914 -0.088 0.000 2.775 447 V HA 0.402 4.532 4.120 0.017 0.000 0.299 447 V C 0.796 176.879 176.094 -0.019 0.000 1.062 447 V CA 0.155 62.380 62.300 -0.125 0.000 1.063 447 V CB 1.439 33.099 31.823 -0.273 0.000 0.994 447 V HN 0.907 nan 8.190 nan 0.000 0.483 448 E N 4.211 124.415 120.200 0.005 0.000 2.354 448 E HA 0.244 4.605 4.350 0.017 0.000 0.252 448 E C 0.037 176.709 176.600 0.120 0.000 1.330 448 E CA -0.057 56.410 56.400 0.113 0.000 1.658 448 E CB 0.512 30.284 29.700 0.120 0.000 1.460 448 E HN 0.665 nan 8.360 nan 0.000 0.435 449 S N -0.021 115.745 115.700 0.110 0.000 2.747 449 S HA 0.509 4.989 4.470 0.017 0.000 0.300 449 S C -1.077 173.659 174.600 0.227 0.000 1.121 449 S CA -0.448 57.830 58.200 0.131 0.000 0.995 449 S CB 0.942 64.187 63.200 0.075 0.000 1.113 449 S HN 0.310 nan 8.310 nan 0.000 0.547 450 Y N -0.210 120.112 120.300 0.037 0.000 3.159 450 Y HA 0.401 4.962 4.550 0.017 0.000 0.299 450 Y C -0.319 175.603 175.900 0.035 0.000 1.666 450 Y CA -0.830 57.286 58.100 0.028 0.000 1.049 450 Y CB 0.757 39.225 38.460 0.014 0.000 1.413 450 Y HN 0.584 nan 8.280 nan 0.000 0.576 451 D N 2.204 122.358 120.400 -0.410 0.000 2.982 451 D HA 0.072 4.723 4.640 0.017 0.000 0.238 451 D C -0.298 175.998 176.300 -0.007 0.000 1.168 451 D CA 0.427 54.265 54.000 -0.269 0.000 0.947 451 D CB -0.789 39.751 40.800 -0.435 0.000 1.147 451 D HN 0.267 nan 8.370 nan 0.000 0.450 452 I N 1.355 121.972 120.570 0.077 0.000 2.349 452 I HA -0.062 4.119 4.170 0.017 0.000 0.302 452 I C 0.238 176.402 176.117 0.078 0.000 1.180 452 I CA -0.288 61.078 61.300 0.110 0.000 1.405 452 I CB -0.092 38.004 38.000 0.159 0.000 1.474 452 I HN -0.136 nan 8.210 nan 0.000 0.632 453 D N 7.251 127.672 120.400 0.036 0.000 2.383 453 D HA 0.111 4.761 4.640 0.017 0.000 0.275 453 D C -0.466 175.822 176.300 -0.019 0.000 1.344 453 D CA 0.285 54.289 54.000 0.006 0.000 0.984 453 D CB 0.478 41.273 40.800 -0.007 0.000 1.104 453 D HN 0.589 nan 8.370 nan 0.000 0.524 454 A N 5.352 128.143 122.820 -0.049 0.000 2.291 454 A HA 0.612 4.942 4.320 0.017 0.000 0.311 454 A C -0.063 177.401 177.584 -0.199 0.000 1.224 454 A CA -0.720 51.206 52.037 -0.186 0.000 0.821 454 A CB 0.949 19.693 19.000 -0.427 0.000 1.172 454 A HN 0.551 nan 8.150 nan 0.000 0.494 455 R N 2.118 122.518 120.500 -0.168 0.000 2.837 455 R HA 0.784 5.134 4.340 0.017 0.000 0.271 455 R C -0.637 175.575 176.300 -0.146 0.000 0.993 455 R CA -0.861 55.155 56.100 -0.140 0.000 0.931 455 R CB 2.251 32.492 30.300 -0.098 0.000 1.206 455 R HN 0.811 nan 8.270 nan 0.000 0.474 456 M N -0.533 118.986 119.600 -0.134 0.000 2.664 456 M HA 0.742 5.233 4.480 0.017 0.000 0.279 456 M C -0.189 176.031 176.300 -0.133 0.000 1.275 456 M CA -0.336 54.894 55.300 -0.118 0.000 0.829 456 M CB 1.093 33.628 32.600 -0.108 0.000 1.727 456 M HN 0.714 nan 8.290 nan 0.000 0.459 457 G N 0.665 109.369 108.800 -0.159 0.000 2.757 457 G HA2 0.183 4.154 3.960 0.017 0.000 0.638 457 G HA3 0.183 4.154 3.960 0.017 0.000 0.638 457 G C 0.400 175.076 174.900 -0.373 0.000 1.344 457 G CA 0.323 45.282 45.100 -0.236 0.000 0.855 457 G HN 1.909 nan 8.290 nan 0.000 0.537 458 A N -0.553 122.017 122.820 -0.417 0.000 2.084 458 A HA -0.035 4.295 4.320 0.017 0.000 0.221 458 A C 2.068 179.497 177.584 -0.259 0.000 1.161 458 A CA 2.626 54.410 52.037 -0.421 0.000 0.653 458 A CB -0.516 18.323 19.000 -0.267 0.000 0.802 458 A HN 1.154 nan 8.150 nan 0.000 0.457 459 E N 0.061 120.144 120.200 -0.194 0.000 2.021 459 E HA -0.191 4.169 4.350 0.017 0.000 0.200 459 E C 2.183 178.708 176.600 -0.125 0.000 1.015 459 E CA 1.410 57.731 56.400 -0.133 0.000 0.824 459 E CB -0.367 29.268 29.700 -0.108 0.000 0.762 459 E HN 0.525 nan 8.360 nan 0.000 0.454 460 A N 1.010 123.751 122.820 -0.132 0.000 1.948 460 A HA -0.202 4.129 4.320 0.017 0.000 0.220 460 A C 2.110 179.635 177.584 -0.099 0.000 1.177 460 A CA 1.670 53.645 52.037 -0.104 0.000 0.636 460 A CB -0.632 18.308 19.000 -0.099 0.000 0.815 460 A HN 0.385 nan 8.150 nan 0.000 0.449 461 I N -0.124 120.357 120.570 -0.148 0.000 2.113 461 I HA -0.269 3.912 4.170 0.017 0.000 0.238 461 I C 2.627 178.698 176.117 -0.077 0.000 1.070 461 I CA 1.901 63.136 61.300 -0.108 0.000 1.332 461 I CB -1.764 36.123 38.000 -0.188 0.000 1.044 461 I HN 0.607 nan 8.210 nan 0.000 0.402 462 Q N 0.553 120.296 119.800 -0.094 0.000 2.173 462 Q HA -0.259 4.092 4.340 0.017 0.000 0.208 462 Q C 2.165 178.127 176.000 -0.064 0.000 0.989 462 Q CA 1.832 57.593 55.803 -0.070 0.000 0.872 462 Q CB 0.115 28.813 28.738 -0.067 0.000 0.909 462 Q HN 0.527 nan 8.270 nan 0.000 0.420 463 Q N 0.273 120.035 119.800 -0.064 0.000 1.990 463 Q HA -0.105 4.246 4.340 0.017 0.000 0.200 463 Q C 2.370 178.339 176.000 -0.052 0.000 0.980 463 Q CA 1.103 56.873 55.803 -0.054 0.000 0.832 463 Q CB -0.456 28.251 28.738 -0.051 0.000 0.897 463 Q HN 0.457 nan 8.270 nan 0.000 0.427 464 L N 0.512 121.707 121.223 -0.047 0.000 2.129 464 L HA -0.201 4.150 4.340 0.017 0.000 0.212 464 L C 2.428 179.269 176.870 -0.049 0.000 1.087 464 L CA 0.855 55.673 54.840 -0.037 0.000 0.757 464 L CB -0.417 41.629 42.059 -0.021 0.000 0.896 464 L HN 0.177 nan 8.230 nan 0.000 0.434 465 L N -1.028 120.155 121.223 -0.065 0.000 2.095 465 L HA -0.140 4.211 4.340 0.017 0.000 0.204 465 L C 2.696 179.484 176.870 -0.136 0.000 1.080 465 L CA 0.842 55.619 54.840 -0.105 0.000 0.759 465 L CB -0.424 41.562 42.059 -0.122 0.000 0.914 465 L HN 0.171 nan 8.230 nan 0.000 0.439 466 K N 0.729 121.061 120.400 -0.113 0.000 2.063 466 K HA -0.196 4.135 4.320 0.017 0.000 0.208 466 K C 1.332 177.880 176.600 -0.087 0.000 1.048 466 K CA 1.400 57.623 56.287 -0.106 0.000 0.928 466 K CB -0.176 32.285 32.500 -0.065 0.000 0.713 466 K HN 0.381 nan 8.250 nan 0.000 0.442 467 E N 0.744 120.905 120.200 -0.066 0.000 2.321 467 E HA 0.086 4.447 4.350 0.017 0.000 0.189 467 E C -0.182 176.387 176.600 -0.051 0.000 1.125 467 E CA -0.140 56.231 56.400 -0.049 0.000 1.005 467 E CB 0.052 29.731 29.700 -0.035 0.000 1.140 467 E HN 0.133 nan 8.360 nan 0.000 0.457 468 L N 0.651 121.829 121.223 -0.074 0.000 2.334 468 L HA 0.317 4.667 4.340 0.017 0.000 0.275 468 L C -0.097 176.731 176.870 -0.069 0.000 1.036 468 L CA -0.440 54.358 54.840 -0.071 0.000 0.807 468 L CB 1.326 43.328 42.059 -0.095 0.000 1.231 468 L HN -0.040 nan 8.230 nan 0.000 0.438 469 D N 3.227 123.600 120.400 -0.045 0.000 2.400 469 D HA 0.219 4.870 4.640 0.017 0.000 0.272 469 D C 1.140 177.428 176.300 -0.020 0.000 1.220 469 D CA -0.251 53.729 54.000 -0.034 0.000 0.897 469 D CB 1.061 41.850 40.800 -0.020 0.000 1.134 469 D HN 0.384 nan 8.370 nan 0.000 0.507 470 L N 0.953 122.160 121.223 -0.026 0.000 2.058 470 L HA -0.296 4.054 4.340 0.017 0.000 0.226 470 L C 2.187 179.066 176.870 0.015 0.000 1.089 470 L CA 1.517 56.357 54.840 0.001 0.000 0.799 470 L CB -0.441 41.624 42.059 0.009 0.000 0.900 470 L HN 0.360 nan 8.230 nan 0.000 0.442 471 E N -0.181 120.027 120.200 0.013 0.000 2.147 471 E HA -0.305 4.055 4.350 0.017 0.000 0.199 471 E C 2.213 178.824 176.600 0.019 0.000 1.005 471 E CA 1.397 57.809 56.400 0.019 0.000 0.810 471 E CB -0.171 29.538 29.700 0.016 0.000 0.736 471 E HN 0.629 nan 8.360 nan 0.000 0.460 472 A N 0.922 123.750 122.820 0.014 0.000 1.855 472 A HA -0.108 4.223 4.320 0.017 0.000 0.213 472 A C 2.111 179.706 177.584 0.019 0.000 1.195 472 A CA 0.785 52.831 52.037 0.015 0.000 0.610 472 A CB -0.504 18.501 19.000 0.009 0.000 0.837 472 A HN 0.229 nan 8.150 nan 0.000 0.444 473 L N 0.345 121.579 121.223 0.018 0.000 2.191 473 L HA -0.125 4.226 4.340 0.017 0.000 0.212 473 L C 2.154 179.041 176.870 0.028 0.000 1.103 473 L CA 2.534 57.388 54.840 0.023 0.000 0.769 473 L CB -0.536 41.537 42.059 0.022 0.000 0.908 473 L HN 0.633 nan 8.230 nan 0.000 0.438 474 E N -0.480 119.739 120.200 0.030 0.000 2.015 474 E HA -0.252 4.108 4.350 0.017 0.000 0.191 474 E C 2.158 178.776 176.600 0.030 0.000 0.991 474 E CA 1.250 57.670 56.400 0.033 0.000 0.802 474 E CB -0.077 29.645 29.700 0.036 0.000 0.759 474 E HN 0.484 nan 8.360 nan 0.000 0.447 475 K N 0.338 120.756 120.400 0.030 0.000 2.097 475 K HA -0.201 4.129 4.320 0.017 0.000 0.206 475 K C 2.204 178.825 176.600 0.036 0.000 1.049 475 K CA 1.437 57.743 56.287 0.033 0.000 0.933 475 K CB -0.097 32.422 32.500 0.032 0.000 0.717 475 K HN 0.175 nan 8.250 nan 0.000 0.442 476 E N 0.924 121.144 120.200 0.032 0.000 2.085 476 E HA -0.187 4.173 4.350 0.017 0.000 0.194 476 E C 1.752 178.373 176.600 0.035 0.000 0.994 476 E CA 1.043 57.464 56.400 0.035 0.000 0.801 476 E CB 0.031 29.748 29.700 0.028 0.000 0.743 476 E HN 0.225 nan 8.360 nan 0.000 0.453 477 L N 0.311 121.551 121.223 0.028 0.000 2.313 477 L HA -0.056 4.295 4.340 0.017 0.000 0.214 477 L C 2.325 179.199 176.870 0.008 0.000 1.119 477 L CA 0.150 55.002 54.840 0.019 0.000 0.809 477 L CB -0.147 41.923 42.059 0.018 0.000 0.933 477 L HN 0.238 nan 8.230 nan 0.000 0.449 478 L N -0.403 120.829 121.223 0.015 0.000 2.079 478 L HA -0.201 4.150 4.340 0.017 0.000 0.210 478 L C 2.697 179.557 176.870 -0.016 0.000 1.081 478 L CA 1.196 56.038 54.840 0.002 0.000 0.752 478 L CB -0.279 41.796 42.059 0.025 0.000 0.896 478 L HN 0.325 nan 8.230 nan 0.000 0.433 479 E N -0.408 119.822 120.200 0.050 0.000 2.033 479 E HA -0.222 4.139 4.350 0.017 0.000 0.189 479 E C 1.939 178.595 176.600 0.093 0.000 0.979 479 E CA 0.797 57.290 56.400 0.154 0.000 0.802 479 E CB -0.210 29.595 29.700 0.175 0.000 0.763 479 E HN 0.305 nan 8.360 nan 0.000 0.449 480 E N 1.392 121.625 120.200 0.057 0.000 2.169 480 E HA -0.215 4.145 4.350 0.017 0.000 0.202 480 E C 1.933 178.529 176.600 -0.007 0.000 1.016 480 E CA 1.349 57.770 56.400 0.035 0.000 0.817 480 E CB -0.228 29.488 29.700 0.025 0.000 0.736 480 E HN 0.213 nan 8.360 nan 0.000 0.462 481 M N -0.018 119.551 119.600 -0.051 0.000 2.153 481 M HA -0.134 4.356 4.480 0.017 0.000 0.257 481 M C 2.265 178.469 176.300 -0.160 0.000 1.107 481 M CA 1.921 57.171 55.300 -0.083 0.000 1.109 481 M CB -0.348 32.208 32.600 -0.074 0.000 1.240 481 M HN 0.001 nan 8.290 nan 0.000 0.436 482 K N -1.013 119.202 120.400 -0.308 0.000 2.362 482 K HA -0.218 4.113 4.320 0.017 0.000 0.202 482 K C 1.450 177.771 176.600 -0.466 0.000 1.045 482 K CA 1.682 57.709 56.287 -0.434 0.000 0.936 482 K CB -0.027 32.144 32.500 -0.549 0.000 0.747 482 K HN 0.612 nan 8.250 nan 0.000 0.467 483 H N -1.514 117.561 119.070 0.008 0.000 2.373 483 H HA 0.209 4.776 4.556 0.018 0.000 0.290 483 H C -1.342 173.989 175.328 0.005 0.000 0.989 483 H CA -0.391 55.660 56.048 0.006 0.000 1.250 483 H CB -1.520 28.246 29.762 0.006 0.000 1.477 483 H HN 0.110 nan 8.280 nan 0.000 0.551 484 P HA -0.046 nan 4.420 nan 0.000 0.272 484 P C 0.308 177.628 177.300 0.034 0.000 1.243 484 P CA 0.262 63.399 63.100 0.061 0.000 0.803 484 P CB 0.429 32.155 31.700 0.044 0.000 0.974 485 S N 0.358 116.073 115.700 0.026 0.000 2.589 485 S HA 0.092 4.572 4.470 0.017 0.000 0.265 485 S C 1.292 175.897 174.600 0.008 0.000 1.342 485 S CA -0.499 57.711 58.200 0.016 0.000 1.005 485 S CB 0.413 63.621 63.200 0.013 0.000 0.909 485 S HN 0.245 nan 8.310 nan 0.000 0.555 486 R N 1.217 121.719 120.500 0.004 0.000 2.154 486 R HA -0.194 4.157 4.340 0.017 0.000 0.248 486 R C 2.415 178.715 176.300 0.001 0.000 1.155 486 R CA 1.542 57.642 56.100 -0.000 0.000 0.979 486 R CB -1.953 28.346 30.300 -0.001 0.000 0.869 486 R HN 0.831 nan 8.270 nan 0.000 0.452 487 A N 2.109 124.931 122.820 0.004 0.000 1.836 487 A HA -0.189 4.141 4.320 0.017 0.000 0.215 487 A C 2.053 179.640 177.584 0.005 0.000 1.214 487 A CA 1.513 53.553 52.037 0.004 0.000 0.636 487 A CB -0.488 18.516 19.000 0.006 0.000 0.847 487 A HN 0.269 nan 8.150 nan 0.000 0.451 488 R N -0.095 120.409 120.500 0.008 0.000 2.323 488 R HA -0.016 4.334 4.340 0.017 0.000 0.198 488 R C 1.922 178.226 176.300 0.007 0.000 0.988 488 R CA 0.986 57.091 56.100 0.009 0.000 1.041 488 R CB -0.190 30.119 30.300 0.014 0.000 0.926 488 R HN 0.807 nan 8.270 nan 0.000 0.476 489 R N -0.284 120.217 120.500 0.002 0.000 2.237 489 R HA 0.234 4.585 4.340 0.017 0.000 0.195 489 R C 1.883 178.179 176.300 -0.007 0.000 0.956 489 R CA 0.762 56.858 56.100 -0.006 0.000 1.029 489 R CB -0.079 30.212 30.300 -0.014 0.000 0.972 489 R HN -0.004 nan 8.270 nan 0.000 0.493 490 A N 3.140 125.958 122.820 -0.004 0.000 1.877 490 A HA -0.179 4.151 4.320 0.017 0.000 0.216 490 A C 2.186 179.769 177.584 -0.002 0.000 1.186 490 A CA 1.660 53.695 52.037 -0.003 0.000 0.620 490 A CB -0.448 18.551 19.000 -0.002 0.000 0.822 490 A HN 0.352 nan 8.150 nan 0.000 0.443 491 K N 0.503 120.903 120.400 0.000 0.000 2.057 491 K HA -0.052 4.278 4.320 0.017 0.000 0.207 491 K C 1.992 178.593 176.600 0.003 0.000 1.049 491 K CA 1.749 58.037 56.287 0.001 0.000 0.931 491 K CB -0.809 31.693 32.500 0.004 0.000 0.714 491 K HN 0.302 nan 8.250 nan 0.000 0.440 492 A N 1.901 124.723 122.820 0.004 0.000 2.042 492 A HA -0.207 4.123 4.320 0.017 0.000 0.222 492 A C 2.317 179.903 177.584 0.003 0.000 1.167 492 A CA 1.877 53.917 52.037 0.005 0.000 0.649 492 A CB -0.592 18.410 19.000 0.003 0.000 0.809 492 A HN 0.556 nan 8.150 nan 0.000 0.457 493 R N -0.426 120.073 120.500 -0.001 0.000 2.066 493 R HA 0.007 4.358 4.340 0.017 0.000 0.224 493 R C 1.928 178.228 176.300 -0.000 0.000 1.122 493 R CA 1.219 57.319 56.100 -0.001 0.000 0.974 493 R CB -0.229 30.070 30.300 -0.002 0.000 0.871 493 R HN 0.424 nan 8.270 nan 0.000 0.435 494 K N 0.136 120.535 120.400 -0.002 0.000 2.360 494 K HA -0.163 4.168 4.320 0.017 0.000 0.201 494 K C 2.099 178.694 176.600 -0.007 0.000 1.046 494 K CA 1.006 57.289 56.287 -0.007 0.000 0.945 494 K CB -0.022 32.472 32.500 -0.009 0.000 0.750 494 K HN 0.166 nan 8.250 nan 0.000 0.464 495 R N 0.653 121.155 120.500 0.002 0.000 2.140 495 R HA -0.022 4.329 4.340 0.017 0.000 0.213 495 R C 2.088 178.398 176.300 0.018 0.000 1.059 495 R CA 0.451 56.559 56.100 0.013 0.000 1.000 495 R CB 0.059 30.370 30.300 0.018 0.000 0.910 495 R HN 0.075 nan 8.270 nan 0.000 0.455 496 L N 1.326 122.557 121.223 0.013 0.000 2.270 496 L HA 0.054 4.404 4.340 0.017 0.000 0.210 496 L C 1.588 178.462 176.870 0.007 0.000 1.104 496 L CA 1.512 56.362 54.840 0.018 0.000 0.804 496 L CB -0.067 42.001 42.059 0.015 0.000 0.937 496 L HN 0.133 nan 8.230 nan 0.000 0.450 497 E N -0.736 119.460 120.200 -0.007 0.000 2.038 497 E HA -0.263 4.098 4.350 0.017 0.000 0.195 497 E C 2.216 178.779 176.600 -0.061 0.000 1.000 497 E CA 1.804 58.188 56.400 -0.026 0.000 0.803 497 E CB -0.533 29.150 29.700 -0.029 0.000 0.750 497 E HN 0.457 nan 8.360 nan 0.000 0.448 498 V N 1.024 120.891 119.914 -0.079 0.000 2.237 498 V HA -0.228 3.902 4.120 0.017 0.000 0.245 498 V C 2.328 178.341 176.094 -0.134 0.000 1.046 498 V CA 1.720 63.913 62.300 -0.177 0.000 1.007 498 V CB -0.284 31.448 31.823 -0.152 0.000 0.638 498 V HN 0.108 nan 8.190 nan 0.000 0.445 499 V N 1.095 121.036 119.914 0.045 0.000 2.277 499 V HA -0.335 3.796 4.120 0.017 0.000 0.253 499 V C 2.857 179.029 176.094 0.130 0.000 1.067 499 V CA 2.747 65.153 62.300 0.176 0.000 1.047 499 V CB -1.120 30.773 31.823 0.116 0.000 0.649 499 V HN 0.522 nan 8.190 nan 0.000 0.447 500 R N -0.081 120.446 120.500 0.046 0.000 2.080 500 R HA -0.140 4.210 4.340 0.017 0.000 0.236 500 R C 2.501 178.814 176.300 0.022 0.000 1.137 500 R CA 1.707 57.828 56.100 0.035 0.000 0.943 500 R CB -1.187 29.121 30.300 0.013 0.000 0.846 500 R HN 0.557 nan 8.270 nan 0.000 0.431 501 A N 1.072 123.859 122.820 -0.055 0.000 1.884 501 A HA -0.220 4.111 4.320 0.017 0.000 0.219 501 A C 2.194 179.773 177.584 -0.008 0.000 1.197 501 A CA 1.656 53.637 52.037 -0.094 0.000 0.637 501 A CB -1.025 17.835 19.000 -0.233 0.000 0.827 501 A HN 0.272 nan 8.150 nan 0.000 0.450 502 F N -0.682 119.267 119.950 -0.001 0.000 1.993 502 F HA -0.237 4.301 4.527 0.018 0.000 0.297 502 F C 2.260 178.063 175.800 0.005 0.000 1.177 502 F CA 1.401 59.401 58.000 -0.000 0.000 1.182 502 F CB -0.598 38.391 39.000 -0.018 0.000 0.958 502 F HN 0.131 nan 8.300 nan 0.000 0.496 503 L N -0.130 121.235 121.223 0.237 0.000 2.386 503 L HA -0.269 4.081 4.340 0.017 0.000 0.220 503 L C 1.398 178.324 176.870 0.092 0.000 1.115 503 L CA 0.675 55.588 54.840 0.122 0.000 0.780 503 L CB -0.521 41.593 42.059 0.092 0.000 0.902 503 L HN 0.282 nan 8.230 nan 0.000 0.442 504 D N -1.554 118.899 120.400 0.089 0.000 2.249 504 D HA -0.112 4.538 4.640 0.017 0.000 0.269 504 D C 1.143 177.486 176.300 0.071 0.000 1.220 504 D CA 0.547 54.584 54.000 0.062 0.000 1.016 504 D CB 1.075 41.898 40.800 0.038 0.000 1.133 504 D HN -0.104 nan 8.370 nan 0.000 0.533 505 S N -1.273 114.462 115.700 0.058 0.000 2.595 505 S HA 0.047 4.527 4.470 0.017 0.000 0.235 505 S C 1.077 175.728 174.600 0.084 0.000 0.974 505 S CA 0.778 59.017 58.200 0.064 0.000 0.942 505 S CB -0.772 62.458 63.200 0.049 0.000 0.766 505 S HN 0.442 nan 8.310 nan 0.000 0.536 506 G N 1.158 110.019 108.800 0.101 0.000 2.447 506 G HA2 0.152 4.122 3.960 0.017 0.000 0.269 506 G HA3 0.152 4.122 3.960 0.017 0.000 0.269 506 G C -0.409 174.599 174.900 0.180 0.000 1.455 506 G CA -0.610 44.572 45.100 0.137 0.000 1.061 506 G HN 0.596 nan 8.290 nan 0.000 0.545 507 N N -0.356 118.493 118.700 0.249 0.000 2.446 507 N HA 0.315 5.065 4.740 0.017 0.000 0.265 507 N C -0.456 175.217 175.510 0.271 0.000 0.975 507 N CA -0.617 52.629 53.050 0.327 0.000 0.928 507 N CB 1.889 40.627 38.487 0.417 0.000 1.160 507 N HN 0.270 nan 8.380 nan 0.000 0.495 508 R N 3.159 123.767 120.500 0.180 0.000 2.614 508 R HA -0.044 4.306 4.340 0.017 0.000 0.335 508 R C -1.560 174.277 176.300 -0.771 0.000 0.859 508 R CA -0.655 55.345 56.100 -0.167 0.000 1.123 508 R CB 0.316 30.565 30.300 -0.085 0.000 0.887 508 R HN 0.433 nan 8.270 nan 0.000 0.407 509 P HA -0.136 nan 4.420 nan 0.000 0.272 509 P C -0.636 176.103 177.300 -0.936 0.000 1.424 509 P CA 0.788 63.201 63.100 -1.145 0.000 0.786 509 P CB 0.229 30.632 31.700 -2.161 0.000 1.661 510 E N -1.398 118.020 120.200 -1.304 0.000 2.431 510 E HA 0.028 4.388 4.350 0.017 0.000 0.200 510 E C 1.134 177.512 176.600 -0.370 0.000 0.995 510 E CA 0.438 56.323 56.400 -0.858 0.000 0.915 510 E CB -0.347 28.753 29.700 -0.999 0.000 0.930 510 E HN 0.514 nan 8.360 nan 0.000 0.496 511 W N 0.165 121.434 121.300 -0.051 0.000 3.180 511 W HA 0.143 4.813 4.660 0.017 0.000 0.254 511 W C 1.350 177.853 176.519 -0.026 0.000 1.318 511 W CA -0.237 57.086 57.345 -0.036 0.000 1.608 511 W CB -0.280 29.172 29.460 -0.014 0.000 1.124 511 W HN -0.030 nan 8.180 nan 0.000 0.694 512 M N 0.924 120.595 119.600 0.118 0.000 2.549 512 M HA -0.008 4.483 4.480 0.017 0.000 0.260 512 M C 0.670 176.955 176.300 -0.025 0.000 1.076 512 M CA 1.122 56.461 55.300 0.064 0.000 1.090 512 M CB -0.670 32.099 32.600 0.282 0.000 1.418 512 M HN 0.011 nan 8.290 nan 0.000 0.486 513 I N -0.772 119.813 120.570 0.025 0.000 2.664 513 I HA 0.379 4.560 4.170 0.017 0.000 0.308 513 I C -0.392 175.711 176.117 -0.024 0.000 0.984 513 I CA -0.857 60.447 61.300 0.008 0.000 1.213 513 I CB 1.053 39.056 38.000 0.005 0.000 1.379 513 I HN -0.080 nan 8.210 nan 0.000 0.501 514 L N 2.706 123.901 121.223 -0.047 0.000 2.322 514 L HA 0.395 4.746 4.340 0.017 0.000 0.281 514 L C 0.324 177.157 176.870 -0.063 0.000 1.014 514 L CA -0.024 54.770 54.840 -0.077 0.000 0.815 514 L CB 1.733 43.730 42.059 -0.102 0.000 1.247 514 L HN 0.906 nan 8.230 nan 0.000 0.421 515 E N 2.466 122.625 120.200 -0.070 0.000 2.753 515 E HA 0.409 4.769 4.350 0.017 0.000 0.218 515 E C -0.485 176.075 176.600 -0.066 0.000 0.956 515 E CA -0.285 56.079 56.400 -0.060 0.000 1.244 515 E CB 1.209 30.877 29.700 -0.054 0.000 1.114 515 E HN 0.446 nan 8.360 nan 0.000 0.530 516 A N 1.042 123.811 122.820 -0.086 0.000 2.538 516 A HA 0.429 4.759 4.320 0.017 0.000 0.293 516 A C -1.019 176.511 177.584 -0.090 0.000 1.065 516 A CA -0.566 51.424 52.037 -0.079 0.000 0.936 516 A CB 1.125 20.027 19.000 -0.163 0.000 1.481 516 A HN 0.073 nan 8.150 nan 0.000 0.394 517 V N 4.002 123.901 119.914 -0.024 0.000 2.408 517 V HA 0.299 4.430 4.120 0.017 0.000 0.267 517 V C -1.920 174.205 176.094 0.051 0.000 1.047 517 V CA -1.224 61.071 62.300 -0.007 0.000 0.937 517 V CB 0.744 32.589 31.823 0.037 0.000 0.999 517 V HN 0.731 nan 8.190 nan 0.000 0.472 518 P HA 0.154 nan 4.420 nan 0.000 0.272 518 P C -0.755 176.633 177.300 0.147 0.000 1.248 518 P CA -0.084 63.097 63.100 0.134 0.000 0.799 518 P CB 0.508 32.365 31.700 0.261 0.000 0.997 519 V N 1.298 121.294 119.914 0.137 0.000 2.462 519 V HA 0.141 4.271 4.120 0.017 0.000 0.288 519 V C -0.031 176.115 176.094 0.088 0.000 1.020 519 V CA -0.830 61.488 62.300 0.030 0.000 0.857 519 V CB 1.293 33.041 31.823 -0.126 0.000 1.013 519 V HN 0.411 nan 8.190 nan 0.000 0.431 520 L N 8.676 129.973 121.223 0.124 0.000 2.605 520 L HA 0.153 4.504 4.340 0.017 0.000 0.296 520 L C -1.996 174.861 176.870 -0.022 0.000 1.255 520 L CA 0.199 55.092 54.840 0.089 0.000 0.879 520 L CB 0.134 42.272 42.059 0.132 0.000 1.124 520 L HN 0.405 nan 8.230 nan 0.000 0.507 521 P HA 0.031 nan 4.420 nan 0.000 0.272 521 P C -2.298 174.801 177.300 -0.335 0.000 1.243 521 P CA -0.498 62.550 63.100 -0.086 0.000 0.803 521 P CB 0.054 31.767 31.700 0.022 0.000 0.974 522 P HA -0.042 nan 4.420 nan 0.000 0.214 522 P C 0.613 177.772 177.300 -0.236 0.000 1.163 522 P CA 1.254 64.001 63.100 -0.587 0.000 0.881 522 P CB -0.081 31.243 31.700 -0.627 0.000 0.775 523 D N -0.855 119.479 120.400 -0.111 0.000 2.384 523 D HA -0.059 4.591 4.640 0.017 0.000 0.222 523 D C 1.033 177.328 176.300 -0.009 0.000 0.976 523 D CA 0.778 54.763 54.000 -0.025 0.000 0.915 523 D CB -0.515 40.271 40.800 -0.024 0.000 0.896 523 D HN 0.175 nan 8.370 nan 0.000 0.523 524 L N 0.248 121.453 121.223 -0.030 0.000 2.783 524 L HA 0.271 4.621 4.340 0.017 0.000 0.236 524 L C 0.224 177.094 176.870 -0.000 0.000 1.225 524 L CA -0.039 54.805 54.840 0.006 0.000 1.026 524 L CB -0.099 41.975 42.059 0.025 0.000 1.314 524 L HN 0.021 nan 8.230 nan 0.000 0.489 525 R N -2.319 118.176 120.500 -0.008 0.000 2.487 525 R HA 0.207 4.558 4.340 0.017 0.000 0.159 525 R C -3.037 173.308 176.300 0.075 0.000 1.227 525 R CA -0.986 55.126 56.100 0.019 0.000 0.887 525 R CB -1.208 29.083 30.300 -0.015 0.000 1.348 525 R HN -0.145 nan 8.270 nan 0.000 0.623 526 P HA -0.103 nan 4.420 nan 0.000 0.269 526 P C -0.379 177.056 177.300 0.226 0.000 1.200 526 P CA 0.014 63.220 63.100 0.177 0.000 0.779 526 P CB 0.432 32.198 31.700 0.109 0.000 0.841 527 M N 2.461 122.177 119.600 0.192 0.000 2.488 527 M HA 0.216 4.706 4.480 0.017 0.000 0.204 527 M C -1.453 174.926 176.300 0.132 0.000 0.969 527 M CA -0.600 54.735 55.300 0.059 0.000 0.720 527 M CB -0.293 32.123 32.600 -0.306 0.000 1.427 527 M HN -0.097 nan 8.290 nan 0.000 0.427 528 V N 0.626 120.637 119.914 0.161 0.000 3.133 528 V HA 0.375 4.505 4.120 0.017 0.000 0.305 528 V C 0.632 176.817 176.094 0.152 0.000 1.084 528 V CA -0.845 61.541 62.300 0.143 0.000 1.089 528 V CB 0.753 32.627 31.823 0.086 0.000 1.073 528 V HN 0.497 nan 8.190 nan 0.000 0.477 529 Q N 0.659 120.475 119.800 0.027 0.000 2.267 529 Q HA 0.432 4.783 4.340 0.017 0.000 0.255 529 Q C -0.026 175.919 176.000 -0.091 0.000 0.923 529 Q CA -0.140 55.588 55.803 -0.126 0.000 0.925 529 Q CB 1.947 30.615 28.738 -0.116 0.000 1.195 529 Q HN 0.663 nan 8.270 nan 0.000 0.417 530 V N 0.932 120.765 119.914 -0.135 0.000 4.590 530 V HA 0.150 4.280 4.120 0.017 0.000 0.180 530 V C -0.135 175.910 176.094 -0.082 0.000 1.032 530 V CA 0.023 62.279 62.300 -0.072 0.000 1.463 530 V CB 0.280 32.078 31.823 -0.040 0.000 2.093 530 V HN 0.595 nan 8.190 nan 0.000 0.413 531 D N 0.764 121.116 120.400 -0.080 0.000 2.505 531 D HA 0.500 5.151 4.640 0.017 0.000 0.242 531 D C 0.656 176.900 176.300 -0.094 0.000 1.136 531 D CA 1.049 55.008 54.000 -0.070 0.000 0.954 531 D CB 0.469 41.242 40.800 -0.044 0.000 1.002 531 D HN 0.696 nan 8.370 nan 0.000 0.512 532 G N 2.142 110.872 108.800 -0.117 0.000 2.556 532 G HA2 -0.379 3.591 3.960 0.017 0.000 0.283 532 G HA3 -0.379 3.591 3.960 0.017 0.000 0.283 532 G C 1.307 176.085 174.900 -0.202 0.000 1.177 532 G CA 0.241 45.261 45.100 -0.133 0.000 0.978 532 G HN 0.554 nan 8.290 nan 0.000 0.554 533 G N 0.573 109.276 108.800 -0.161 0.000 2.626 533 G HA2 -0.185 3.785 3.960 0.017 0.000 0.224 533 G HA3 -0.185 3.785 3.960 0.017 0.000 0.224 533 G C 1.009 175.781 174.900 -0.213 0.000 1.095 533 G CA 1.557 46.552 45.100 -0.175 0.000 0.738 533 G HN 0.842 nan 8.290 nan 0.000 0.600 534 R N -0.218 120.182 120.500 -0.167 0.000 2.421 534 R HA 0.304 4.655 4.340 0.017 0.000 0.305 534 R C -0.798 175.399 176.300 -0.172 0.000 1.039 534 R CA -0.216 55.823 56.100 -0.101 0.000 1.003 534 R CB 0.234 30.502 30.300 -0.052 0.000 0.959 534 R HN 0.198 nan 8.270 nan 0.000 0.427 535 F N 0.816 120.759 119.950 -0.010 0.000 2.399 535 F HA 0.480 5.017 4.527 0.017 0.000 0.328 535 F C 0.491 176.290 175.800 -0.003 0.000 1.084 535 F CA -0.585 57.408 58.000 -0.012 0.000 1.053 535 F CB 1.666 40.655 39.000 -0.020 0.000 1.209 535 F HN 0.445 nan 8.300 nan 0.000 0.502 536 A N 1.952 124.919 122.820 0.246 0.000 2.311 536 A HA 0.621 4.951 4.320 0.017 0.000 0.306 536 A C -0.746 176.918 177.584 0.134 0.000 1.189 536 A CA -0.448 51.674 52.037 0.143 0.000 0.791 536 A CB 1.207 20.265 19.000 0.096 0.000 1.172 536 A HN 0.610 nan 8.150 nan 0.000 0.481 537 T N 1.645 116.264 114.554 0.109 0.000 2.921 537 T HA 0.519 4.880 4.350 0.017 0.000 0.297 537 T C 0.246 175.004 174.700 0.097 0.000 1.013 537 T CA -0.213 61.952 62.100 0.109 0.000 0.990 537 T CB 0.726 69.650 68.868 0.092 0.000 1.023 537 T HN 0.704 nan 8.240 nan 0.000 0.447 538 S N 2.992 118.754 115.700 0.104 0.000 2.553 538 S HA 0.004 4.485 4.470 0.017 0.000 0.271 538 S C 0.851 175.493 174.600 0.070 0.000 1.362 538 S CA -0.352 57.896 58.200 0.080 0.000 1.010 538 S CB 0.244 63.489 63.200 0.076 0.000 0.865 538 S HN 0.737 nan 8.310 nan 0.000 0.543 539 D N 0.296 120.726 120.400 0.050 0.000 2.336 539 D HA 0.128 4.779 4.640 0.017 0.000 0.229 539 D C 1.072 177.382 176.300 0.017 0.000 1.061 539 D CA 0.340 54.362 54.000 0.036 0.000 0.875 539 D CB -0.021 40.796 40.800 0.028 0.000 0.904 539 D HN 0.325 nan 8.370 nan 0.000 0.525 540 L N -0.173 121.065 121.223 0.025 0.000 2.515 540 L HA 0.114 4.465 4.340 0.017 0.000 0.223 540 L C 1.957 178.861 176.870 0.058 0.000 1.079 540 L CA 0.037 54.859 54.840 -0.030 0.000 0.857 540 L CB 0.269 42.304 42.059 -0.040 0.000 1.050 540 L HN -0.104 nan 8.230 nan 0.000 0.476 541 N N 0.268 119.060 118.700 0.154 0.000 2.289 541 N HA -0.212 4.539 4.740 0.017 0.000 0.184 541 N C 0.924 176.550 175.510 0.192 0.000 1.016 541 N CA 1.474 54.666 53.050 0.235 0.000 0.872 541 N CB 0.167 38.792 38.487 0.231 0.000 0.973 541 N HN 0.324 nan 8.380 nan 0.000 0.433 542 D N 0.338 120.803 120.400 0.109 0.000 2.249 542 D HA 0.103 4.754 4.640 0.017 0.000 0.205 542 D C 1.858 178.188 176.300 0.050 0.000 0.962 542 D CA 0.161 54.208 54.000 0.078 0.000 0.860 542 D CB 0.210 41.042 40.800 0.052 0.000 0.955 542 D HN 0.107 nan 8.370 nan 0.000 0.505 543 L N -0.178 121.037 121.223 -0.014 0.000 2.552 543 L HA -0.074 4.277 4.340 0.017 0.000 0.227 543 L C 1.133 177.945 176.870 -0.095 0.000 1.146 543 L CA 0.412 55.199 54.840 -0.089 0.000 0.858 543 L CB -0.013 41.935 42.059 -0.186 0.000 0.969 543 L HN 0.172 nan 8.230 nan 0.000 0.451 544 Y N -0.615 119.694 120.300 0.015 0.000 2.284 544 Y HA 0.026 4.586 4.550 0.017 0.000 0.293 544 Y C 2.580 178.490 175.900 0.016 0.000 1.140 544 Y CA 0.352 58.458 58.100 0.009 0.000 1.153 544 Y CB -0.307 38.150 38.460 -0.005 0.000 1.114 544 Y HN -0.106 nan 8.280 nan 0.000 0.521 545 R N 0.236 120.857 120.500 0.202 0.000 2.140 545 R HA -0.228 4.123 4.340 0.017 0.000 0.250 545 R C 2.188 178.542 176.300 0.090 0.000 1.150 545 R CA 1.478 57.648 56.100 0.117 0.000 0.966 545 R CB -0.350 30.006 30.300 0.093 0.000 0.869 545 R HN 0.245 nan 8.270 nan 0.000 0.445 546 R N 0.887 121.436 120.500 0.081 0.000 2.171 546 R HA -0.226 4.124 4.340 0.017 0.000 0.232 546 R C 2.332 178.668 176.300 0.060 0.000 1.116 546 R CA 1.657 57.791 56.100 0.057 0.000 0.901 546 R CB -1.286 29.038 30.300 0.040 0.000 0.850 546 R HN 0.203 nan 8.270 nan 0.000 0.431 547 L N 1.194 122.461 121.223 0.073 0.000 1.934 547 L HA -0.247 4.103 4.340 0.017 0.000 0.227 547 L C 2.354 179.261 176.870 0.062 0.000 1.084 547 L CA 1.889 56.772 54.840 0.072 0.000 0.790 547 L CB -0.892 41.231 42.059 0.107 0.000 0.896 547 L HN 0.175 nan 8.230 nan 0.000 0.437 548 I N -0.041 120.575 120.570 0.076 0.000 2.345 548 I HA -0.501 3.679 4.170 0.017 0.000 0.228 548 I C 2.353 178.490 176.117 0.034 0.000 0.960 548 I CA 2.467 63.796 61.300 0.047 0.000 1.262 548 I CB -1.818 36.211 38.000 0.048 0.000 0.969 548 I HN 0.539 nan 8.210 nan 0.000 0.385 549 N N -0.124 118.599 118.700 0.037 0.000 2.027 549 N HA -0.251 4.500 4.740 0.017 0.000 0.200 549 N C 1.882 177.406 175.510 0.023 0.000 1.042 549 N CA 1.904 54.971 53.050 0.028 0.000 0.871 549 N CB -0.050 38.456 38.487 0.031 0.000 1.063 549 N HN 0.310 nan 8.380 nan 0.000 0.438 550 R N 0.736 121.253 120.500 0.028 0.000 2.171 550 R HA -0.204 4.146 4.340 0.017 0.000 0.232 550 R C 1.942 178.251 176.300 0.016 0.000 1.116 550 R CA 1.588 57.702 56.100 0.023 0.000 0.901 550 R CB -1.622 28.695 30.300 0.028 0.000 0.850 550 R HN 0.374 nan 8.270 nan 0.000 0.431 551 N N 0.819 119.528 118.700 0.017 0.000 2.089 551 N HA -0.206 4.545 4.740 0.017 0.000 0.198 551 N C 1.413 176.926 175.510 0.004 0.000 1.017 551 N CA 2.007 55.062 53.050 0.008 0.000 0.880 551 N CB -0.333 38.161 38.487 0.011 0.000 1.042 551 N HN 0.244 nan 8.380 nan 0.000 0.446 552 N N 0.345 119.049 118.700 0.006 0.000 2.022 552 N HA -0.155 4.596 4.740 0.017 0.000 0.194 552 N C 1.696 177.207 175.510 0.002 0.000 1.057 552 N CA 0.943 53.994 53.050 0.002 0.000 0.849 552 N CB -0.701 37.788 38.487 0.003 0.000 1.044 552 N HN 0.336 nan 8.380 nan 0.000 0.424 553 R N 0.818 121.322 120.500 0.006 0.000 2.165 553 R HA -0.186 4.164 4.340 0.017 0.000 0.254 553 R C 2.046 178.348 176.300 0.003 0.000 1.153 553 R CA 1.273 57.376 56.100 0.006 0.000 0.971 553 R CB -0.488 29.818 30.300 0.010 0.000 0.878 553 R HN 0.205 nan 8.270 nan 0.000 0.449 554 L N 1.390 122.615 121.223 0.002 0.000 1.989 554 L HA -0.226 4.124 4.340 0.017 0.000 0.211 554 L C 1.814 178.681 176.870 -0.005 0.000 1.071 554 L CA 2.087 56.926 54.840 -0.002 0.000 0.749 554 L CB -0.871 41.185 42.059 -0.004 0.000 0.890 554 L HN 0.252 nan 8.230 nan 0.000 0.431 555 K N -0.160 120.237 120.400 -0.005 0.000 2.032 555 K HA -0.224 4.107 4.320 0.017 0.000 0.209 555 K C 2.034 178.630 176.600 -0.006 0.000 1.048 555 K CA 1.920 58.203 56.287 -0.007 0.000 0.927 555 K CB -0.114 32.382 32.500 -0.008 0.000 0.712 555 K HN 0.334 nan 8.250 nan 0.000 0.441 556 K N 0.968 121.365 120.400 -0.004 0.000 2.009 556 K HA -0.132 4.199 4.320 0.017 0.000 0.210 556 K C 2.070 178.667 176.600 -0.004 0.000 1.049 556 K CA 1.302 57.587 56.287 -0.004 0.000 0.929 556 K CB -0.226 32.273 32.500 -0.002 0.000 0.714 556 K HN 0.064 nan 8.250 nan 0.000 0.440 557 L N 0.820 122.041 121.223 -0.003 0.000 2.275 557 L HA -0.125 4.226 4.340 0.017 0.000 0.215 557 L C 2.070 178.936 176.870 -0.006 0.000 1.119 557 L CA 0.634 55.471 54.840 -0.004 0.000 0.790 557 L CB -0.062 41.996 42.059 -0.002 0.000 0.919 557 L HN 0.255 nan 8.230 nan 0.000 0.443 558 L N -1.427 119.792 121.223 -0.007 0.000 2.341 558 L HA -0.051 4.300 4.340 0.017 0.000 0.214 558 L C 2.437 179.302 176.870 -0.009 0.000 1.115 558 L CA 0.572 55.407 54.840 -0.009 0.000 0.820 558 L CB -0.165 41.888 42.059 -0.011 0.000 0.944 558 L HN 0.234 nan 8.230 nan 0.000 0.452 559 A N -0.705 122.111 122.820 -0.008 0.000 1.859 559 A HA -0.187 4.144 4.320 0.017 0.000 0.212 559 A C 1.969 179.549 177.584 -0.007 0.000 1.238 559 A CA 0.727 52.760 52.037 -0.008 0.000 0.613 559 A CB -0.549 18.446 19.000 -0.007 0.000 0.904 559 A HN 0.284 nan 8.150 nan 0.000 0.457 560 Q N -0.260 119.536 119.800 -0.006 0.000 2.388 560 Q HA -0.047 4.303 4.340 0.017 0.000 0.216 560 Q C 0.759 176.756 176.000 -0.006 0.000 0.997 560 Q CA 1.316 57.115 55.803 -0.005 0.000 0.923 560 Q CB -0.917 27.818 28.738 -0.005 0.000 0.922 560 Q HN 1.497 nan 8.270 nan 0.000 0.435 561 G N -1.607 107.189 108.800 -0.007 0.000 3.399 561 G HA2 0.173 4.144 3.960 0.017 0.000 0.685 561 G HA3 0.173 4.144 3.960 0.017 0.000 0.685 561 G C -0.669 174.226 174.900 -0.008 0.000 0.952 561 G CA -0.082 45.014 45.100 -0.007 0.000 0.793 561 G HN 0.792 nan 8.290 nan 0.000 0.492 562 A N 4.837 127.652 122.820 -0.008 0.000 2.515 562 A HA 1.013 5.343 4.320 0.017 0.000 0.296 562 A C -1.754 175.824 177.584 -0.011 0.000 1.094 562 A CA -0.814 51.218 52.037 -0.009 0.000 0.718 562 A CB 1.851 20.847 19.000 -0.007 0.000 1.307 562 A HN 1.037 nan 8.150 nan 0.000 0.408 563 P HA 0.251 nan 4.420 nan 0.000 0.274 563 P C 0.006 177.298 177.300 -0.014 0.000 1.246 563 P CA -0.176 62.914 63.100 -0.018 0.000 0.795 563 P CB 0.796 32.483 31.700 -0.021 0.000 1.006 564 E N 0.742 120.933 120.200 -0.015 0.000 2.007 564 E HA -0.119 4.241 4.350 0.017 0.000 0.194 564 E C 1.804 178.400 176.600 -0.006 0.000 0.999 564 E CA 1.307 57.703 56.400 -0.007 0.000 0.811 564 E CB -1.083 28.616 29.700 -0.001 0.000 0.762 564 E HN 0.448 nan 8.360 nan 0.000 0.450 565 I N 0.860 121.425 120.570 -0.008 0.000 2.992 565 I HA -0.218 3.962 4.170 0.017 0.000 0.277 565 I C 2.005 178.123 176.117 0.002 0.000 1.277 565 I CA 1.117 62.415 61.300 -0.003 0.000 1.429 565 I CB -0.697 37.300 38.000 -0.005 0.000 1.104 565 I HN 0.057 nan 8.210 nan 0.000 0.498 566 I N -0.866 119.704 120.570 -0.000 0.000 3.883 566 I HA 0.035 4.216 4.170 0.017 0.000 0.305 566 I C 2.171 178.290 176.117 0.003 0.000 1.247 566 I CA 0.343 61.645 61.300 0.003 0.000 1.350 566 I CB 0.144 38.144 38.000 -0.000 0.000 1.194 566 I HN 0.088 nan 8.210 nan 0.000 0.441 567 I N 0.757 121.326 120.570 -0.001 0.000 2.133 567 I HA -0.246 3.935 4.170 0.017 0.000 0.238 567 I C 2.728 178.843 176.117 -0.004 0.000 1.074 567 I CA 1.174 62.471 61.300 -0.004 0.000 1.342 567 I CB -0.397 37.599 38.000 -0.008 0.000 1.053 567 I HN 0.143 nan 8.210 nan 0.000 0.404 568 R N 1.834 122.332 120.500 -0.004 0.000 2.088 568 R HA -0.242 4.109 4.340 0.017 0.000 0.232 568 R C 2.015 178.324 176.300 0.014 0.000 1.136 568 R CA 2.399 58.497 56.100 -0.003 0.000 0.926 568 R CB -1.166 29.129 30.300 -0.008 0.000 0.837 568 R HN 0.420 nan 8.270 nan 0.000 0.429 569 N N -0.809 117.905 118.700 0.023 0.000 2.133 569 N HA -0.294 4.457 4.740 0.017 0.000 0.193 569 N C 1.541 177.072 175.510 0.034 0.000 1.012 569 N CA 1.750 54.822 53.050 0.037 0.000 0.871 569 N CB -0.131 38.375 38.487 0.032 0.000 1.011 569 N HN 0.364 nan 8.380 nan 0.000 0.435 570 E N 0.867 121.079 120.200 0.021 0.000 2.086 570 E HA -0.036 4.324 4.350 0.017 0.000 0.190 570 E C 1.878 178.486 176.600 0.013 0.000 0.975 570 E CA 0.968 57.379 56.400 0.018 0.000 0.813 570 E CB -0.019 29.687 29.700 0.010 0.000 0.768 570 E HN 0.207 nan 8.360 nan 0.000 0.457 571 K N 0.395 120.797 120.400 0.002 0.000 2.032 571 K HA -0.207 4.124 4.320 0.017 0.000 0.209 571 K C 2.316 178.909 176.600 -0.011 0.000 1.048 571 K CA 1.509 57.787 56.287 -0.015 0.000 0.927 571 K CB -0.178 32.304 32.500 -0.029 0.000 0.712 571 K HN 0.038 nan 8.250 nan 0.000 0.441 572 R N 0.830 121.340 120.500 0.016 0.000 2.132 572 R HA -0.221 4.130 4.340 0.017 0.000 0.233 572 R C 2.222 178.562 176.300 0.067 0.000 1.125 572 R CA 2.461 58.593 56.100 0.053 0.000 0.914 572 R CB -0.417 29.945 30.300 0.104 0.000 0.845 572 R HN 0.152 nan 8.270 nan 0.000 0.431 573 M N 0.628 120.271 119.600 0.070 0.000 2.192 573 M HA -0.216 4.275 4.480 0.017 0.000 0.259 573 M C 2.305 178.638 176.300 0.054 0.000 1.071 573 M CA 1.399 56.742 55.300 0.072 0.000 1.082 573 M CB -0.413 32.220 32.600 0.054 0.000 1.373 573 M HN 0.305 nan 8.290 nan 0.000 0.408 574 L N 0.223 121.463 121.223 0.027 0.000 2.083 574 L HA -0.200 4.150 4.340 0.017 0.000 0.209 574 L C 2.361 179.234 176.870 0.005 0.000 1.083 574 L CA 1.914 56.762 54.840 0.013 0.000 0.752 574 L CB -0.761 41.294 42.059 -0.006 0.000 0.899 574 L HN 0.248 nan 8.230 nan 0.000 0.433 575 Q N 0.028 119.814 119.800 -0.024 0.000 1.948 575 Q HA -0.263 4.088 4.340 0.017 0.000 0.205 575 Q C 2.193 178.223 176.000 0.049 0.000 0.992 575 Q CA 2.226 57.985 55.803 -0.074 0.000 0.849 575 Q CB -0.611 27.948 28.738 -0.299 0.000 0.918 575 Q HN 0.555 nan 8.270 nan 0.000 0.421 576 E N -0.175 120.119 120.200 0.156 0.000 2.160 576 E HA -0.363 3.997 4.350 0.017 0.000 0.237 576 E C 1.769 178.444 176.600 0.126 0.000 1.069 576 E CA 2.090 58.616 56.400 0.210 0.000 0.950 576 E CB -0.791 29.012 29.700 0.171 0.000 0.832 576 E HN 0.460 nan 8.360 nan 0.000 0.496 577 A N 0.514 123.383 122.820 0.082 0.000 1.940 577 A HA -0.231 4.100 4.320 0.017 0.000 0.221 577 A C 2.654 180.261 177.584 0.038 0.000 1.190 577 A CA 2.372 54.440 52.037 0.052 0.000 0.647 577 A CB -0.902 18.125 19.000 0.044 0.000 0.821 577 A HN 0.260 nan 8.150 nan 0.000 0.457 578 V N 0.681 120.620 119.914 0.041 0.000 2.515 578 V HA -0.225 3.905 4.120 0.017 0.000 0.250 578 V C 2.050 178.167 176.094 0.038 0.000 1.058 578 V CA 2.106 64.421 62.300 0.026 0.000 1.064 578 V CB -0.740 31.091 31.823 0.012 0.000 0.675 578 V HN 0.637 nan 8.190 nan 0.000 0.461 579 D N 1.054 121.505 120.400 0.084 0.000 2.107 579 D HA -0.068 4.582 4.640 0.017 0.000 0.204 579 D C 2.287 178.631 176.300 0.073 0.000 0.978 579 D CA 1.368 55.439 54.000 0.118 0.000 0.852 579 D CB -0.579 40.335 40.800 0.189 0.000 1.008 579 D HN 0.381 nan 8.370 nan 0.000 0.458 580 A N 1.298 124.159 122.820 0.069 0.000 2.082 580 A HA -0.247 4.083 4.320 0.017 0.000 0.224 580 A C 2.260 179.832 177.584 -0.020 0.000 1.179 580 A CA 2.281 54.338 52.037 0.034 0.000 0.670 580 A CB -0.863 18.157 19.000 0.033 0.000 0.817 580 A HN 0.397 nan 8.150 nan 0.000 0.475 581 L N -2.452 118.736 121.223 -0.059 0.000 2.221 581 L HA 0.226 4.576 4.340 0.017 0.000 0.202 581 L C 2.122 178.911 176.870 -0.135 0.000 1.074 581 L CA 1.141 55.878 54.840 -0.173 0.000 0.795 581 L CB -0.558 41.347 42.059 -0.258 0.000 0.960 581 L HN 0.239 nan 8.230 nan 0.000 0.458 582 L N -0.205 120.978 121.223 -0.067 0.000 1.961 582 L HA 0.033 4.384 4.340 0.017 0.000 0.209 582 L C 0.180 177.051 176.870 0.001 0.000 1.075 582 L CA 1.234 56.039 54.840 -0.058 0.000 0.749 582 L CB -0.428 41.614 42.059 -0.028 0.000 0.890 582 L HN 0.280 nan 8.230 nan 0.000 0.433 583 D N -0.760 119.685 120.400 0.074 0.000 2.616 583 D HA 0.199 4.850 4.640 0.017 0.000 0.238 583 D C -1.163 175.208 176.300 0.117 0.000 1.354 583 D CA -0.343 53.737 54.000 0.133 0.000 0.970 583 D CB 1.509 42.476 40.800 0.277 0.000 1.369 583 D HN -0.038 nan 8.370 nan 0.000 0.585 584 N N -0.237 118.511 118.700 0.079 0.000 2.399 584 N HA 0.344 5.094 4.740 0.017 0.000 0.250 584 N C 1.471 177.020 175.510 0.064 0.000 1.272 584 N CA 1.574 54.661 53.050 0.062 0.000 0.928 584 N CB 0.686 39.197 38.487 0.040 0.000 1.158 584 N HN 0.589 nan 8.380 nan 0.000 0.463 585 G N 0.786 109.615 108.800 0.048 0.000 2.270 585 G HA2 -0.357 3.613 3.960 0.017 0.000 0.268 585 G HA3 -0.357 3.613 3.960 0.017 0.000 0.268 585 G C 1.254 176.173 174.900 0.031 0.000 0.982 585 G CA 0.670 45.791 45.100 0.035 0.000 0.628 585 G HN 0.609 nan 8.290 nan 0.000 0.544 586 R N -0.228 120.303 120.500 0.051 0.000 2.127 586 R HA -0.016 4.334 4.340 0.017 0.000 0.238 586 R C 2.435 178.739 176.300 0.007 0.000 1.134 586 R CA 1.664 57.793 56.100 0.047 0.000 0.975 586 R CB -0.133 30.226 30.300 0.099 0.000 0.865 586 R HN 0.589 nan 8.270 nan 0.000 0.447 587 R N -0.758 119.741 120.500 -0.001 0.000 2.492 587 R HA 0.132 4.483 4.340 0.017 0.000 0.219 587 R C -0.030 176.242 176.300 -0.047 0.000 0.886 587 R CA 0.639 56.699 56.100 -0.066 0.000 1.003 587 R CB 1.376 31.606 30.300 -0.117 0.000 1.345 587 R HN 0.197 nan 8.270 nan 0.000 0.631 588 G N -0.312 108.484 108.800 -0.006 0.000 2.632 588 G HA2 0.549 4.519 3.960 0.017 0.000 0.292 588 G HA3 0.549 4.519 3.960 0.017 0.000 0.292 588 G C -1.922 172.989 174.900 0.018 0.000 1.465 588 G CA -0.305 44.796 45.100 0.001 0.000 0.824 588 G HN 0.150 nan 8.290 nan 0.000 0.509 589 A N 1.538 124.368 122.820 0.016 0.000 2.322 589 A HA 0.803 5.133 4.320 0.017 0.000 0.327 589 A C -2.248 175.349 177.584 0.022 0.000 1.394 589 A CA -1.222 50.828 52.037 0.021 0.000 0.921 589 A CB 0.358 19.369 19.000 0.018 0.000 1.153 589 A HN 0.409 nan 8.150 nan 0.000 0.523 590 P HA 0.506 nan 4.420 nan 0.000 0.274 590 P C -0.763 176.550 177.300 0.022 0.000 1.246 590 P CA -0.283 62.831 63.100 0.024 0.000 0.795 590 P CB 1.216 32.931 31.700 0.025 0.000 1.006 591 V N -2.498 117.429 119.914 0.021 0.000 2.851 591 V HA 0.394 4.524 4.120 0.017 0.000 0.307 591 V C -0.180 175.927 176.094 0.022 0.000 1.129 591 V CA -0.874 61.438 62.300 0.021 0.000 0.932 591 V CB 1.185 33.020 31.823 0.020 0.000 1.024 591 V HN 0.456 nan 8.190 nan 0.000 0.426 592 T N 3.439 118.006 114.554 0.023 0.000 2.939 592 T HA 0.071 4.432 4.350 0.017 0.000 0.319 592 T C 0.534 175.248 174.700 0.023 0.000 1.082 592 T CA 0.146 62.261 62.100 0.024 0.000 1.133 592 T CB -0.198 68.686 68.868 0.026 0.000 1.019 592 T HN 0.829 nan 8.240 nan 0.000 0.548 593 N N 3.133 121.846 118.700 0.022 0.000 2.293 593 N HA 0.013 4.763 4.740 0.017 0.000 0.253 593 N C -2.342 173.180 175.510 0.019 0.000 1.248 593 N CA -0.807 52.256 53.050 0.020 0.000 0.845 593 N CB -0.448 38.051 38.487 0.020 0.000 1.073 593 N HN 0.402 nan 8.380 nan 0.000 0.464 594 P HA -0.144 nan 4.420 nan 0.000 0.264 594 P C 0.895 178.205 177.300 0.017 0.000 1.139 594 P CA 1.238 64.348 63.100 0.017 0.000 0.754 594 P CB 0.115 31.824 31.700 0.015 0.000 0.737 595 G N 1.066 109.876 108.800 0.017 0.000 3.675 595 G HA2 -0.084 3.887 3.960 0.017 0.000 0.206 595 G HA3 -0.084 3.887 3.960 0.017 0.000 0.206 595 G C -0.307 174.604 174.900 0.018 0.000 1.086 595 G CA 0.197 45.307 45.100 0.017 0.000 0.894 595 G HN 0.794 nan 8.290 nan 0.000 0.412 596 S N 1.299 117.010 115.700 0.019 0.000 2.718 596 S HA 0.549 5.029 4.470 0.017 0.000 0.294 596 S C -0.413 174.199 174.600 0.020 0.000 1.157 596 S CA -0.387 57.825 58.200 0.020 0.000 1.121 596 S CB 1.682 64.895 63.200 0.023 0.000 1.015 596 S HN 0.144 nan 8.310 nan 0.000 0.479 597 D N 1.653 122.064 120.400 0.018 0.000 2.352 597 D HA -0.027 4.623 4.640 0.017 0.000 0.232 597 D C 0.780 177.091 176.300 0.019 0.000 1.055 597 D CA 0.188 54.199 54.000 0.018 0.000 0.891 597 D CB 0.184 40.993 40.800 0.016 0.000 0.897 597 D HN 0.586 nan 8.370 nan 0.000 0.529 598 R N 1.974 122.487 120.500 0.021 0.000 2.491 598 R HA 0.163 4.514 4.340 0.017 0.000 0.283 598 R C -2.518 173.796 176.300 0.023 0.000 1.072 598 R CA -1.142 54.971 56.100 0.022 0.000 1.048 598 R CB 0.597 30.912 30.300 0.024 0.000 0.983 598 R HN -0.203 nan 8.270 nan 0.000 0.450 599 P HA 0.023 nan 4.420 nan 0.000 0.272 599 P C -0.737 176.577 177.300 0.024 0.000 1.223 599 P CA -0.140 62.974 63.100 0.025 0.000 0.784 599 P CB 0.522 32.238 31.700 0.027 0.000 0.923 600 L N 2.275 123.510 121.223 0.020 0.000 2.331 600 L HA 0.262 4.613 4.340 0.017 0.000 0.278 600 L C 1.132 178.011 176.870 0.014 0.000 1.106 600 L CA -0.666 54.183 54.840 0.015 0.000 0.824 600 L CB 0.303 42.365 42.059 0.006 0.000 1.142 600 L HN 0.328 nan 8.230 nan 0.000 0.443 601 R N 2.768 123.278 120.500 0.018 0.000 2.723 601 R HA -0.014 4.336 4.340 0.017 0.000 0.358 601 R C 0.046 176.350 176.300 0.007 0.000 0.966 601 R CA 0.019 56.133 56.100 0.023 0.000 1.022 601 R CB -0.295 30.022 30.300 0.028 0.000 0.945 601 R HN 0.694 nan 8.270 nan 0.000 0.420 602 S N 3.377 119.086 115.700 0.016 0.000 2.626 602 S HA 0.127 4.607 4.470 0.017 0.000 0.257 602 S C 1.530 176.139 174.600 0.016 0.000 1.288 602 S CA -0.912 57.288 58.200 0.001 0.000 0.980 602 S CB 0.575 63.793 63.200 0.030 0.000 0.975 602 S HN 0.496 nan 8.310 nan 0.000 0.577 603 L N 0.386 121.609 121.223 -0.000 0.000 1.937 603 L HA -0.118 4.232 4.340 0.017 0.000 0.213 603 L C 3.055 179.974 176.870 0.082 0.000 1.077 603 L CA 1.786 56.637 54.840 0.017 0.000 0.758 603 L CB -1.220 40.822 42.059 -0.027 0.000 0.888 603 L HN 0.798 nan 8.230 nan 0.000 0.433 604 T N -0.794 113.845 114.554 0.141 0.000 2.869 604 T HA -0.191 4.169 4.350 0.017 0.000 0.270 604 T C 1.216 176.038 174.700 0.203 0.000 1.082 604 T CA 1.649 63.912 62.100 0.271 0.000 1.123 604 T CB -0.404 68.815 68.868 0.586 0.000 0.856 604 T HN 0.335 nan 8.240 nan 0.000 0.499 605 D N 1.066 121.555 120.400 0.149 0.000 2.092 605 D HA -0.063 4.587 4.640 0.017 0.000 0.193 605 D C 1.924 178.288 176.300 0.106 0.000 0.994 605 D CA 1.124 55.192 54.000 0.114 0.000 0.828 605 D CB -0.359 40.492 40.800 0.086 0.000 0.963 605 D HN 0.460 nan 8.370 nan 0.000 0.450 606 I N 0.372 120.998 120.570 0.093 0.000 2.423 606 I HA -0.227 3.954 4.170 0.017 0.000 0.254 606 I C 2.072 178.253 176.117 0.106 0.000 1.151 606 I CA 0.728 62.081 61.300 0.087 0.000 1.421 606 I CB -0.350 37.693 38.000 0.070 0.000 1.079 606 I HN 0.057 nan 8.210 nan 0.000 0.431 607 L N 0.477 121.776 121.223 0.128 0.000 2.034 607 L HA -0.111 4.239 4.340 0.017 0.000 0.203 607 L C 2.780 179.730 176.870 0.134 0.000 1.074 607 L CA 1.643 56.569 54.840 0.145 0.000 0.748 607 L CB -0.758 41.419 42.059 0.198 0.000 0.905 607 L HN 0.305 nan 8.230 nan 0.000 0.439 608 S N -0.227 115.546 115.700 0.120 0.000 2.515 608 S HA 0.022 4.503 4.470 0.017 0.000 0.231 608 S C 1.563 176.227 174.600 0.107 0.000 0.987 608 S CA 0.446 58.680 58.200 0.056 0.000 0.936 608 S CB -0.210 63.007 63.200 0.030 0.000 0.766 608 S HN 0.588 nan 8.310 nan 0.000 0.528 609 G N 2.056 110.944 108.800 0.146 0.000 2.221 609 G HA2 -0.362 3.609 3.960 0.017 0.000 0.265 609 G HA3 -0.362 3.609 3.960 0.017 0.000 0.265 609 G C 0.552 175.544 174.900 0.152 0.000 1.041 609 G CA 0.611 45.818 45.100 0.178 0.000 0.807 609 G HN 0.567 nan 8.290 nan 0.000 0.502 610 K N -0.925 119.540 120.400 0.108 0.000 2.189 610 K HA -0.203 4.127 4.320 0.017 0.000 0.207 610 K C 1.586 178.234 176.600 0.081 0.000 1.046 610 K CA 1.876 58.214 56.287 0.084 0.000 0.928 610 K CB 0.032 32.575 32.500 0.072 0.000 0.720 610 K HN 0.446 nan 8.250 nan 0.000 0.458 611 Q N -0.474 119.374 119.800 0.079 0.000 2.735 611 Q HA 0.212 4.562 4.340 0.017 0.000 0.380 611 Q C -0.664 175.375 176.000 0.066 0.000 1.060 611 Q CA 0.398 56.239 55.803 0.064 0.000 1.025 611 Q CB 0.680 29.451 28.738 0.054 0.000 1.350 611 Q HN 0.451 nan 8.270 nan 0.000 0.424 612 G N 0.995 109.843 108.800 0.080 0.000 2.350 612 G HA2 -0.341 3.630 3.960 0.017 0.000 0.298 612 G HA3 -0.341 3.630 3.960 0.017 0.000 0.298 612 G C 0.533 175.467 174.900 0.058 0.000 1.037 612 G CA 0.813 45.954 45.100 0.068 0.000 1.074 612 G HN 0.503 nan 8.290 nan 0.000 0.511 613 R N -0.769 119.785 120.500 0.092 0.000 2.197 613 R HA 0.246 4.597 4.340 0.017 0.000 0.188 613 R C 2.223 178.575 176.300 0.087 0.000 1.015 613 R CA 0.856 57.003 56.100 0.079 0.000 1.132 613 R CB -0.226 30.131 30.300 0.095 0.000 1.134 613 R HN 0.572 nan 8.270 nan 0.000 0.560 614 F N 2.750 122.707 119.950 0.012 0.000 2.011 614 F HA -0.231 4.306 4.527 0.018 0.000 0.296 614 F C 2.147 177.937 175.800 -0.016 0.000 1.144 614 F CA 1.626 59.626 58.000 0.001 0.000 1.185 614 F CB -0.470 38.533 39.000 0.005 0.000 0.961 614 F HN -0.091 nan 8.300 nan 0.000 0.485 615 R N 0.685 120.796 120.500 -0.648 0.000 2.162 615 R HA -0.284 4.066 4.340 0.017 0.000 0.245 615 R C 2.368 178.414 176.300 -0.424 0.000 1.129 615 R CA 2.023 57.699 56.100 -0.707 0.000 0.940 615 R CB -1.698 28.456 30.300 -0.243 0.000 0.875 615 R HN 0.618 nan 8.270 nan 0.000 0.437 616 Q N 0.716 120.389 119.800 -0.212 0.000 2.135 616 Q HA -0.191 4.160 4.340 0.017 0.000 0.204 616 Q C 1.729 177.645 176.000 -0.140 0.000 0.981 616 Q CA 1.651 57.376 55.803 -0.131 0.000 0.856 616 Q CB -0.419 28.284 28.738 -0.059 0.000 0.902 616 Q HN 0.356 nan 8.270 nan 0.000 0.425 617 N N 0.336 118.946 118.700 -0.151 0.000 2.205 617 N HA -0.147 4.604 4.740 0.017 0.000 0.186 617 N C 1.411 176.830 175.510 -0.152 0.000 1.015 617 N CA 0.962 53.947 53.050 -0.108 0.000 0.862 617 N CB -0.051 38.413 38.487 -0.038 0.000 0.986 617 N HN 0.347 nan 8.380 nan 0.000 0.429 618 L N 0.605 121.665 121.223 -0.272 0.000 2.728 618 L HA 0.145 4.496 4.340 0.017 0.000 0.238 618 L C 1.430 178.175 176.870 -0.209 0.000 1.143 618 L CA -0.139 54.553 54.840 -0.246 0.000 0.937 618 L CB 0.366 42.222 42.059 -0.338 0.000 1.225 618 L HN 0.070 nan 8.230 nan 0.000 0.507 619 L N 0.052 121.161 121.223 -0.190 0.000 2.567 619 L HA 0.480 4.830 4.340 0.017 0.000 0.225 619 L C 0.661 177.482 176.870 -0.082 0.000 1.119 619 L CA 0.573 55.335 54.840 -0.130 0.000 0.871 619 L CB 0.033 42.020 42.059 -0.119 0.000 1.036 619 L HN 0.105 nan 8.230 nan 0.000 0.459 620 G N -0.489 108.261 108.800 -0.082 0.000 2.340 620 G HA2 0.073 4.044 3.960 0.017 0.000 0.527 620 G HA3 0.073 4.044 3.960 0.017 0.000 0.527 620 G C -1.317 173.559 174.900 -0.040 0.000 1.381 620 G CA -0.693 44.376 45.100 -0.051 0.000 1.001 620 G HN 0.170 nan 8.290 nan 0.000 0.626 621 K N -0.725 119.659 120.400 -0.027 0.000 2.439 621 K HA 0.681 5.012 4.320 0.017 0.000 0.260 621 K C -0.437 176.158 176.600 -0.007 0.000 1.032 621 K CA -1.012 55.264 56.287 -0.019 0.000 0.882 621 K CB 1.924 34.411 32.500 -0.023 0.000 1.420 621 K HN 0.486 nan 8.250 nan 0.000 0.455 622 R N 1.267 121.763 120.500 -0.006 0.000 2.295 622 R HA 0.325 4.676 4.340 0.017 0.000 0.324 622 R C -0.513 175.785 176.300 -0.003 0.000 0.968 622 R CA -0.726 55.375 56.100 0.001 0.000 0.837 622 R CB 1.470 31.765 30.300 -0.008 0.000 1.133 622 R HN 0.250 nan 8.270 nan 0.000 0.450 623 V N 2.548 122.478 119.914 0.027 0.000 3.139 623 V HA -0.117 4.014 4.120 0.017 0.000 0.307 623 V C 1.113 177.181 176.094 -0.043 0.000 1.095 623 V CA 0.667 62.987 62.300 0.034 0.000 1.160 623 V CB 0.857 32.770 31.823 0.150 0.000 1.003 623 V HN 0.757 nan 8.190 nan 0.000 0.489 624 D N 0.529 120.862 120.400 -0.112 0.000 2.183 624 D HA 0.002 4.653 4.640 0.017 0.000 0.205 624 D C 0.174 176.063 176.300 -0.685 0.000 0.962 624 D CA 1.210 54.948 54.000 -0.437 0.000 0.849 624 D CB 0.118 40.547 40.800 -0.618 0.000 0.978 624 D HN 0.654 nan 8.370 nan 0.000 0.488 625 Y N 0.195 120.516 120.300 0.034 0.000 2.495 625 Y HA 0.350 4.911 4.550 0.017 0.000 0.362 625 Y C 0.095 175.994 175.900 -0.002 0.000 0.956 625 Y CA -0.885 57.219 58.100 0.006 0.000 1.127 625 Y CB 0.291 38.741 38.460 -0.017 0.000 1.173 625 Y HN -0.216 nan 8.280 nan 0.000 0.639 626 S N -0.765 114.972 115.700 0.061 0.000 2.718 626 S HA 0.994 5.475 4.470 0.017 0.000 0.300 626 S C 0.129 174.707 174.600 -0.037 0.000 1.117 626 S CA -0.447 57.760 58.200 0.012 0.000 1.002 626 S CB 2.444 65.666 63.200 0.038 0.000 1.092 626 S HN 0.529 nan 8.310 nan 0.000 0.542 627 G N -0.338 108.402 108.800 -0.099 0.000 2.687 627 G HA2 0.726 4.696 3.960 0.017 0.000 0.291 627 G HA3 0.726 4.696 3.960 0.017 0.000 0.291 627 G C -1.561 173.284 174.900 -0.092 0.000 1.420 627 G CA -0.936 44.123 45.100 -0.067 0.000 0.796 627 G HN 0.833 nan 8.290 nan 0.000 0.485 628 R N -1.455 119.010 120.500 -0.058 0.000 2.762 628 R HA 0.726 5.077 4.340 0.017 0.000 0.271 628 R C -1.435 174.840 176.300 -0.042 0.000 1.038 628 R CA -0.039 56.027 56.100 -0.056 0.000 0.906 628 R CB 1.620 31.895 30.300 -0.042 0.000 1.259 628 R HN 1.414 nan 8.270 nan 0.000 0.457 629 S N -0.037 115.638 115.700 -0.040 0.000 2.716 629 S HA 0.083 4.563 4.470 0.017 0.000 0.277 629 S C -1.689 172.886 174.600 -0.041 0.000 0.874 629 S CA -0.579 57.598 58.200 -0.038 0.000 1.049 629 S CB 0.619 63.794 63.200 -0.042 0.000 1.319 629 S HN 0.341 nan 8.310 nan 0.000 0.457 630 V N 3.810 123.702 119.914 -0.037 0.000 2.655 630 V HA 0.321 4.452 4.120 0.017 0.000 0.300 630 V C 0.610 176.673 176.094 -0.051 0.000 1.044 630 V CA 0.259 62.540 62.300 -0.031 0.000 1.095 630 V CB 0.426 32.234 31.823 -0.026 0.000 0.952 630 V HN 0.638 nan 8.190 nan 0.000 0.485 631 I N 3.754 124.308 120.570 -0.027 0.000 2.396 631 I HA 0.679 4.860 4.170 0.017 0.000 0.292 631 I C -0.573 175.468 176.117 -0.127 0.000 0.999 631 I CA -0.291 60.974 61.300 -0.058 0.000 1.310 631 I CB 1.401 39.427 38.000 0.042 0.000 1.404 631 I HN 0.220 nan 8.210 nan 0.000 0.496 632 V N 6.663 126.385 119.914 -0.321 0.000 2.577 632 V HA 0.199 4.330 4.120 0.017 0.000 0.303 632 V C 0.021 175.692 176.094 -0.704 0.000 1.042 632 V CA -0.837 61.186 62.300 -0.462 0.000 0.872 632 V CB 2.212 33.872 31.823 -0.272 0.000 0.998 632 V HN 0.670 nan 8.190 nan 0.000 0.423 633 V N 5.139 124.411 119.914 -1.069 0.000 2.644 633 V HA 0.312 4.442 4.120 0.017 0.000 0.305 633 V C 1.077 176.908 176.094 -0.437 0.000 1.053 633 V CA 1.336 63.120 62.300 -0.860 0.000 1.186 633 V CB 1.154 32.582 31.823 -0.658 0.000 0.895 633 V HN 1.065 nan 8.190 nan 0.000 0.490 634 G N 7.272 115.874 108.800 -0.329 0.000 4.829 634 G HA2 0.403 4.373 3.960 0.017 0.000 0.320 634 G HA3 0.403 4.373 3.960 0.017 0.000 0.320 634 G C -1.393 173.373 174.900 -0.223 0.000 1.445 634 G CA -0.682 44.272 45.100 -0.242 0.000 1.151 634 G HN 0.724 nan 8.290 nan 0.000 0.572 635 P HA -0.280 nan 4.420 nan 0.000 0.226 635 P C 1.749 178.978 177.300 -0.117 0.000 1.154 635 P CA 1.397 64.380 63.100 -0.194 0.000 0.918 635 P CB 0.366 31.875 31.700 -0.317 0.000 0.790 636 Q N -1.300 118.416 119.800 -0.140 0.000 2.402 636 Q HA 0.113 4.463 4.340 0.017 0.000 0.206 636 Q C 1.119 177.056 176.000 -0.105 0.000 0.919 636 Q CA 0.024 55.753 55.803 -0.124 0.000 0.923 636 Q CB -0.516 28.136 28.738 -0.143 0.000 1.048 636 Q HN 0.393 nan 8.270 nan 0.000 0.515 637 L N 1.139 122.299 121.223 -0.105 0.000 2.477 637 L HA 0.143 4.493 4.340 0.017 0.000 0.272 637 L C -0.144 176.777 176.870 0.084 0.000 1.157 637 L CA -0.238 54.581 54.840 -0.035 0.000 0.889 637 L CB 0.447 42.478 42.059 -0.047 0.000 1.158 637 L HN -0.168 nan 8.230 nan 0.000 0.473 638 K N 3.900 124.366 120.400 0.109 0.000 2.527 638 K HA -0.067 4.263 4.320 0.017 0.000 0.278 638 K C 1.230 178.003 176.600 0.288 0.000 0.981 638 K CA -0.015 56.385 56.287 0.189 0.000 1.009 638 K CB 0.754 33.321 32.500 0.112 0.000 0.895 638 K HN 0.772 nan 8.250 nan 0.000 0.493 639 L N 1.951 123.318 121.223 0.241 0.000 2.058 639 L HA -0.338 4.012 4.340 0.017 0.000 0.226 639 L C 2.348 179.317 176.870 0.164 0.000 1.089 639 L CA 1.695 56.535 54.840 0.000 0.000 0.799 639 L CB -0.425 41.578 42.059 -0.094 0.000 0.900 639 L HN 0.764 nan 8.230 nan 0.000 0.442 640 H N -0.080 119.022 119.070 0.053 0.000 2.521 640 H HA 0.004 4.570 4.556 0.017 0.000 0.286 640 H C 0.697 176.111 175.328 0.143 0.000 1.034 640 H CA 0.568 56.656 56.048 0.068 0.000 1.278 640 H CB 0.031 29.798 29.762 0.009 0.000 1.386 640 H HN 0.489 nan 8.280 nan 0.000 0.567 641 Q N -0.732 119.171 119.800 0.171 0.000 2.195 641 Q HA 0.492 4.842 4.340 0.017 0.000 0.250 641 Q C -0.637 175.419 176.000 0.093 0.000 0.988 641 Q CA -0.605 55.241 55.803 0.072 0.000 0.911 641 Q CB 2.488 31.239 28.738 0.021 0.000 1.258 641 Q HN 0.343 nan 8.270 nan 0.000 0.475 642 C N -1.358 117.942 119.300 0.000 0.000 3.135 642 C HA 0.642 5.113 4.460 0.017 0.000 0.428 642 C C -0.279 174.655 174.990 -0.094 0.000 0.972 642 C CA -0.577 58.369 59.018 -0.121 0.000 1.218 642 C CB 0.380 27.946 27.740 -0.290 0.000 1.595 642 C HN 0.950 nan 8.230 nan 0.000 0.576 643 G N 4.446 113.174 108.800 -0.119 0.000 2.333 643 G HA2 0.602 4.572 3.960 0.017 0.000 0.290 643 G HA3 0.602 4.572 3.960 0.017 0.000 0.290 643 G C -0.638 174.200 174.900 -0.104 0.000 1.150 643 G CA -0.179 44.857 45.100 -0.106 0.000 0.895 643 G HN 1.653 nan 8.290 nan 0.000 0.444 644 L N 1.573 122.753 121.223 -0.071 0.000 2.322 644 L HA 0.796 5.147 4.340 0.017 0.000 0.269 644 L C -2.792 174.041 176.870 -0.062 0.000 1.012 644 L CA -2.856 51.953 54.840 -0.051 0.000 0.815 644 L CB 1.713 43.777 42.059 0.008 0.000 1.295 644 L HN 0.092 nan 8.230 nan 0.000 0.438 645 P HA 0.107 nan 4.420 nan 0.000 0.264 645 P C -0.146 177.113 177.300 -0.069 0.000 1.229 645 P CA -0.314 62.743 63.100 -0.072 0.000 0.780 645 P CB 0.652 32.323 31.700 -0.048 0.000 0.808 646 K N 4.235 124.535 120.400 -0.166 0.000 2.066 646 K HA -0.338 3.993 4.320 0.017 0.000 0.221 646 K C 1.832 178.396 176.600 -0.061 0.000 1.056 646 K CA 1.540 57.671 56.287 -0.260 0.000 0.950 646 K CB -0.602 31.497 32.500 -0.669 0.000 0.726 646 K HN 0.033 nan 8.250 nan 0.000 0.456 647 R N 0.788 121.264 120.500 -0.039 0.000 2.119 647 R HA -0.079 4.271 4.340 0.017 0.000 0.246 647 R C 2.407 178.790 176.300 0.138 0.000 1.146 647 R CA 2.190 58.369 56.100 0.133 0.000 0.962 647 R CB -0.471 29.876 30.300 0.078 0.000 0.863 647 R HN 0.607 nan 8.270 nan 0.000 0.442 648 M N -1.148 118.501 119.600 0.081 0.000 2.254 648 M HA -0.030 4.460 4.480 0.017 0.000 0.265 648 M C 1.881 178.278 176.300 0.162 0.000 1.066 648 M CA 1.771 57.127 55.300 0.094 0.000 1.123 648 M CB -0.045 32.586 32.600 0.052 0.000 1.388 648 M HN 0.219 nan 8.290 nan 0.000 0.425 649 A N 0.857 123.784 122.820 0.178 0.000 1.858 649 A HA -0.194 4.136 4.320 0.017 0.000 0.216 649 A C 1.991 179.795 177.584 0.367 0.000 1.190 649 A CA 1.656 53.868 52.037 0.291 0.000 0.617 649 A CB -1.113 17.965 19.000 0.130 0.000 0.827 649 A HN 0.570 nan 8.150 nan 0.000 0.443 650 L N -0.498 120.928 121.223 0.338 0.000 2.043 650 L HA -0.157 4.193 4.340 0.017 0.000 0.212 650 L C 2.120 179.138 176.870 0.247 0.000 1.075 650 L CA 2.311 57.356 54.840 0.341 0.000 0.752 650 L CB -0.345 41.974 42.059 0.432 0.000 0.891 650 L HN 0.390 nan 8.230 nan 0.000 0.432 651 E N -1.187 119.141 120.200 0.213 0.000 2.478 651 E HA -0.033 4.327 4.350 0.017 0.000 0.194 651 E C 1.835 178.544 176.600 0.182 0.000 1.045 651 E CA 0.210 56.709 56.400 0.164 0.000 0.868 651 E CB 0.218 29.991 29.700 0.121 0.000 0.885 651 E HN 0.358 nan 8.360 nan 0.000 0.505 652 L N -0.589 120.767 121.223 0.222 0.000 2.046 652 L HA 0.030 4.380 4.340 0.017 0.000 0.203 652 L C 1.220 178.184 176.870 0.156 0.000 1.111 652 L CA 1.230 56.163 54.840 0.155 0.000 0.769 652 L CB -0.687 41.439 42.059 0.113 0.000 0.914 652 L HN -0.013 nan 8.230 nan 0.000 0.448 653 F N 0.598 120.618 119.950 0.116 0.000 2.707 653 F HA 0.029 4.566 4.527 0.017 0.000 0.299 653 F C 1.926 177.868 175.800 0.236 0.000 1.259 653 F CA 0.150 58.225 58.000 0.124 0.000 1.437 653 F CB -1.356 37.619 39.000 -0.042 0.000 1.071 653 F HN 0.136 nan 8.300 nan 0.000 0.518 654 K N 1.418 122.025 120.400 0.345 0.000 2.000 654 K HA -0.210 4.120 4.320 0.017 0.000 0.218 654 K C -0.590 176.151 176.600 0.235 0.000 1.053 654 K CA 1.965 58.402 56.287 0.251 0.000 0.946 654 K CB -1.084 31.531 32.500 0.192 0.000 0.723 654 K HN 0.105 nan 8.250 nan 0.000 0.446 655 P HA -0.194 nan 4.420 nan 0.000 0.217 655 P C 0.955 178.293 177.300 0.063 0.000 1.162 655 P CA 1.732 64.880 63.100 0.079 0.000 0.901 655 P CB -0.102 31.580 31.700 -0.031 0.000 0.793 656 F N -1.713 118.278 119.950 0.067 0.000 2.186 656 F HA -0.103 4.435 4.527 0.018 0.000 0.299 656 F C 2.244 178.089 175.800 0.075 0.000 1.090 656 F CA 0.748 58.794 58.000 0.078 0.000 1.307 656 F CB -1.560 37.519 39.000 0.133 0.000 1.019 656 F HN -0.139 nan 8.300 nan 0.000 0.489 657 L N 0.528 121.941 121.223 0.316 0.000 1.955 657 L HA -0.205 4.145 4.340 0.017 0.000 0.213 657 L C 2.184 179.120 176.870 0.109 0.000 1.072 657 L CA 1.737 56.683 54.840 0.177 0.000 0.755 657 L CB -1.162 40.988 42.059 0.153 0.000 0.888 657 L HN 0.131 nan 8.230 nan 0.000 0.432 658 L N -0.276 121.001 121.223 0.091 0.000 2.054 658 L HA -0.343 4.007 4.340 0.017 0.000 0.220 658 L C 2.776 179.665 176.870 0.032 0.000 1.081 658 L CA 1.918 56.785 54.840 0.045 0.000 0.780 658 L CB -0.974 41.106 42.059 0.036 0.000 0.893 658 L HN 0.393 nan 8.230 nan 0.000 0.438 659 K N 0.709 121.130 120.400 0.036 0.000 1.973 659 K HA -0.225 4.105 4.320 0.017 0.000 0.212 659 K C 2.174 178.793 176.600 0.033 0.000 1.047 659 K CA 1.745 58.045 56.287 0.022 0.000 0.937 659 K CB -0.179 32.328 32.500 0.013 0.000 0.721 659 K HN -0.007 nan 8.250 nan 0.000 0.440 660 K N 0.767 121.200 120.400 0.056 0.000 2.074 660 K HA -0.027 4.304 4.320 0.017 0.000 0.209 660 K C 2.163 178.777 176.600 0.024 0.000 1.048 660 K CA 1.591 57.905 56.287 0.045 0.000 0.926 660 K CB -0.230 32.306 32.500 0.061 0.000 0.713 660 K HN 0.205 nan 8.250 nan 0.000 0.444 661 M N 0.603 120.215 119.600 0.020 0.000 2.260 661 M HA -0.202 4.288 4.480 0.017 0.000 0.261 661 M C 1.996 178.295 176.300 -0.002 0.000 1.066 661 M CA 1.623 56.923 55.300 0.000 0.000 1.082 661 M CB -0.361 32.233 32.600 -0.011 0.000 1.388 661 M HN 0.284 nan 8.290 nan 0.000 0.419 662 E N 0.769 120.971 120.200 0.004 0.000 2.122 662 E HA -0.139 4.222 4.350 0.017 0.000 0.190 662 E C 1.471 178.072 176.600 0.002 0.000 0.977 662 E CA 0.834 57.235 56.400 0.001 0.000 0.820 662 E CB 0.005 29.706 29.700 0.001 0.000 0.770 662 E HN 0.460 nan 8.360 nan 0.000 0.462 663 E N 1.165 121.370 120.200 0.007 0.000 2.118 663 E HA -0.099 4.261 4.350 0.017 0.000 0.195 663 E C 0.611 177.213 176.600 0.003 0.000 0.992 663 E CA 0.963 57.368 56.400 0.008 0.000 0.804 663 E CB 0.014 29.723 29.700 0.014 0.000 0.741 663 E HN 0.220 nan 8.360 nan 0.000 0.458 664 K N -0.617 119.784 120.400 0.002 0.000 2.139 664 K HA 0.339 4.669 4.320 0.017 0.000 0.243 664 K C 0.980 177.577 176.600 -0.006 0.000 0.983 664 K CA -0.064 56.222 56.287 -0.002 0.000 0.890 664 K CB 1.356 33.855 32.500 -0.003 0.000 1.090 664 K HN -0.006 nan 8.250 nan 0.000 0.445 665 G N 1.145 109.940 108.800 -0.007 0.000 3.028 665 G HA2 -0.102 3.869 3.960 0.017 0.000 0.205 665 G HA3 -0.102 3.869 3.960 0.017 0.000 0.205 665 G C 0.924 175.815 174.900 -0.014 0.000 1.182 665 G CA 0.260 45.354 45.100 -0.009 0.000 0.860 665 G HN 0.531 nan 8.290 nan 0.000 0.507 666 I N 0.100 120.660 120.570 -0.016 0.000 2.700 666 I HA 0.101 4.282 4.170 0.017 0.000 0.261 666 I C 1.346 177.446 176.117 -0.027 0.000 1.219 666 I CA 0.758 62.043 61.300 -0.026 0.000 1.463 666 I CB -0.222 37.759 38.000 -0.031 0.000 1.092 666 I HN 0.288 nan 8.210 nan 0.000 0.452 667 A N -0.519 122.289 122.820 -0.020 0.000 2.581 667 A HA 0.462 4.793 4.320 0.017 0.000 0.294 667 A C -2.401 175.176 177.584 -0.012 0.000 1.035 667 A CA -0.823 51.203 52.037 -0.018 0.000 0.684 667 A CB 0.320 19.307 19.000 -0.021 0.000 1.282 667 A HN -0.194 nan 8.150 nan 0.000 0.417 668 P HA 0.078 nan 4.420 nan 0.000 0.214 668 P C -0.072 177.224 177.300 -0.007 0.000 1.167 668 P CA 1.037 64.132 63.100 -0.008 0.000 0.882 668 P CB 0.128 31.823 31.700 -0.008 0.000 0.777 669 N N -1.797 116.899 118.700 -0.007 0.000 2.229 669 N HA 0.147 4.897 4.740 0.017 0.000 0.298 669 N C 0.731 176.238 175.510 -0.005 0.000 1.114 669 N CA -0.533 52.514 53.050 -0.005 0.000 0.776 669 N CB 2.276 40.761 38.487 -0.005 0.000 1.501 669 N HN -0.337 nan 8.380 nan 0.000 0.474 670 V N 1.038 120.950 119.914 -0.004 0.000 2.252 670 V HA -0.334 3.797 4.120 0.017 0.000 0.255 670 V C 2.615 178.708 176.094 -0.002 0.000 1.071 670 V CA 1.843 64.141 62.300 -0.002 0.000 1.050 670 V CB -0.711 31.111 31.823 -0.002 0.000 0.654 670 V HN 0.783 nan 8.190 nan 0.000 0.448 671 K N 0.130 120.529 120.400 -0.002 0.000 2.113 671 K HA -0.217 4.113 4.320 0.017 0.000 0.208 671 K C 2.216 178.813 176.600 -0.004 0.000 1.047 671 K CA 1.926 58.212 56.287 -0.001 0.000 0.928 671 K CB -0.602 31.897 32.500 -0.001 0.000 0.716 671 K HN 0.522 nan 8.250 nan 0.000 0.446 672 A N 0.902 123.718 122.820 -0.007 0.000 1.835 672 A HA -0.084 4.246 4.320 0.017 0.000 0.215 672 A C 2.363 179.938 177.584 -0.015 0.000 1.199 672 A CA 2.317 54.347 52.037 -0.011 0.000 0.615 672 A CB -1.006 17.987 19.000 -0.012 0.000 0.838 672 A HN 0.368 nan 8.150 nan 0.000 0.444 673 A N -0.521 122.290 122.820 -0.015 0.000 2.084 673 A HA -0.221 4.109 4.320 0.017 0.000 0.221 673 A C 2.196 179.769 177.584 -0.019 0.000 1.161 673 A CA 1.727 53.752 52.037 -0.020 0.000 0.653 673 A CB -0.530 18.462 19.000 -0.014 0.000 0.802 673 A HN 0.589 nan 8.150 nan 0.000 0.457 674 R N -0.901 119.593 120.500 -0.010 0.000 2.062 674 R HA -0.054 4.296 4.340 0.017 0.000 0.231 674 R C 2.358 178.651 176.300 -0.012 0.000 1.136 674 R CA 1.511 57.608 56.100 -0.004 0.000 0.948 674 R CB -0.310 29.991 30.300 0.002 0.000 0.845 674 R HN 0.482 nan 8.270 nan 0.000 0.430 675 R N 0.227 120.718 120.500 -0.014 0.000 2.193 675 R HA -0.010 4.341 4.340 0.017 0.000 0.229 675 R C 2.131 178.414 176.300 -0.029 0.000 1.110 675 R CA 0.686 56.776 56.100 -0.017 0.000 0.988 675 R CB -0.143 30.149 30.300 -0.014 0.000 0.871 675 R HN 0.191 nan 8.270 nan 0.000 0.458 676 M N 0.620 120.198 119.600 -0.037 0.000 2.539 676 M HA -0.095 4.395 4.480 0.017 0.000 0.261 676 M C 0.825 177.077 176.300 -0.079 0.000 1.069 676 M CA 1.567 56.833 55.300 -0.057 0.000 1.081 676 M CB 0.114 32.677 32.600 -0.062 0.000 1.412 676 M HN 0.201 nan 8.290 nan 0.000 0.482 677 L N -1.700 119.486 121.223 -0.063 0.000 3.217 677 L HA 0.104 4.454 4.340 0.017 0.000 0.288 677 L C 1.683 178.531 176.870 -0.036 0.000 1.202 677 L CA -0.052 54.745 54.840 -0.071 0.000 1.027 677 L CB -0.275 41.743 42.059 -0.069 0.000 1.427 677 L HN 0.199 nan 8.230 nan 0.000 0.600 678 E N 2.009 122.194 120.200 -0.025 0.000 2.267 678 E HA -0.122 4.239 4.350 0.017 0.000 0.197 678 E C 0.487 177.082 176.600 -0.009 0.000 0.998 678 E CA 0.747 57.140 56.400 -0.011 0.000 0.830 678 E CB 0.263 29.958 29.700 -0.009 0.000 0.751 678 E HN 0.465 nan 8.360 nan 0.000 0.491 679 R N -0.024 120.466 120.500 -0.017 0.000 2.673 679 R HA 0.235 4.585 4.340 0.017 0.000 0.281 679 R C 0.518 176.809 176.300 -0.015 0.000 0.991 679 R CA -0.522 55.572 56.100 -0.010 0.000 0.896 679 R CB 1.265 31.559 30.300 -0.009 0.000 1.201 679 R HN 0.024 nan 8.270 nan 0.000 0.457 680 Q N 1.532 121.335 119.800 0.004 0.000 2.224 680 Q HA -0.193 4.158 4.340 0.017 0.000 0.203 680 Q C 1.699 177.706 176.000 0.012 0.000 0.970 680 Q CA 1.629 57.443 55.803 0.017 0.000 0.865 680 Q CB 0.061 28.829 28.738 0.050 0.000 0.922 680 Q HN 0.458 nan 8.270 nan 0.000 0.445 681 R N 0.265 120.768 120.500 0.005 0.000 2.148 681 R HA -0.057 4.293 4.340 0.017 0.000 0.223 681 R C 0.890 177.183 176.300 -0.012 0.000 1.088 681 R CA 1.659 57.762 56.100 0.005 0.000 0.985 681 R CB -0.073 30.229 30.300 0.004 0.000 0.880 681 R HN 0.007 nan 8.270 nan 0.000 0.451 682 D N 0.352 120.735 120.400 -0.028 0.000 2.340 682 D HA 0.152 4.803 4.640 0.017 0.000 0.220 682 D C -0.169 176.087 176.300 -0.073 0.000 1.039 682 D CA 0.172 54.147 54.000 -0.041 0.000 0.866 682 D CB 0.162 40.939 40.800 -0.039 0.000 0.913 682 D HN 0.239 nan 8.370 nan 0.000 0.523 683 I N 2.021 122.528 120.570 -0.105 0.000 2.573 683 I HA -0.043 4.137 4.170 0.017 0.000 0.295 683 I C 0.405 176.414 176.117 -0.179 0.000 1.141 683 I CA 0.026 61.205 61.300 -0.202 0.000 1.364 683 I CB 0.042 37.836 38.000 -0.344 0.000 1.447 683 I HN -0.202 nan 8.210 nan 0.000 0.571 684 K N 5.012 125.326 120.400 -0.143 0.000 2.491 684 K HA -0.083 4.248 4.320 0.017 0.000 0.279 684 K C 0.583 177.118 176.600 -0.108 0.000 1.026 684 K CA 0.046 56.278 56.287 -0.091 0.000 1.070 684 K CB 0.454 32.912 32.500 -0.071 0.000 0.887 684 K HN 0.443 nan 8.250 nan 0.000 0.481 685 D N 2.943 123.337 120.400 -0.010 0.000 2.393 685 D HA -0.142 4.508 4.640 0.017 0.000 0.220 685 D C 0.875 177.224 176.300 0.082 0.000 0.974 685 D CA 1.185 55.247 54.000 0.103 0.000 0.931 685 D CB 0.231 41.118 40.800 0.146 0.000 0.889 685 D HN 0.534 nan 8.370 nan 0.000 0.512 686 E N -0.684 119.518 120.200 0.003 0.000 2.208 686 E HA -0.087 4.274 4.350 0.017 0.000 0.193 686 E C 2.069 178.662 176.600 -0.011 0.000 0.988 686 E CA 0.385 56.789 56.400 0.006 0.000 0.828 686 E CB 0.225 29.916 29.700 -0.014 0.000 0.763 686 E HN 0.174 nan 8.360 nan 0.000 0.478 687 V N 0.404 120.258 119.914 -0.101 0.000 2.307 687 V HA -0.224 3.907 4.120 0.017 0.000 0.245 687 V C 1.793 177.874 176.094 -0.023 0.000 1.045 687 V CA 1.642 63.855 62.300 -0.144 0.000 1.024 687 V CB -0.713 30.901 31.823 -0.349 0.000 0.651 687 V HN 0.436 nan 8.190 nan 0.000 0.449 688 W N 0.425 121.717 121.300 -0.014 0.000 2.359 688 W HA -0.193 4.478 4.660 0.018 0.000 0.275 688 W C 2.024 178.522 176.519 -0.034 0.000 1.217 688 W CA 0.657 57.988 57.345 -0.023 0.000 1.196 688 W CB -0.175 29.272 29.460 -0.022 0.000 1.129 688 W HN 0.341 nan 8.180 nan 0.000 0.566 689 D N -0.686 119.838 120.400 0.208 0.000 2.348 689 D HA 0.014 4.664 4.640 0.017 0.000 0.211 689 D C 1.967 178.304 176.300 0.063 0.000 0.998 689 D CA 0.932 54.993 54.000 0.103 0.000 0.873 689 D CB -0.056 40.782 40.800 0.063 0.000 0.925 689 D HN 0.177 nan 8.370 nan 0.000 0.524 690 A N 0.745 123.606 122.820 0.069 0.000 1.911 690 A HA 0.009 4.339 4.320 0.017 0.000 0.212 690 A C 2.103 179.713 177.584 0.043 0.000 1.189 690 A CA 0.227 52.288 52.037 0.039 0.000 0.639 690 A CB -0.460 18.554 19.000 0.024 0.000 0.839 690 A HN 0.131 nan 8.150 nan 0.000 0.449 691 L N 0.050 121.329 121.223 0.093 0.000 2.079 691 L HA -0.137 4.213 4.340 0.017 0.000 0.210 691 L C 2.008 178.866 176.870 -0.019 0.000 1.081 691 L CA 1.637 56.515 54.840 0.063 0.000 0.752 691 L CB -0.310 41.883 42.059 0.223 0.000 0.896 691 L HN 0.321 nan 8.230 nan 0.000 0.433 692 E N -0.509 119.704 120.200 0.021 0.000 2.455 692 E HA -0.256 4.105 4.350 0.017 0.000 0.202 692 E C 1.685 178.260 176.600 -0.043 0.000 1.045 692 E CA 0.951 57.336 56.400 -0.026 0.000 0.872 692 E CB 0.159 29.854 29.700 -0.009 0.000 0.792 692 E HN 0.685 nan 8.360 nan 0.000 0.542 693 E N -0.513 119.665 120.200 -0.036 0.000 2.367 693 E HA -0.011 4.349 4.350 0.017 0.000 0.204 693 E C 1.285 177.874 176.600 -0.018 0.000 0.840 693 E CA 0.091 56.472 56.400 -0.031 0.000 1.051 693 E CB 0.634 30.319 29.700 -0.026 0.000 1.051 693 E HN -0.046 nan 8.360 nan 0.000 0.509 694 V N 1.713 121.599 119.914 -0.046 0.000 3.590 694 V HA -0.049 4.081 4.120 0.017 0.000 0.272 694 V C 1.074 177.035 176.094 -0.221 0.000 1.233 694 V CA 0.812 63.075 62.300 -0.061 0.000 1.182 694 V CB -0.219 31.597 31.823 -0.012 0.000 0.901 694 V HN 0.307 nan 8.190 nan 0.000 0.485 695 I N -1.996 118.444 120.570 -0.217 0.000 4.439 695 I HA 0.251 4.431 4.170 0.017 0.000 0.331 695 I C 0.740 176.796 176.117 -0.102 0.000 1.345 695 I CA -0.350 60.771 61.300 -0.299 0.000 1.193 695 I CB 0.107 37.836 38.000 -0.451 0.000 1.221 695 I HN 0.218 nan 8.210 nan 0.000 0.429 696 H N 0.825 119.822 119.070 -0.122 0.000 3.004 696 H HA 0.428 4.995 4.556 0.017 0.000 0.316 696 H C 1.442 176.737 175.328 -0.055 0.000 1.014 696 H CA 1.159 57.161 56.048 -0.077 0.000 1.454 696 H CB 0.281 30.011 29.762 -0.052 0.000 1.472 696 H HN 0.339 nan 8.280 nan 0.000 0.571 697 G N 4.164 112.736 108.800 -0.380 0.000 2.990 697 G HA2 -0.334 3.636 3.960 0.017 0.000 0.225 697 G HA3 -0.334 3.636 3.960 0.017 0.000 0.225 697 G C 0.573 175.404 174.900 -0.116 0.000 1.304 697 G CA 0.332 45.285 45.100 -0.246 0.000 0.816 697 G HN 0.695 nan 8.290 nan 0.000 0.528 698 K N 0.801 121.158 120.400 -0.072 0.000 2.457 698 K HA 0.379 4.709 4.320 0.017 0.000 0.269 698 K C 0.688 177.290 176.600 0.003 0.000 0.969 698 K CA 0.869 57.144 56.287 -0.020 0.000 0.921 698 K CB 0.985 33.480 32.500 -0.008 0.000 0.940 698 K HN 1.188 nan 8.250 nan 0.000 0.517 699 V N -2.146 117.803 119.914 0.058 0.000 3.156 699 V HA 0.794 4.924 4.120 0.017 0.000 0.310 699 V C -0.832 175.343 176.094 0.134 0.000 1.234 699 V CA -0.899 61.454 62.300 0.089 0.000 1.065 699 V CB 1.952 33.819 31.823 0.075 0.000 1.088 699 V HN 0.599 nan 8.190 nan 0.000 0.451 700 V N -0.862 119.145 119.914 0.155 0.000 3.114 700 V HA 0.827 4.958 4.120 0.017 0.000 0.308 700 V C -1.152 175.049 176.094 0.178 0.000 1.168 700 V CA -0.831 61.560 62.300 0.151 0.000 1.015 700 V CB 1.592 33.525 31.823 0.184 0.000 1.050 700 V HN 0.978 nan 8.190 nan 0.000 0.433 701 L N 2.387 123.719 121.223 0.181 0.000 2.344 701 L HA 0.777 5.127 4.340 0.017 0.000 0.272 701 L C -0.660 176.380 176.870 0.284 0.000 1.035 701 L CA -0.380 54.593 54.840 0.222 0.000 0.807 701 L CB 1.552 43.736 42.059 0.209 0.000 1.237 701 L HN 0.632 nan 8.230 nan 0.000 0.442 702 L N 2.655 124.104 121.223 0.377 0.000 2.441 702 L HA 0.436 4.786 4.340 0.017 0.000 0.270 702 L C -0.449 176.678 176.870 0.429 0.000 0.973 702 L CA -0.073 54.966 54.840 0.332 0.000 0.842 702 L CB 1.624 43.880 42.059 0.328 0.000 1.239 702 L HN 0.608 nan 8.230 nan 0.000 0.406 703 N N 2.434 121.317 118.700 0.304 0.000 2.399 703 N HA 0.477 5.228 4.740 0.017 0.000 0.295 703 N C -0.250 175.412 175.510 0.254 0.000 1.048 703 N CA -0.774 52.481 53.050 0.342 0.000 0.886 703 N CB 1.734 40.403 38.487 0.303 0.000 1.185 703 N HN 0.536 nan 8.380 nan 0.000 0.487 704 R N 2.880 123.605 120.500 0.376 0.000 2.738 704 R HA 0.368 4.719 4.340 0.017 0.000 0.275 704 R C 0.843 177.228 176.300 0.141 0.000 1.121 704 R CA 0.653 56.900 56.100 0.246 0.000 1.207 704 R CB 0.123 30.645 30.300 0.370 0.000 1.141 704 R HN 0.669 nan 8.270 nan 0.000 0.571 705 A N 1.959 124.836 122.820 0.095 0.000 1.904 705 A HA 0.089 4.419 4.320 0.017 0.000 0.207 705 A C -1.336 176.293 177.584 0.075 0.000 1.231 705 A CA 0.876 52.954 52.037 0.069 0.000 0.655 705 A CB -1.674 17.355 19.000 0.050 0.000 0.875 705 A HN 0.749 nan 8.150 nan 0.000 0.478 706 P HA 0.267 nan 4.420 nan 0.000 0.277 706 P C -1.025 176.319 177.300 0.074 0.000 1.354 706 P CA 0.067 63.207 63.100 0.067 0.000 0.891 706 P CB 0.385 32.124 31.700 0.065 0.000 1.058 707 T N 4.007 118.600 114.554 0.065 0.000 2.769 707 T HA 0.130 4.491 4.350 0.017 0.000 0.293 707 T C 1.359 176.083 174.700 0.040 0.000 0.931 707 T CA -0.084 62.041 62.100 0.041 0.000 1.139 707 T CB 0.373 69.263 68.868 0.036 0.000 0.881 707 T HN 0.250 nan 8.240 nan 0.000 0.532 708 L N 2.372 123.625 121.223 0.050 0.000 2.470 708 L HA 0.222 4.572 4.340 0.017 0.000 0.219 708 L C 1.024 178.054 176.870 0.267 0.000 1.071 708 L CA 0.311 55.258 54.840 0.177 0.000 0.850 708 L CB -0.004 42.226 42.059 0.284 0.000 1.040 708 L HN 0.776 nan 8.230 nan 0.000 0.475 709 H N -2.369 116.688 119.070 -0.022 0.000 2.990 709 H HA 0.252 4.819 4.556 0.017 0.000 0.336 709 H C 0.451 175.741 175.328 -0.063 0.000 1.306 709 H CA -0.873 55.151 56.048 -0.041 0.000 1.118 709 H CB 0.721 30.459 29.762 -0.039 0.000 1.856 709 H HN -0.077 nan 8.280 nan 0.000 0.538 710 R N 0.021 120.540 120.500 0.031 0.000 2.189 710 R HA -0.164 4.186 4.340 0.017 0.000 0.252 710 R C 1.189 177.392 176.300 -0.162 0.000 1.134 710 R CA 1.981 58.051 56.100 -0.051 0.000 0.954 710 R CB -0.582 29.706 30.300 -0.019 0.000 0.890 710 R HN 0.399 nan 8.270 nan 0.000 0.443 711 L N 1.451 122.555 121.223 -0.197 0.000 2.757 711 L HA -0.067 4.283 4.340 0.017 0.000 0.243 711 L C 1.708 178.157 176.870 -0.702 0.000 1.182 711 L CA 1.728 56.343 54.840 -0.375 0.000 0.851 711 L CB -0.965 40.958 42.059 -0.227 0.000 0.989 711 L HN 0.694 nan 8.230 nan 0.000 0.457 712 G N -0.898 107.565 108.800 -0.561 0.000 3.126 712 G HA2 0.249 4.219 3.960 0.017 0.000 0.224 712 G HA3 0.249 4.219 3.960 0.017 0.000 0.224 712 G C 0.645 175.425 174.900 -0.201 0.000 1.142 712 G CA -0.134 44.678 45.100 -0.482 0.000 0.759 712 G HN 0.285 nan 8.290 nan 0.000 0.550 713 I N 0.877 121.333 120.570 -0.191 0.000 2.503 713 I HA 0.318 4.499 4.170 0.017 0.000 0.282 713 I C -1.117 174.973 176.117 -0.045 0.000 1.059 713 I CA -0.450 60.885 61.300 0.058 0.000 1.081 713 I CB 1.899 39.922 38.000 0.038 0.000 1.210 713 I HN -0.045 nan 8.210 nan 0.000 0.450 714 Q N 3.762 123.601 119.800 0.065 0.000 2.394 714 Q HA 0.772 5.123 4.340 0.017 0.000 0.273 714 Q C -0.255 175.468 176.000 -0.463 0.000 1.089 714 Q CA -0.767 54.889 55.803 -0.244 0.000 0.812 714 Q CB 3.049 31.583 28.738 -0.340 0.000 1.353 714 Q HN 0.751 nan 8.270 nan 0.000 0.438 715 A N 1.512 124.045 122.820 -0.478 0.000 2.325 715 A HA 0.714 5.044 4.320 0.017 0.000 0.260 715 A C -0.748 176.378 177.584 -0.764 0.000 1.133 715 A CA 0.334 52.167 52.037 -0.340 0.000 0.801 715 A CB 0.316 19.231 19.000 -0.141 0.000 1.092 715 A HN 0.615 nan 8.150 nan 0.000 0.504 716 F N -2.149 117.875 119.950 0.124 0.000 2.686 716 F HA 0.208 4.745 4.527 0.017 0.000 0.315 716 F C -0.283 175.537 175.800 0.033 0.000 1.088 716 F CA -0.544 57.515 58.000 0.098 0.000 1.034 716 F CB 1.665 40.718 39.000 0.088 0.000 1.280 716 F HN 0.640 nan 8.300 nan 0.000 0.463 717 Q N 3.978 123.848 119.800 0.117 0.000 2.294 717 Q HA 0.377 4.727 4.340 0.017 0.000 0.257 717 Q C -2.485 173.511 176.000 -0.006 0.000 0.955 717 Q CA -1.852 53.916 55.803 -0.059 0.000 0.936 717 Q CB 1.509 30.020 28.738 -0.379 0.000 1.188 717 Q HN 0.092 nan 8.270 nan 0.000 0.420 718 P HA 0.046 nan 4.420 nan 0.000 0.271 718 P C -1.324 175.941 177.300 -0.060 0.000 1.216 718 P CA -0.118 62.980 63.100 -0.004 0.000 0.776 718 P CB 0.856 32.568 31.700 0.020 0.000 0.881 719 V N 4.275 124.151 119.914 -0.063 0.000 2.531 719 V HA 0.264 4.394 4.120 0.017 0.000 0.301 719 V C 0.123 176.161 176.094 -0.093 0.000 1.034 719 V CA -0.778 61.475 62.300 -0.077 0.000 0.865 719 V CB 1.678 33.457 31.823 -0.073 0.000 0.995 719 V HN 0.383 nan 8.190 nan 0.000 0.424 720 L N 5.561 126.717 121.223 -0.111 0.000 2.418 720 L HA 0.401 4.751 4.340 0.017 0.000 0.274 720 L C 0.244 177.024 176.870 -0.151 0.000 1.135 720 L CA 0.364 55.120 54.840 -0.140 0.000 0.870 720 L CB 0.999 42.958 42.059 -0.167 0.000 1.154 720 L HN 0.707 nan 8.230 nan 0.000 0.462 721 V N 0.200 120.021 119.914 -0.155 0.000 3.204 721 V HA 0.646 4.776 4.120 0.017 0.000 0.316 721 V C -0.479 175.510 176.094 -0.176 0.000 1.160 721 V CA -0.937 61.271 62.300 -0.154 0.000 1.044 721 V CB 2.067 33.810 31.823 -0.133 0.000 1.136 721 V HN 0.522 nan 8.190 nan 0.000 0.455 722 E N 0.691 120.798 120.200 -0.155 0.000 2.166 722 E HA 0.716 5.077 4.350 0.017 0.000 0.275 722 E C 0.157 176.685 176.600 -0.120 0.000 0.941 722 E CA 0.730 57.040 56.400 -0.150 0.000 0.784 722 E CB 1.098 30.716 29.700 -0.136 0.000 1.115 722 E HN 1.548 nan 8.360 nan 0.000 0.399 723 G N 2.154 110.890 108.800 -0.107 0.000 2.479 723 G HA2 -0.188 3.783 3.960 0.017 0.000 0.686 723 G HA3 -0.188 3.783 3.960 0.017 0.000 0.686 723 G C -0.237 174.620 174.900 -0.071 0.000 1.295 723 G CA -0.422 44.628 45.100 -0.083 0.000 0.922 723 G HN 0.481 nan 8.290 nan 0.000 0.582 724 Q N -0.234 119.532 119.800 -0.057 0.000 2.292 724 Q HA 0.443 4.794 4.340 0.017 0.000 0.247 724 Q C 0.122 176.088 176.000 -0.056 0.000 0.911 724 Q CA 0.716 56.492 55.803 -0.045 0.000 0.948 724 Q CB -0.575 28.142 28.738 -0.035 0.000 1.093 724 Q HN 1.142 nan 8.270 nan 0.000 0.428 725 S N 0.074 115.730 115.700 -0.073 0.000 2.649 725 S HA 0.444 4.924 4.470 0.017 0.000 0.274 725 S C -0.364 174.172 174.600 -0.107 0.000 1.176 725 S CA -0.825 57.322 58.200 -0.088 0.000 0.988 725 S CB 0.846 63.986 63.200 -0.100 0.000 1.071 725 S HN 0.318 nan 8.310 nan 0.000 0.478 726 I N 2.785 123.290 120.570 -0.107 0.000 2.533 726 I HA 0.092 4.273 4.170 0.017 0.000 0.284 726 I C 0.496 176.510 176.117 -0.172 0.000 1.109 726 I CA 0.126 61.350 61.300 -0.126 0.000 1.412 726 I CB 0.450 38.377 38.000 -0.121 0.000 1.396 726 I HN 0.602 nan 8.210 nan 0.000 0.543 727 Q N 5.435 125.125 119.800 -0.183 0.000 2.331 727 Q HA 0.371 4.722 4.340 0.017 0.000 0.257 727 Q C -0.606 175.249 176.000 -0.241 0.000 0.957 727 Q CA -0.734 54.936 55.803 -0.221 0.000 0.923 727 Q CB 2.032 30.654 28.738 -0.193 0.000 1.212 727 Q HN 0.446 nan 8.270 nan 0.000 0.443 728 L N 1.727 122.784 121.223 -0.276 0.000 2.569 728 L HA 0.381 4.731 4.340 0.017 0.000 0.247 728 L C -0.411 176.384 176.870 -0.126 0.000 1.135 728 L CA -0.412 54.277 54.840 -0.252 0.000 0.812 728 L CB 0.995 42.940 42.059 -0.191 0.000 1.431 728 L HN 0.573 nan 8.230 nan 0.000 0.499 729 H N 1.757 120.757 119.070 -0.117 0.000 2.469 729 H HA 0.360 4.926 4.556 0.017 0.000 0.342 729 H C -2.213 173.203 175.328 0.147 0.000 1.115 729 H CA -2.279 53.778 56.048 0.015 0.000 1.204 729 H CB 2.037 31.825 29.762 0.043 0.000 1.492 729 H HN 0.383 nan 8.280 nan 0.000 0.499 730 P HA -0.163 nan 4.420 nan 0.000 0.216 730 P C 1.577 179.191 177.300 0.522 0.000 1.153 730 P CA 1.006 64.350 63.100 0.407 0.000 0.858 730 P CB 0.578 32.532 31.700 0.424 0.000 0.789 731 L N -0.318 121.387 121.223 0.804 0.000 2.275 731 L HA -0.087 4.264 4.340 0.017 0.000 0.215 731 L C 2.679 179.694 176.870 0.242 0.000 1.119 731 L CA 1.103 56.161 54.840 0.364 0.000 0.790 731 L CB -0.717 41.443 42.059 0.169 0.000 0.919 731 L HN -0.045 nan 8.230 nan 0.000 0.443 732 V N -5.061 115.034 119.914 0.302 0.000 2.725 732 V HA -0.129 4.002 4.120 0.017 0.000 0.247 732 V C 2.383 178.724 176.094 0.411 0.000 1.058 732 V CA 0.738 63.248 62.300 0.351 0.000 1.080 732 V CB -0.827 31.297 31.823 0.502 0.000 0.713 732 V HN 0.451 nan 8.190 nan 0.000 0.465 733 C N 0.832 120.336 119.300 0.341 0.000 2.395 733 C HA -0.160 4.311 4.460 0.017 0.000 0.287 733 C C 2.578 177.693 174.990 0.208 0.000 1.281 733 C CA 1.555 60.716 59.018 0.240 0.000 1.818 733 C CB -1.577 26.219 27.740 0.093 0.000 1.990 733 C HN 0.746 nan 8.230 nan 0.000 0.516 734 E N 1.391 121.715 120.200 0.206 0.000 2.107 734 E HA 0.004 4.364 4.350 0.017 0.000 0.191 734 E C 2.098 178.799 176.600 0.169 0.000 0.982 734 E CA 1.303 57.799 56.400 0.160 0.000 0.809 734 E CB -0.320 29.466 29.700 0.144 0.000 0.756 734 E HN 0.580 nan 8.360 nan 0.000 0.459 735 A N 0.330 123.256 122.820 0.177 0.000 1.881 735 A HA -0.034 4.297 4.320 0.017 0.000 0.208 735 A C 0.292 177.896 177.584 0.033 0.000 1.264 735 A CA 0.969 53.032 52.037 0.043 0.000 0.629 735 A CB -1.209 17.708 19.000 -0.138 0.000 0.906 735 A HN 0.240 nan 8.150 nan 0.000 0.476 736 F N 0.626 120.595 119.950 0.030 0.000 2.602 736 F HA 0.134 4.671 4.527 0.017 0.000 0.385 736 F C 0.828 176.645 175.800 0.029 0.000 1.063 736 F CA -0.111 57.894 58.000 0.008 0.000 1.233 736 F CB -0.651 38.377 39.000 0.046 0.000 1.067 736 F HN 0.351 nan 8.300 nan 0.000 0.564 737 N N 2.604 121.425 118.700 0.202 0.000 2.892 737 N HA 0.369 5.119 4.740 0.017 0.000 0.300 737 N C -0.840 174.713 175.510 0.073 0.000 1.211 737 N CA 0.038 53.165 53.050 0.128 0.000 1.158 737 N CB -0.212 38.342 38.487 0.112 0.000 1.455 737 N HN 0.713 nan 8.380 nan 0.000 0.524 738 A N 1.737 124.578 122.820 0.036 0.000 2.423 738 A HA 0.626 4.957 4.320 0.017 0.000 0.304 738 A C -0.569 176.842 177.584 -0.289 0.000 1.104 738 A CA -0.792 51.196 52.037 -0.082 0.000 0.757 738 A CB 1.159 20.124 19.000 -0.058 0.000 1.313 738 A HN 0.645 nan 8.150 nan 0.000 0.423 739 D N -1.068 119.094 120.400 -0.397 0.000 2.707 739 D HA 0.538 5.188 4.640 0.017 0.000 0.223 739 D C -0.432 175.326 176.300 -0.904 0.000 1.208 739 D CA -0.239 53.356 54.000 -0.675 0.000 1.081 739 D CB 0.246 40.871 40.800 -0.293 0.000 1.216 739 D HN 0.348 nan 8.370 nan 0.000 0.633 740 F N -1.076 118.864 119.950 -0.017 0.000 2.901 740 F HA 0.163 4.699 4.527 0.016 0.000 0.329 740 F C 0.038 175.819 175.800 -0.033 0.000 1.185 740 F CA -0.721 57.259 58.000 -0.034 0.000 1.114 740 F CB 0.508 39.481 39.000 -0.045 0.000 1.199 740 F HN 0.131 nan 8.300 nan 0.000 0.513 741 D N -0.005 120.443 120.400 0.080 0.000 2.644 741 D HA 0.295 4.945 4.640 0.017 0.000 0.252 741 D C 1.457 177.782 176.300 0.042 0.000 1.254 741 D CA 0.695 54.724 54.000 0.049 0.000 0.884 741 D CB -0.168 40.641 40.800 0.014 0.000 1.034 741 D HN 0.349 nan 8.370 nan 0.000 0.473 742 G N -0.124 108.716 108.800 0.068 0.000 2.141 742 G HA2 -0.238 3.733 3.960 0.017 0.000 0.195 742 G HA3 -0.238 3.733 3.960 0.017 0.000 0.195 742 G C -0.228 174.693 174.900 0.035 0.000 1.012 742 G CA -0.308 44.817 45.100 0.042 0.000 0.696 742 G HN 0.452 nan 8.290 nan 0.000 0.508 743 D N 0.224 120.654 120.400 0.050 0.000 2.361 743 D HA 0.340 4.990 4.640 0.017 0.000 0.239 743 D C 0.432 176.745 176.300 0.021 0.000 1.200 743 D CA 0.549 54.565 54.000 0.027 0.000 0.915 743 D CB 0.499 41.308 40.800 0.015 0.000 1.170 743 D HN 0.363 nan 8.370 nan 0.000 0.444 744 Q N 1.408 121.211 119.800 0.004 0.000 2.321 744 Q HA 0.382 4.733 4.340 0.017 0.000 0.270 744 Q C -0.792 175.194 176.000 -0.024 0.000 1.032 744 Q CA -0.580 55.216 55.803 -0.011 0.000 0.784 744 Q CB 2.496 31.228 28.738 -0.010 0.000 1.264 744 Q HN 0.352 nan 8.270 nan 0.000 0.448 745 M N 1.758 121.328 119.600 -0.049 0.000 2.294 745 M HA 0.558 5.049 4.480 0.017 0.000 0.335 745 M C -0.938 175.321 176.300 -0.068 0.000 1.079 745 M CA -0.259 55.001 55.300 -0.067 0.000 0.982 745 M CB 1.728 34.245 32.600 -0.138 0.000 1.651 745 M HN 0.736 nan 8.290 nan 0.000 0.437 746 A N 3.540 126.321 122.820 -0.065 0.000 2.304 746 A HA 0.695 5.025 4.320 0.017 0.000 0.301 746 A C -0.892 176.561 177.584 -0.218 0.000 1.132 746 A CA -0.639 51.314 52.037 -0.140 0.000 0.819 746 A CB 0.960 19.867 19.000 -0.155 0.000 1.094 746 A HN 0.733 nan 8.150 nan 0.000 0.492 747 V N 2.966 122.718 119.914 -0.270 0.000 2.850 747 V HA 0.677 4.807 4.120 0.017 0.000 0.315 747 V C -0.675 175.159 176.094 -0.432 0.000 1.064 747 V CA -0.469 61.701 62.300 -0.218 0.000 0.979 747 V CB 1.640 33.422 31.823 -0.069 0.000 1.039 747 V HN 0.991 nan 8.190 nan 0.000 0.452 748 H N 2.557 121.658 119.070 0.052 0.000 2.946 748 H HA 0.685 5.252 4.556 0.017 0.000 0.365 748 H C -1.392 173.939 175.328 0.004 0.000 1.197 748 H CA -0.411 55.659 56.048 0.037 0.000 1.131 748 H CB 2.188 31.980 29.762 0.049 0.000 1.849 748 H HN 0.539 nan 8.280 nan 0.000 0.555 749 V N 2.276 122.266 119.914 0.127 0.000 2.638 749 V HA 0.286 4.417 4.120 0.017 0.000 0.306 749 V C -2.267 173.832 176.094 0.008 0.000 1.052 749 V CA -1.636 60.650 62.300 -0.024 0.000 0.885 749 V CB 1.983 33.659 31.823 -0.244 0.000 0.999 749 V HN 0.589 nan 8.190 nan 0.000 0.424 750 P HA 0.375 nan 4.420 nan 0.000 0.282 750 P C 0.200 177.519 177.300 0.032 0.000 1.274 750 P CA -0.171 62.947 63.100 0.031 0.000 0.770 750 P CB 1.970 33.693 31.700 0.038 0.000 0.867 751 L N 2.321 123.580 121.223 0.060 0.000 2.129 751 L HA 0.002 4.353 4.340 0.017 0.000 0.200 751 L C 1.261 178.212 176.870 0.135 0.000 1.159 751 L CA 0.536 55.435 54.840 0.099 0.000 0.795 751 L CB -1.015 41.074 42.059 0.051 0.000 0.951 751 L HN 0.391 nan 8.230 nan 0.000 0.463 752 S N -0.279 115.488 115.700 0.113 0.000 2.558 752 S HA -0.130 4.350 4.470 0.017 0.000 0.293 752 S C 1.088 175.773 174.600 0.143 0.000 1.292 752 S CA 0.258 58.538 58.200 0.134 0.000 1.063 752 S CB 0.917 64.210 63.200 0.155 0.000 0.831 752 S HN 0.331 nan 8.310 nan 0.000 0.499 753 S N 1.779 117.549 115.700 0.115 0.000 2.559 753 S HA -0.109 4.371 4.470 0.017 0.000 0.250 753 S C 0.929 175.532 174.600 0.006 0.000 0.977 753 S CA 0.779 59.010 58.200 0.053 0.000 0.958 753 S CB -0.780 62.426 63.200 0.011 0.000 0.751 753 S HN 0.699 nan 8.310 nan 0.000 0.534 754 F N 1.178 121.136 119.950 0.013 0.000 2.123 754 F HA 0.189 4.727 4.527 0.017 0.000 0.289 754 F C 2.485 178.280 175.800 -0.007 0.000 1.099 754 F CA 0.967 58.965 58.000 -0.002 0.000 1.234 754 F CB -0.581 38.415 39.000 -0.007 0.000 1.034 754 F HN 0.285 nan 8.300 nan 0.000 0.479 755 A N -0.590 122.373 122.820 0.238 0.000 1.933 755 A HA -0.261 4.069 4.320 0.017 0.000 0.218 755 A C 1.922 179.553 177.584 0.079 0.000 1.175 755 A CA 1.768 53.883 52.037 0.130 0.000 0.628 755 A CB -0.887 18.168 19.000 0.090 0.000 0.814 755 A HN 0.473 nan 8.150 nan 0.000 0.444 756 Q N -0.303 119.538 119.800 0.070 0.000 2.291 756 Q HA 0.043 4.393 4.340 0.017 0.000 0.206 756 Q C 1.604 177.613 176.000 0.016 0.000 0.976 756 Q CA 1.647 57.475 55.803 0.041 0.000 0.875 756 Q CB -0.386 28.377 28.738 0.042 0.000 0.927 756 Q HN 0.563 nan 8.270 nan 0.000 0.450 757 A N -0.065 122.756 122.820 0.001 0.000 2.308 757 A HA 0.090 4.421 4.320 0.017 0.000 0.217 757 A C 1.191 178.757 177.584 -0.029 0.000 1.216 757 A CA 0.530 52.542 52.037 -0.041 0.000 0.864 757 A CB -0.056 18.871 19.000 -0.121 0.000 0.902 757 A HN 0.563 nan 8.150 nan 0.000 0.499 758 E N -1.725 118.482 120.200 0.012 0.000 2.562 758 E HA 0.509 4.869 4.350 0.017 0.000 0.214 758 E C 1.167 177.760 176.600 -0.011 0.000 0.979 758 E CA 0.589 56.993 56.400 0.006 0.000 1.002 758 E CB 0.233 29.968 29.700 0.058 0.000 1.048 758 E HN 0.226 nan 8.360 nan 0.000 0.488 759 A N 2.041 124.861 122.820 -0.000 0.000 1.956 759 A HA 0.054 4.384 4.320 0.017 0.000 0.212 759 A C 2.115 179.698 177.584 -0.000 0.000 1.188 759 A CA 0.564 52.601 52.037 0.001 0.000 0.675 759 A CB -0.215 18.798 19.000 0.021 0.000 0.845 759 A HN 0.240 nan 8.150 nan 0.000 0.455 760 R N -0.754 119.749 120.500 0.006 0.000 2.334 760 R HA 0.413 4.763 4.340 0.017 0.000 0.216 760 R C 0.919 177.216 176.300 -0.005 0.000 0.905 760 R CA 0.544 56.668 56.100 0.040 0.000 1.064 760 R CB -0.178 30.162 30.300 0.067 0.000 1.046 760 R HN 0.488 nan 8.270 nan 0.000 0.508 761 I N 0.978 121.478 120.570 -0.118 0.000 4.049 761 I HA -0.065 4.116 4.170 0.017 0.000 0.237 761 I C 1.924 177.771 176.117 -0.451 0.000 1.076 761 I CA -0.151 60.946 61.300 -0.339 0.000 1.610 761 I CB -0.114 37.745 38.000 -0.235 0.000 1.544 761 I HN 0.032 nan 8.210 nan 0.000 0.458 762 Q N 1.080 120.738 119.800 -0.237 0.000 2.444 762 Q HA 0.063 4.414 4.340 0.017 0.000 0.206 762 Q C 1.590 177.530 176.000 -0.100 0.000 0.948 762 Q CA 0.802 56.502 55.803 -0.172 0.000 0.946 762 Q CB 0.288 28.959 28.738 -0.111 0.000 1.027 762 Q HN 0.559 nan 8.270 nan 0.000 0.513 763 M N -0.055 119.497 119.600 -0.080 0.000 2.279 763 M HA 0.294 4.785 4.480 0.017 0.000 0.299 763 M C -0.387 175.872 176.300 -0.069 0.000 0.970 763 M CA -0.479 54.784 55.300 -0.063 0.000 1.065 763 M CB 0.944 33.512 32.600 -0.052 0.000 1.669 763 M HN 0.287 nan 8.290 nan 0.000 0.582 764 L N 1.440 122.656 121.223 -0.011 0.000 2.514 764 L HA 0.037 4.387 4.340 0.017 0.000 0.280 764 L C 1.369 178.189 176.870 -0.084 0.000 1.223 764 L CA 0.684 55.519 54.840 -0.009 0.000 0.864 764 L CB 1.017 43.199 42.059 0.204 0.000 1.118 764 L HN 0.459 nan 8.230 nan 0.000 0.494 765 S N 2.279 117.836 115.700 -0.239 0.000 2.507 765 S HA -0.012 4.469 4.470 0.017 0.000 0.235 765 S C 1.173 175.690 174.600 -0.140 0.000 0.988 765 S CA 0.428 58.504 58.200 -0.208 0.000 0.944 765 S CB -0.389 62.656 63.200 -0.258 0.000 0.762 765 S HN 0.760 nan 8.310 nan 0.000 0.526 766 A N 0.303 123.001 122.820 -0.203 0.000 2.460 766 A HA 0.349 4.679 4.320 0.017 0.000 0.258 766 A C 1.185 178.452 177.584 -0.528 0.000 1.300 766 A CA -0.313 51.522 52.037 -0.338 0.000 0.913 766 A CB -0.232 18.527 19.000 -0.401 0.000 1.031 766 A HN 0.612 nan 8.150 nan 0.000 0.512 767 H N -0.965 118.007 119.070 -0.163 0.000 3.255 767 H HA 0.205 4.772 4.556 0.018 0.000 0.256 767 H C -0.200 175.063 175.328 -0.109 0.000 1.049 767 H CA -0.027 55.932 56.048 -0.148 0.000 1.202 767 H CB 0.519 30.208 29.762 -0.122 0.000 1.497 767 H HN 0.461 nan 8.280 nan 0.000 0.503 768 N N 1.605 120.301 118.700 -0.006 0.000 2.898 768 N HA 0.194 4.945 4.740 0.017 0.000 0.245 768 N C 0.389 175.888 175.510 -0.019 0.000 1.185 768 N CA -0.018 53.032 53.050 -0.001 0.000 0.879 768 N CB 1.146 39.626 38.487 -0.011 0.000 1.157 768 N HN 0.069 nan 8.380 nan 0.000 0.503 769 L N 0.689 121.901 121.223 -0.019 0.000 2.513 769 L HA 0.307 4.658 4.340 0.017 0.000 0.222 769 L C 0.282 177.195 176.870 0.071 0.000 1.096 769 L CA 0.530 55.363 54.840 -0.012 0.000 0.857 769 L CB 0.158 42.158 42.059 -0.099 0.000 1.026 769 L HN 0.241 nan 8.230 nan 0.000 0.469 770 L N -0.740 120.554 121.223 0.118 0.000 2.334 770 L HA 0.374 4.725 4.340 0.017 0.000 0.272 770 L C 0.419 177.360 176.870 0.119 0.000 1.020 770 L CA -0.447 54.477 54.840 0.140 0.000 0.812 770 L CB 1.901 44.060 42.059 0.167 0.000 1.264 770 L HN -0.127 nan 8.230 nan 0.000 0.439 771 S N 1.528 117.303 115.700 0.125 0.000 2.505 771 S HA 0.257 4.737 4.470 0.017 0.000 0.276 771 S C -1.783 172.883 174.600 0.109 0.000 1.274 771 S CA -1.134 57.130 58.200 0.106 0.000 1.053 771 S CB 0.882 64.132 63.200 0.082 0.000 0.919 771 S HN 0.375 nan 8.310 nan 0.000 0.490 772 P HA 0.072 nan 4.420 nan 0.000 0.234 772 P C 0.150 177.562 177.300 0.187 0.000 1.162 772 P CA 0.639 63.807 63.100 0.114 0.000 0.759 772 P CB 0.074 31.812 31.700 0.063 0.000 0.813 773 A N -1.436 121.474 122.820 0.150 0.000 2.609 773 A HA 0.509 4.839 4.320 0.017 0.000 0.286 773 A C 0.021 177.758 177.584 0.254 0.000 1.138 773 A CA 0.097 52.279 52.037 0.241 0.000 0.960 773 A CB 0.149 19.175 19.000 0.043 0.000 1.208 773 A HN 0.125 nan 8.150 nan 0.000 0.541 774 S N -2.913 112.924 115.700 0.228 0.000 2.669 774 S HA 0.393 4.874 4.470 0.017 0.000 0.304 774 S C 0.809 175.574 174.600 0.276 0.000 1.021 774 S CA -0.010 58.335 58.200 0.243 0.000 0.854 774 S CB 0.368 63.678 63.200 0.183 0.000 1.048 774 S HN 1.065 nan 8.310 nan 0.000 0.452 775 G N 1.396 110.452 108.800 0.426 0.000 2.507 775 G HA2 -0.103 3.868 3.960 0.017 0.000 0.221 775 G HA3 -0.103 3.868 3.960 0.017 0.000 0.221 775 G C 0.392 175.535 174.900 0.406 0.000 1.119 775 G CA 0.834 46.271 45.100 0.560 0.000 0.751 775 G HN 0.899 nan 8.290 nan 0.000 0.574 776 E N 1.240 121.648 120.200 0.348 0.000 2.892 776 E HA -0.029 4.332 4.350 0.017 0.000 0.273 776 E C -2.318 174.419 176.600 0.228 0.000 0.921 776 E CA -0.815 55.751 56.400 0.275 0.000 0.968 776 E CB -0.314 29.497 29.700 0.186 0.000 0.941 776 E HN 0.170 nan 8.360 nan 0.000 0.492 777 P HA 0.001 nan 4.420 nan 0.000 0.271 777 P C 0.456 177.841 177.300 0.143 0.000 1.226 777 P CA -0.208 62.999 63.100 0.179 0.000 0.765 777 P CB 0.536 32.351 31.700 0.192 0.000 0.835 778 L N 4.402 125.700 121.223 0.125 0.000 2.202 778 L HA 0.257 4.608 4.340 0.017 0.000 0.205 778 L C 0.776 177.709 176.870 0.104 0.000 1.083 778 L CA 1.098 56.006 54.840 0.114 0.000 0.790 778 L CB -0.883 41.244 42.059 0.113 0.000 0.942 778 L HN 0.263 nan 8.230 nan 0.000 0.452 779 A N 1.364 124.236 122.820 0.086 0.000 2.252 779 A HA 0.625 4.955 4.320 0.017 0.000 0.309 779 A C -0.354 177.275 177.584 0.075 0.000 1.285 779 A CA -0.413 51.667 52.037 0.072 0.000 0.900 779 A CB 0.093 19.111 19.000 0.029 0.000 1.157 779 A HN 0.206 nan 8.150 nan 0.000 0.536 780 K N 2.000 122.452 120.400 0.088 0.000 2.658 780 K HA 0.430 4.761 4.320 0.017 0.000 0.293 780 K C -3.603 173.050 176.600 0.089 0.000 1.026 780 K CA -1.585 54.754 56.287 0.086 0.000 0.871 780 K CB -0.027 32.533 32.500 0.099 0.000 1.524 780 K HN 0.205 nan 8.250 nan 0.000 0.400 781 P HA 0.161 nan 4.420 nan 0.000 0.264 781 P C -0.447 176.905 177.300 0.086 0.000 1.193 781 P CA 0.307 63.445 63.100 0.064 0.000 0.763 781 P CB 0.840 32.579 31.700 0.065 0.000 0.810 782 S N 2.632 118.390 115.700 0.096 0.000 3.169 782 S HA 0.219 4.700 4.470 0.017 0.000 0.174 782 S C 1.427 176.091 174.600 0.108 0.000 0.696 782 S CA -0.108 58.155 58.200 0.105 0.000 0.819 782 S CB 0.020 63.290 63.200 0.117 0.000 0.867 782 S HN 0.349 nan 8.310 nan 0.000 0.680 783 R N 1.206 121.787 120.500 0.134 0.000 2.023 783 R HA 0.145 4.496 4.340 0.017 0.000 0.217 783 R C 1.494 177.886 176.300 0.153 0.000 1.255 783 R CA 1.404 57.579 56.100 0.125 0.000 0.981 783 R CB -0.579 29.788 30.300 0.111 0.000 0.853 783 R HN 0.277 nan 8.270 nan 0.000 0.463 784 D N 0.503 121.040 120.400 0.229 0.000 2.312 784 D HA -0.043 4.608 4.640 0.017 0.000 0.211 784 D C 1.619 178.087 176.300 0.280 0.000 0.964 784 D CA 0.778 54.936 54.000 0.263 0.000 0.877 784 D CB 0.048 41.045 40.800 0.329 0.000 0.924 784 D HN 0.202 nan 8.370 nan 0.000 0.515 785 I N 0.009 120.705 120.570 0.209 0.000 2.500 785 I HA -0.096 4.084 4.170 0.017 0.000 0.252 785 I C 2.028 178.227 176.117 0.137 0.000 1.142 785 I CA 0.548 61.885 61.300 0.062 0.000 1.451 785 I CB 0.103 38.013 38.000 -0.150 0.000 1.093 785 I HN -0.001 nan 8.210 nan 0.000 0.430 786 I N -0.273 120.383 120.570 0.144 0.000 2.206 786 I HA -0.244 3.937 4.170 0.017 0.000 0.239 786 I C 2.418 178.656 176.117 0.201 0.000 1.078 786 I CA 0.844 62.240 61.300 0.160 0.000 1.367 786 I CB -0.201 37.865 38.000 0.111 0.000 1.078 786 I HN 0.164 nan 8.210 nan 0.000 0.413 787 L N 1.310 122.627 121.223 0.158 0.000 2.064 787 L HA -0.217 4.134 4.340 0.017 0.000 0.216 787 L C 2.219 179.260 176.870 0.284 0.000 1.077 787 L CA 2.353 57.293 54.840 0.167 0.000 0.766 787 L CB -1.388 40.745 42.059 0.124 0.000 0.890 787 L HN 0.271 nan 8.230 nan 0.000 0.435 788 G N -0.908 108.059 108.800 0.279 0.000 2.575 788 G HA2 -0.220 3.750 3.960 0.017 0.000 0.215 788 G HA3 -0.220 3.750 3.960 0.017 0.000 0.215 788 G C 1.507 176.679 174.900 0.453 0.000 1.262 788 G CA 0.757 46.074 45.100 0.363 0.000 0.807 788 G HN 0.405 nan 8.290 nan 0.000 0.567 789 L N -0.457 121.014 121.223 0.412 0.000 2.283 789 L HA -0.188 4.162 4.340 0.017 0.000 0.217 789 L C 2.501 179.550 176.870 0.299 0.000 1.104 789 L CA 1.428 56.517 54.840 0.416 0.000 0.772 789 L CB -0.586 41.704 42.059 0.385 0.000 0.899 789 L HN 0.380 nan 8.230 nan 0.000 0.439 790 Y N -0.308 120.098 120.300 0.176 0.000 2.174 790 Y HA -0.269 4.298 4.550 0.027 0.000 0.273 790 Y C 2.665 178.663 175.900 0.163 0.000 1.087 790 Y CA 1.169 59.333 58.100 0.106 0.000 1.078 790 Y CB -0.837 37.686 38.460 0.105 0.000 1.010 790 Y HN -0.107 nan 8.280 nan 0.000 0.478 791 Y N 0.873 121.452 120.300 0.466 0.000 1.949 791 Y HA -0.483 4.074 4.550 0.013 0.000 0.232 791 Y C 2.742 178.717 175.900 0.127 0.000 1.205 791 Y CA 2.655 60.953 58.100 0.331 0.000 1.037 791 Y CB -1.107 37.537 38.460 0.308 0.000 0.849 791 Y HN 0.446 nan 8.280 nan 0.000 0.517 792 I N -0.215 120.520 120.570 0.276 0.000 2.143 792 I HA -0.294 3.886 4.170 0.017 0.000 0.245 792 I C 0.943 177.042 176.117 -0.031 0.000 1.068 792 I CA 2.147 63.457 61.300 0.017 0.000 1.326 792 I CB -0.499 37.368 38.000 -0.221 0.000 1.028 792 I HN 0.490 nan 8.210 nan 0.000 0.412 793 T N 0.796 115.310 114.554 -0.068 0.000 2.992 793 T HA 0.415 4.775 4.350 0.017 0.000 0.299 793 T C -0.267 174.263 174.700 -0.283 0.000 1.027 793 T CA -0.462 61.532 62.100 -0.177 0.000 1.001 793 T CB 1.044 69.732 68.868 -0.299 0.000 1.005 793 T HN 0.456 nan 8.240 nan 0.000 0.599 794 Q N 1.660 121.342 119.800 -0.197 0.000 2.907 794 Q HA 0.492 4.842 4.340 0.017 0.000 0.310 794 Q C -2.077 173.872 176.000 -0.085 0.000 0.861 794 Q CA -0.836 54.828 55.803 -0.231 0.000 0.769 794 Q CB 2.480 31.021 28.738 -0.328 0.000 1.465 794 Q HN 0.565 nan 8.270 nan 0.000 0.449 795 V N 1.979 121.855 119.914 -0.062 0.000 2.655 795 V HA 0.407 4.537 4.120 0.017 0.000 0.301 795 V C -0.030 176.113 176.094 0.083 0.000 1.082 795 V CA -0.963 61.352 62.300 0.024 0.000 0.899 795 V CB 1.684 33.505 31.823 -0.003 0.000 1.014 795 V HN 0.765 nan 8.190 nan 0.000 0.429 796 R N 3.278 123.893 120.500 0.192 0.000 2.822 796 R HA 0.593 4.943 4.340 0.017 0.000 0.277 796 R C -0.834 175.541 176.300 0.126 0.000 1.102 796 R CA -0.542 55.714 56.100 0.259 0.000 1.207 796 R CB 0.810 31.258 30.300 0.247 0.000 1.139 796 R HN 0.635 nan 8.270 nan 0.000 0.557 797 K N -0.545 119.931 120.400 0.127 0.000 2.523 797 K HA 0.293 4.623 4.320 0.017 0.000 0.257 797 K C -1.024 175.620 176.600 0.074 0.000 0.932 797 K CA -0.616 55.713 56.287 0.070 0.000 0.812 797 K CB 2.658 35.183 32.500 0.042 0.000 1.326 797 K HN 0.733 nan 8.250 nan 0.000 0.433 798 E N 1.018 121.247 120.200 0.049 0.000 2.310 798 E HA 0.189 4.549 4.350 0.017 0.000 0.243 798 E C -1.263 175.355 176.600 0.029 0.000 1.027 798 E CA -0.821 55.606 56.400 0.045 0.000 0.887 798 E CB 1.586 31.315 29.700 0.048 0.000 1.828 798 E HN 0.430 nan 8.360 nan 0.000 0.456 799 K N 1.268 121.685 120.400 0.029 0.000 2.620 799 K HA -0.157 4.173 4.320 0.017 0.000 0.278 799 K C -0.844 175.769 176.600 0.021 0.000 0.967 799 K CA 1.115 57.416 56.287 0.023 0.000 1.017 799 K CB 0.337 32.853 32.500 0.026 0.000 0.853 799 K HN 0.309 nan 8.250 nan 0.000 0.504 800 K N 2.509 122.920 120.400 0.020 0.000 2.764 800 K HA 0.183 4.513 4.320 0.017 0.000 0.239 800 K C -0.062 176.553 176.600 0.025 0.000 1.048 800 K CA -0.305 55.995 56.287 0.022 0.000 1.057 800 K CB 1.001 33.511 32.500 0.016 0.000 1.251 800 K HN 0.838 nan 8.250 nan 0.000 0.524 801 G N 1.251 110.070 108.800 0.033 0.000 2.729 801 G HA2 0.190 4.160 3.960 0.017 0.000 0.211 801 G HA3 0.190 4.160 3.960 0.017 0.000 0.211 801 G C 0.095 175.019 174.900 0.040 0.000 1.182 801 G CA 0.156 45.274 45.100 0.031 0.000 0.851 801 G HN 0.536 nan 8.290 nan 0.000 0.607 802 A N 0.834 123.690 122.820 0.060 0.000 2.362 802 A HA 0.582 4.912 4.320 0.017 0.000 0.276 802 A C 0.885 178.536 177.584 0.112 0.000 1.153 802 A CA 0.248 52.333 52.037 0.080 0.000 0.813 802 A CB 0.263 19.321 19.000 0.096 0.000 1.081 802 A HN 0.786 nan 8.150 nan 0.000 0.507 803 G N 2.082 110.936 108.800 0.090 0.000 2.363 803 G HA2 0.449 4.420 3.960 0.017 0.000 0.285 803 G HA3 0.449 4.420 3.960 0.017 0.000 0.285 803 G C -0.161 174.826 174.900 0.145 0.000 1.084 803 G CA 0.260 45.414 45.100 0.090 0.000 1.216 803 G HN 1.294 nan 8.290 nan 0.000 0.429 804 L N 0.058 121.347 121.223 0.110 0.000 2.362 804 L HA 0.866 5.216 4.340 0.017 0.000 0.271 804 L C -0.099 176.788 176.870 0.028 0.000 1.002 804 L CA -0.772 54.109 54.840 0.069 0.000 0.818 804 L CB 2.351 44.329 42.059 -0.135 0.000 1.298 804 L HN 0.195 nan 8.230 nan 0.000 0.420 805 E N 2.741 122.967 120.200 0.044 0.000 3.957 805 E HA 0.036 4.397 4.350 0.017 0.000 0.172 805 E C 0.372 176.996 176.600 0.040 0.000 1.032 805 E CA -0.051 56.370 56.400 0.034 0.000 1.491 805 E CB 0.103 29.816 29.700 0.021 0.000 1.151 805 E HN 0.796 nan 8.360 nan 0.000 0.410 806 F N 2.737 122.632 119.950 -0.093 0.000 2.146 806 F HA -0.375 4.164 4.527 0.020 0.000 0.298 806 F C 1.976 177.753 175.800 -0.038 0.000 1.053 806 F CA 2.110 60.062 58.000 -0.080 0.000 1.285 806 F CB -0.082 38.831 39.000 -0.146 0.000 1.039 806 F HN 0.277 nan 8.300 nan 0.000 0.497 807 A N -1.163 121.527 122.820 -0.216 0.000 2.266 807 A HA -0.237 4.093 4.320 0.017 0.000 0.219 807 A C 1.914 179.297 177.584 -0.335 0.000 1.178 807 A CA 2.373 54.252 52.037 -0.264 0.000 0.678 807 A CB -1.033 17.909 19.000 -0.097 0.000 0.789 807 A HN 0.577 nan 8.150 nan 0.000 0.486 808 T N -1.580 112.759 114.554 -0.358 0.000 3.397 808 T HA 0.221 4.582 4.350 0.017 0.000 0.233 808 T C -1.523 173.009 174.700 -0.279 0.000 0.969 808 T CA -0.060 61.887 62.100 -0.255 0.000 1.316 808 T CB -1.187 67.601 68.868 -0.134 0.000 1.175 808 T HN 0.239 nan 8.240 nan 0.000 0.381 809 P HA 0.257 nan 4.420 nan 0.000 0.270 809 P C 0.360 177.588 177.300 -0.120 0.000 1.223 809 P CA 0.111 63.142 63.100 -0.115 0.000 0.785 809 P CB 0.786 32.483 31.700 -0.004 0.000 0.923 810 E N 0.309 120.504 120.200 -0.009 0.000 2.251 810 E HA -0.053 4.308 4.350 0.017 0.000 0.194 810 E C 0.497 177.180 176.600 0.139 0.000 0.964 810 E CA 0.527 56.964 56.400 0.063 0.000 0.868 810 E CB 0.206 29.926 29.700 0.033 0.000 0.828 810 E HN 0.586 nan 8.360 nan 0.000 0.481 811 E N 0.348 120.611 120.200 0.106 0.000 2.368 811 E HA 0.131 4.492 4.350 0.017 0.000 0.188 811 E C 0.828 177.525 176.600 0.162 0.000 1.061 811 E CA -0.132 56.328 56.400 0.100 0.000 0.933 811 E CB 0.654 30.383 29.700 0.047 0.000 1.091 811 E HN 0.088 nan 8.360 nan 0.000 0.458 812 A N 0.655 123.661 122.820 0.310 0.000 2.348 812 A HA 0.103 4.434 4.320 0.017 0.000 0.224 812 A C 1.813 179.816 177.584 0.698 0.000 1.227 812 A CA 0.043 52.436 52.037 0.593 0.000 0.885 812 A CB 0.004 19.312 19.000 0.514 0.000 0.933 812 A HN 0.258 nan 8.150 nan 0.000 0.506 813 L N -3.334 118.175 121.223 0.476 0.000 2.435 813 L HA 0.627 4.977 4.340 0.017 0.000 0.195 813 L C 2.151 179.058 176.870 0.062 0.000 1.072 813 L CA 1.294 56.205 54.840 0.119 0.000 0.833 813 L CB -1.118 41.068 42.059 0.211 0.000 1.081 813 L HN 0.014 nan 8.230 nan 0.000 0.485 814 A N 1.234 124.107 122.820 0.089 0.000 1.836 814 A HA -0.089 4.241 4.320 0.017 0.000 0.215 814 A C 2.453 180.047 177.584 0.016 0.000 1.214 814 A CA 2.697 54.757 52.037 0.037 0.000 0.636 814 A CB -1.596 17.426 19.000 0.036 0.000 0.847 814 A HN 0.676 nan 8.150 nan 0.000 0.451 815 A N -2.509 120.310 122.820 -0.003 0.000 2.178 815 A HA -0.150 4.181 4.320 0.017 0.000 0.218 815 A C 1.980 179.511 177.584 -0.089 0.000 1.157 815 A CA 1.779 53.779 52.037 -0.061 0.000 0.689 815 A CB -0.765 18.170 19.000 -0.107 0.000 0.787 815 A HN 0.719 nan 8.150 nan 0.000 0.465 816 H N -1.163 117.894 119.070 -0.022 0.000 2.388 816 H HA 0.078 4.645 4.556 0.019 0.000 0.304 816 H C 1.942 177.214 175.328 -0.093 0.000 1.049 816 H CA 1.309 57.325 56.048 -0.053 0.000 1.371 816 H CB -0.081 29.640 29.762 -0.067 0.000 1.436 816 H HN 0.652 nan 8.280 nan 0.000 0.544 817 E N 0.783 120.991 120.200 0.012 0.000 2.077 817 E HA -0.142 4.219 4.350 0.017 0.000 0.193 817 E C 2.286 178.865 176.600 -0.035 0.000 0.989 817 E CA 0.631 56.994 56.400 -0.062 0.000 0.800 817 E CB 0.166 29.809 29.700 -0.095 0.000 0.746 817 E HN 0.201 nan 8.360 nan 0.000 0.452 818 R N -0.605 119.883 120.500 -0.019 0.000 2.148 818 R HA -0.075 4.276 4.340 0.017 0.000 0.227 818 R C 2.243 178.537 176.300 -0.009 0.000 1.103 818 R CA 1.020 57.110 56.100 -0.017 0.000 0.983 818 R CB -0.172 30.118 30.300 -0.016 0.000 0.874 818 R HN 0.164 nan 8.270 nan 0.000 0.451 819 G N 0.017 108.818 108.800 0.001 0.000 2.534 819 G HA2 -0.209 3.761 3.960 0.017 0.000 0.217 819 G HA3 -0.209 3.761 3.960 0.017 0.000 0.217 819 G C 1.233 176.144 174.900 0.018 0.000 1.128 819 G CA 0.090 45.197 45.100 0.012 0.000 0.784 819 G HN 0.208 nan 8.290 nan 0.000 0.542 820 E N 0.479 120.682 120.200 0.006 0.000 2.299 820 E HA -0.006 4.355 4.350 0.017 0.000 0.193 820 E C 2.388 178.987 176.600 -0.002 0.000 0.998 820 E CA 0.263 56.661 56.400 -0.004 0.000 0.851 820 E CB 0.176 29.856 29.700 -0.034 0.000 0.795 820 E HN 0.297 nan 8.360 nan 0.000 0.492 821 V N 0.638 120.548 119.914 -0.006 0.000 3.306 821 V HA 0.099 4.230 4.120 0.017 0.000 0.264 821 V C 1.225 177.321 176.094 0.003 0.000 1.149 821 V CA 0.818 63.117 62.300 -0.002 0.000 1.143 821 V CB -0.275 31.543 31.823 -0.007 0.000 0.767 821 V HN 0.175 nan 8.190 nan 0.000 0.476 822 A N -0.221 122.602 122.820 0.004 0.000 2.284 822 A HA 0.720 5.050 4.320 0.017 0.000 0.317 822 A C 0.184 177.775 177.584 0.011 0.000 1.120 822 A CA -0.596 51.444 52.037 0.006 0.000 0.900 822 A CB 0.798 19.799 19.000 0.002 0.000 1.319 822 A HN 0.247 nan 8.150 nan 0.000 0.494 823 L N 0.662 121.892 121.223 0.011 0.000 2.862 823 L HA 0.173 4.523 4.340 0.017 0.000 0.240 823 L C 0.812 177.693 176.870 0.018 0.000 1.283 823 L CA 0.171 55.020 54.840 0.015 0.000 1.117 823 L CB -0.882 41.185 42.059 0.014 0.000 1.444 823 L HN 0.741 nan 8.230 nan 0.000 0.456 824 N N 0.253 118.966 118.700 0.021 0.000 2.529 824 N HA 0.186 4.936 4.740 0.017 0.000 0.231 824 N C 0.435 175.970 175.510 0.042 0.000 1.072 824 N CA 0.214 53.282 53.050 0.029 0.000 0.854 824 N CB 0.639 39.143 38.487 0.027 0.000 1.465 824 N HN 0.220 nan 8.380 nan 0.000 0.452 825 A N 1.591 124.437 122.820 0.045 0.000 2.253 825 A HA 0.591 4.921 4.320 0.017 0.000 0.316 825 A C -2.452 175.142 177.584 0.016 0.000 1.327 825 A CA -1.212 50.851 52.037 0.044 0.000 0.917 825 A CB 0.520 19.563 19.000 0.072 0.000 1.162 825 A HN 0.058 nan 8.150 nan 0.000 0.535 826 P HA 0.254 nan 4.420 nan 0.000 0.282 826 P C 0.652 177.953 177.300 0.001 0.000 1.286 826 P CA -0.335 62.772 63.100 0.013 0.000 0.777 826 P CB 0.555 32.267 31.700 0.019 0.000 1.184 827 I N -1.185 119.395 120.570 0.016 0.000 3.783 827 I HA 0.042 4.223 4.170 0.017 0.000 0.310 827 I C 0.621 176.747 176.117 0.016 0.000 1.274 827 I CA 0.449 61.760 61.300 0.018 0.000 1.294 827 I CB -0.159 37.877 38.000 0.059 0.000 1.051 827 I HN 0.183 nan 8.210 nan 0.000 0.435 828 K N 2.479 122.891 120.400 0.020 0.000 2.540 828 K HA 0.571 4.902 4.320 0.017 0.000 0.218 828 K C -1.079 175.529 176.600 0.013 0.000 1.017 828 K CA -0.256 56.045 56.287 0.023 0.000 1.029 828 K CB 1.425 33.951 32.500 0.043 0.000 1.348 828 K HN -0.131 nan 8.250 nan 0.000 0.508 829 V N 0.287 120.199 119.914 -0.003 0.000 2.914 829 V HA 0.606 4.736 4.120 0.017 0.000 0.314 829 V C -0.134 175.953 176.094 -0.010 0.000 1.084 829 V CA -1.355 60.939 62.300 -0.009 0.000 0.963 829 V CB 2.011 33.819 31.823 -0.025 0.000 1.025 829 V HN 0.667 nan 8.190 nan 0.000 0.432 830 A N 1.730 124.547 122.820 -0.004 0.000 2.539 830 A HA 0.627 4.957 4.320 0.017 0.000 0.306 830 A C 0.845 178.427 177.584 -0.003 0.000 1.392 830 A CA 0.486 52.523 52.037 -0.001 0.000 1.060 830 A CB -0.564 18.438 19.000 0.004 0.000 1.134 830 A HN 1.406 nan 8.150 nan 0.000 0.542 831 G N 1.462 110.262 108.800 -0.001 0.000 4.908 831 G HA2 0.356 4.326 3.960 0.017 0.000 0.267 831 G HA3 0.356 4.326 3.960 0.017 0.000 0.267 831 G C 0.737 175.654 174.900 0.027 0.000 0.958 831 G CA 0.290 45.396 45.100 0.011 0.000 0.743 831 G HN 0.735 nan 8.290 nan 0.000 0.410 832 R N 0.733 121.242 120.500 0.015 0.000 3.570 832 R HA -0.366 3.984 4.340 0.017 0.000 0.400 832 R C 1.832 178.145 176.300 0.021 0.000 0.601 832 R CA 3.018 59.126 56.100 0.013 0.000 0.561 832 R CB -1.350 28.955 30.300 0.007 0.000 0.620 832 R HN 0.456 nan 8.270 nan 0.000 0.312 833 E N -0.830 119.386 120.200 0.027 0.000 2.019 833 E HA -0.145 4.216 4.350 0.017 0.000 0.208 833 E C -0.098 176.537 176.600 0.059 0.000 1.030 833 E CA 2.224 58.645 56.400 0.036 0.000 0.856 833 E CB -0.144 29.573 29.700 0.029 0.000 0.781 833 E HN 0.698 nan 8.360 nan 0.000 0.471 834 T N -1.352 113.271 114.554 0.114 0.000 2.991 834 T HA 0.432 4.792 4.350 0.017 0.000 0.303 834 T C -0.579 174.142 174.700 0.035 0.000 1.015 834 T CA -0.734 61.421 62.100 0.091 0.000 1.007 834 T CB 1.677 70.629 68.868 0.140 0.000 1.034 834 T HN 0.153 nan 8.240 nan 0.000 0.446 835 S N 1.726 117.403 115.700 -0.038 0.000 2.632 835 S HA 0.331 4.812 4.470 0.017 0.000 0.271 835 S C 1.716 176.210 174.600 -0.177 0.000 1.260 835 S CA -0.180 57.961 58.200 -0.100 0.000 1.010 835 S CB 1.245 64.409 63.200 -0.059 0.000 0.965 835 S HN 1.159 nan 8.310 nan 0.000 0.534 836 V N 4.976 124.749 119.914 -0.234 0.000 2.370 836 V HA -0.104 4.027 4.120 0.017 0.000 0.252 836 V C 2.058 178.037 176.094 -0.192 0.000 1.068 836 V CA 2.996 65.139 62.300 -0.261 0.000 1.061 836 V CB -1.416 30.288 31.823 -0.199 0.000 0.656 836 V HN 1.032 nan 8.190 nan 0.000 0.455 837 G N -0.693 108.037 108.800 -0.117 0.000 2.442 837 G HA2 -0.305 3.665 3.960 0.017 0.000 0.219 837 G HA3 -0.305 3.665 3.960 0.017 0.000 0.219 837 G C 1.729 176.579 174.900 -0.083 0.000 1.141 837 G CA 0.795 45.853 45.100 -0.070 0.000 0.763 837 G HN 0.534 nan 8.290 nan 0.000 0.554 838 R N -0.228 120.220 120.500 -0.086 0.000 2.316 838 R HA 0.207 4.557 4.340 0.017 0.000 0.202 838 R C 2.030 178.256 176.300 -0.124 0.000 1.029 838 R CA 0.254 56.306 56.100 -0.081 0.000 1.018 838 R CB -0.143 30.127 30.300 -0.051 0.000 0.888 838 R HN 0.388 nan 8.270 nan 0.000 0.471 839 L N -0.421 120.696 121.223 -0.178 0.000 2.298 839 L HA 0.009 4.360 4.340 0.017 0.000 0.209 839 L C 2.353 179.082 176.870 -0.235 0.000 1.084 839 L CA 0.596 55.318 54.840 -0.196 0.000 0.816 839 L CB -0.145 41.754 42.059 -0.266 0.000 0.967 839 L HN 0.082 nan 8.230 nan 0.000 0.460 840 K N 0.086 120.283 120.400 -0.339 0.000 2.001 840 K HA -0.098 4.233 4.320 0.017 0.000 0.208 840 K C -0.267 175.960 176.600 -0.623 0.000 1.048 840 K CA 1.143 57.087 56.287 -0.572 0.000 0.932 840 K CB 0.109 32.076 32.500 -0.888 0.000 0.715 840 K HN 0.072 nan 8.250 nan 0.000 0.437 841 Y N 0.086 120.325 120.300 -0.102 0.000 2.335 841 Y HA 0.404 4.974 4.550 0.034 0.000 0.338 841 Y C -0.845 174.747 175.900 -0.513 0.000 0.977 841 Y CA -1.268 56.716 58.100 -0.194 0.000 1.114 841 Y CB 1.931 40.329 38.460 -0.104 0.000 1.182 841 Y HN -0.334 nan 8.280 nan 0.000 0.463 842 V N 5.076 124.812 119.914 -0.296 0.000 2.447 842 V HA 0.369 4.500 4.120 0.017 0.000 0.292 842 V C -0.843 175.192 176.094 -0.098 0.000 1.021 842 V CA -1.196 60.928 62.300 -0.293 0.000 0.850 842 V CB 0.690 32.461 31.823 -0.087 0.000 1.005 842 V HN 0.608 nan 8.190 nan 0.000 0.426 843 F N 2.259 122.243 119.950 0.057 0.000 2.420 843 F HA 0.642 5.155 4.527 -0.024 0.000 0.342 843 F C 1.411 177.221 175.800 0.016 0.000 1.113 843 F CA -0.682 57.337 58.000 0.032 0.000 1.059 843 F CB 1.852 40.864 39.000 0.020 0.000 1.128 843 F HN 0.580 nan 8.300 nan 0.000 0.475 844 A N 3.042 125.982 122.820 0.200 0.000 1.827 844 A HA -0.146 4.184 4.320 0.017 0.000 0.215 844 A C 0.690 178.320 177.584 0.076 0.000 1.212 844 A CA 1.323 53.422 52.037 0.104 0.000 0.624 844 A CB -0.542 18.503 19.000 0.074 0.000 0.853 844 A HN 0.716 nan 8.150 nan 0.000 0.450 845 N N -0.569 118.164 118.700 0.054 0.000 2.509 845 N HA 0.407 5.158 4.740 0.017 0.000 0.287 845 N C -2.154 173.349 175.510 -0.010 0.000 1.121 845 N CA -1.869 51.188 53.050 0.011 0.000 0.977 845 N CB 1.139 39.627 38.487 0.002 0.000 1.167 845 N HN -0.095 nan 8.380 nan 0.000 0.476 846 P HA -0.185 nan 4.420 nan 0.000 0.218 846 P C -0.109 177.154 177.300 -0.062 0.000 1.150 846 P CA 1.425 64.433 63.100 -0.154 0.000 0.841 846 P CB 0.277 31.765 31.700 -0.353 0.000 0.784 847 D N -0.779 119.592 120.400 -0.048 0.000 2.084 847 D HA -0.148 4.503 4.640 0.017 0.000 0.196 847 D C 1.867 178.129 176.300 -0.062 0.000 0.985 847 D CA 0.962 54.939 54.000 -0.038 0.000 0.826 847 D CB -0.661 40.122 40.800 -0.028 0.000 0.978 847 D HN 0.277 nan 8.370 nan 0.000 0.456 848 E N 0.607 120.766 120.200 -0.068 0.000 2.208 848 E HA -0.282 4.079 4.350 0.017 0.000 0.202 848 E C 2.082 178.480 176.600 -0.337 0.000 1.014 848 E CA 0.994 57.295 56.400 -0.165 0.000 0.819 848 E CB -0.238 29.415 29.700 -0.079 0.000 0.735 848 E HN 0.299 nan 8.360 nan 0.000 0.469 849 A N 0.514 123.286 122.820 -0.079 0.000 2.024 849 A HA -0.152 4.179 4.320 0.017 0.000 0.220 849 A C 2.049 179.585 177.584 -0.080 0.000 1.164 849 A CA 1.195 53.288 52.037 0.095 0.000 0.643 849 A CB -0.229 18.919 19.000 0.248 0.000 0.806 849 A HN 0.145 nan 8.150 nan 0.000 0.451 850 L N -1.758 119.402 121.223 -0.104 0.000 2.515 850 L HA 0.217 4.567 4.340 0.017 0.000 0.223 850 L C 2.163 178.972 176.870 -0.103 0.000 1.079 850 L CA 0.123 54.919 54.840 -0.072 0.000 0.857 850 L CB -0.073 41.978 42.059 -0.014 0.000 1.050 850 L HN 0.284 nan 8.230 nan 0.000 0.476 851 L N -0.176 120.960 121.223 -0.146 0.000 2.131 851 L HA -0.175 4.175 4.340 0.017 0.000 0.210 851 L C 2.705 179.504 176.870 -0.119 0.000 1.092 851 L CA 1.142 55.926 54.840 -0.094 0.000 0.759 851 L CB -0.354 41.633 42.059 -0.119 0.000 0.903 851 L HN 0.306 nan 8.230 nan 0.000 0.435 852 A N -0.775 121.857 122.820 -0.314 0.000 2.024 852 A HA -0.153 4.177 4.320 0.017 0.000 0.220 852 A C 2.167 179.644 177.584 -0.179 0.000 1.164 852 A CA 1.748 53.573 52.037 -0.354 0.000 0.643 852 A CB -0.573 17.971 19.000 -0.761 0.000 0.806 852 A HN 0.278 nan 8.150 nan 0.000 0.451 853 V N -0.784 119.056 119.914 -0.124 0.000 2.649 853 V HA -0.079 4.051 4.120 0.017 0.000 0.248 853 V C 2.907 178.975 176.094 -0.043 0.000 1.054 853 V CA 1.459 63.720 62.300 -0.066 0.000 1.073 853 V CB -0.916 30.883 31.823 -0.041 0.000 0.699 853 V HN 0.573 nan 8.190 nan 0.000 0.463 854 A N -1.247 121.556 122.820 -0.028 0.000 1.929 854 A HA -0.174 4.157 4.320 0.017 0.000 0.216 854 A C 1.918 179.453 177.584 -0.082 0.000 1.176 854 A CA 1.151 53.166 52.037 -0.036 0.000 0.628 854 A CB -0.629 18.365 19.000 -0.009 0.000 0.816 854 A HN 0.633 nan 8.150 nan 0.000 0.444 855 H N -0.842 118.177 119.070 -0.085 0.000 2.592 855 H HA 0.221 4.784 4.556 0.011 0.000 0.291 855 H C 1.568 176.855 175.328 -0.068 0.000 1.052 855 H CA 0.472 56.476 56.048 -0.074 0.000 1.175 855 H CB -0.243 29.468 29.762 -0.085 0.000 1.378 855 H HN 0.632 nan 8.280 nan 0.000 0.576 856 G N 1.203 109.996 108.800 -0.011 0.000 2.175 856 G HA2 -0.278 3.692 3.960 0.017 0.000 0.265 856 G HA3 -0.278 3.692 3.960 0.017 0.000 0.265 856 G C 1.060 175.942 174.900 -0.029 0.000 0.979 856 G CA 0.596 45.685 45.100 -0.019 0.000 0.663 856 G HN 0.378 nan 8.290 nan 0.000 0.533 857 I N -0.620 119.910 120.570 -0.067 0.000 2.867 857 I HA 0.236 4.417 4.170 0.017 0.000 0.265 857 I C 1.024 176.952 176.117 -0.314 0.000 1.162 857 I CA 0.677 61.872 61.300 -0.175 0.000 1.471 857 I CB -0.360 37.507 38.000 -0.221 0.000 1.123 857 I HN 0.068 nan 8.210 nan 0.000 0.440 858 V N 1.396 121.188 119.914 -0.204 0.000 2.733 858 V HA 0.283 4.414 4.120 0.017 0.000 0.306 858 V C -1.037 175.023 176.094 -0.055 0.000 1.084 858 V CA -1.092 61.118 62.300 -0.150 0.000 0.905 858 V CB 2.467 34.241 31.823 -0.082 0.000 1.010 858 V HN 0.033 nan 8.190 nan 0.000 0.424 859 D N 2.255 122.641 120.400 -0.024 0.000 2.358 859 D HA 0.387 5.038 4.640 0.017 0.000 0.244 859 D C 0.925 177.226 176.300 0.002 0.000 1.163 859 D CA -0.327 53.666 54.000 -0.012 0.000 0.945 859 D CB 1.219 42.014 40.800 -0.010 0.000 1.152 859 D HN 0.350 nan 8.370 nan 0.000 0.451 860 L N 0.190 121.410 121.223 -0.005 0.000 2.341 860 L HA -0.064 4.287 4.340 0.017 0.000 0.214 860 L C 1.350 178.225 176.870 0.008 0.000 1.115 860 L CA 1.042 55.878 54.840 -0.006 0.000 0.820 860 L CB -0.084 41.947 42.059 -0.045 0.000 0.944 860 L HN 0.279 nan 8.230 nan 0.000 0.452 861 Q N -0.946 118.863 119.800 0.014 0.000 2.222 861 Q HA 0.143 4.494 4.340 0.017 0.000 0.206 861 Q C -0.663 175.368 176.000 0.053 0.000 0.877 861 Q CA 0.107 55.935 55.803 0.042 0.000 0.958 861 Q CB 0.226 29.012 28.738 0.080 0.000 1.075 861 Q HN 0.250 nan 8.270 nan 0.000 0.483 862 D N -0.291 120.134 120.400 0.042 0.000 2.193 862 D HA 0.246 4.897 4.640 0.017 0.000 0.244 862 D C -0.603 175.730 176.300 0.055 0.000 1.064 862 D CA -0.533 53.499 54.000 0.053 0.000 0.845 862 D CB 1.597 42.432 40.800 0.058 0.000 1.148 862 D HN -0.115 nan 8.370 nan 0.000 0.464 863 V N 2.096 122.038 119.914 0.048 0.000 2.694 863 V HA 0.232 4.363 4.120 0.017 0.000 0.306 863 V C 0.394 176.508 176.094 0.033 0.000 1.054 863 V CA 0.068 62.388 62.300 0.034 0.000 1.161 863 V CB 0.256 32.092 31.823 0.022 0.000 0.916 863 V HN 0.280 nan 8.190 nan 0.000 0.490 864 V N 2.437 122.355 119.914 0.007 0.000 3.204 864 V HA 0.403 4.534 4.120 0.017 0.000 0.298 864 V C -0.223 175.818 176.094 -0.089 0.000 1.328 864 V CA -0.666 61.602 62.300 -0.053 0.000 1.035 864 V CB 2.719 34.502 31.823 -0.067 0.000 1.095 864 V HN 0.899 nan 8.190 nan 0.000 0.442 865 T N 2.308 116.756 114.554 -0.177 0.000 2.767 865 T HA 0.702 5.063 4.350 0.017 0.000 0.284 865 T C -0.717 173.878 174.700 -0.174 0.000 0.973 865 T CA -0.302 61.719 62.100 -0.132 0.000 0.996 865 T CB 1.126 69.924 68.868 -0.116 0.000 0.927 865 T HN 0.451 nan 8.240 nan 0.000 0.456 866 V N 3.869 123.751 119.914 -0.052 0.000 2.668 866 V HA 0.448 4.579 4.120 0.017 0.000 0.304 866 V C -0.123 176.004 176.094 0.055 0.000 1.071 866 V CA -1.075 61.227 62.300 0.004 0.000 0.894 866 V CB 2.159 34.021 31.823 0.066 0.000 1.008 866 V HN 0.763 nan 8.190 nan 0.000 0.425 867 R N 3.470 124.004 120.500 0.056 0.000 2.235 867 R HA 0.336 4.686 4.340 0.017 0.000 0.338 867 R C -0.824 175.540 176.300 0.106 0.000 1.087 867 R CA -0.148 55.994 56.100 0.071 0.000 0.948 867 R CB 0.263 30.593 30.300 0.050 0.000 1.099 867 R HN 0.712 nan 8.270 nan 0.000 0.483 868 Y N 3.712 124.013 120.300 0.003 0.000 2.875 868 Y HA 0.235 4.796 4.550 0.018 0.000 0.466 868 Y C 0.660 176.531 175.900 -0.049 0.000 1.393 868 Y CA -0.596 57.500 58.100 -0.008 0.000 1.909 868 Y CB 0.406 38.843 38.460 -0.038 0.000 1.710 868 Y HN 0.433 nan 8.280 nan 0.000 0.706 869 M N 1.491 121.280 119.600 0.316 0.000 2.364 869 M HA 0.148 4.638 4.480 0.017 0.000 0.342 869 M C 0.834 177.098 176.300 -0.060 0.000 1.601 869 M CA 0.921 56.244 55.300 0.038 0.000 1.156 869 M CB -0.404 32.102 32.600 -0.157 0.000 1.912 869 M HN 0.798 nan 8.290 nan 0.000 0.460 870 G N 3.148 111.939 108.800 -0.015 0.000 2.422 870 G HA2 -0.286 3.684 3.960 0.017 0.000 0.301 870 G HA3 -0.286 3.684 3.960 0.017 0.000 0.301 870 G C -0.160 174.712 174.900 -0.047 0.000 0.981 870 G CA 0.638 45.718 45.100 -0.032 0.000 0.994 870 G HN 0.698 nan 8.290 nan 0.000 0.514 871 K N -1.729 118.655 120.400 -0.028 0.000 2.622 871 K HA 0.303 4.633 4.320 0.017 0.000 0.273 871 K C -0.200 176.400 176.600 -0.001 0.000 0.957 871 K CA -0.918 55.349 56.287 -0.033 0.000 0.861 871 K CB 1.301 33.754 32.500 -0.080 0.000 1.405 871 K HN 0.177 nan 8.250 nan 0.000 0.406 872 R N 2.798 123.298 120.500 -0.000 0.000 2.248 872 R HA 0.305 4.655 4.340 0.017 0.000 0.337 872 R C -0.454 175.856 176.300 0.016 0.000 1.106 872 R CA -0.231 55.875 56.100 0.011 0.000 0.959 872 R CB 0.088 30.390 30.300 0.005 0.000 1.075 872 R HN 0.287 nan 8.270 nan 0.000 0.480 873 L N 2.649 123.895 121.223 0.039 0.000 2.334 873 L HA 0.284 4.635 4.340 0.017 0.000 0.277 873 L C 0.290 177.190 176.870 0.051 0.000 1.075 873 L CA -0.324 54.552 54.840 0.060 0.000 0.804 873 L CB 1.339 43.471 42.059 0.121 0.000 1.174 873 L HN 0.461 nan 8.230 nan 0.000 0.438 874 E N 2.575 122.806 120.200 0.051 0.000 2.149 874 E HA 0.422 4.783 4.350 0.017 0.000 0.255 874 E C -1.131 175.501 176.600 0.055 0.000 0.888 874 E CA -0.380 56.040 56.400 0.034 0.000 0.742 874 E CB 1.539 31.252 29.700 0.022 0.000 1.164 874 E HN 0.608 nan 8.360 nan 0.000 0.422 875 T N -1.001 113.589 114.554 0.060 0.000 2.802 875 T HA 0.306 4.667 4.350 0.017 0.000 0.311 875 T C 0.028 174.765 174.700 0.062 0.000 1.405 875 T CA -1.145 60.998 62.100 0.071 0.000 1.016 875 T CB 1.272 70.213 68.868 0.122 0.000 1.352 875 T HN 0.323 nan 8.240 nan 0.000 0.498 876 S N 0.379 116.110 115.700 0.052 0.000 2.584 876 S HA 0.293 4.774 4.470 0.017 0.000 0.270 876 S C -1.907 172.739 174.600 0.077 0.000 1.346 876 S CA -0.795 57.436 58.200 0.052 0.000 1.018 876 S CB 0.234 63.450 63.200 0.026 0.000 0.899 876 S HN 0.477 nan 8.310 nan 0.000 0.542 877 P HA 0.105 nan 4.420 nan 0.000 0.221 877 P C 1.543 178.884 177.300 0.069 0.000 1.150 877 P CA 1.196 64.360 63.100 0.107 0.000 0.800 877 P CB -0.365 31.403 31.700 0.113 0.000 0.787 878 G N -0.072 108.748 108.800 0.033 0.000 2.421 878 G HA2 -0.183 3.787 3.960 0.017 0.000 0.217 878 G HA3 -0.183 3.787 3.960 0.017 0.000 0.217 878 G C 1.645 176.579 174.900 0.058 0.000 1.143 878 G CA 0.159 45.261 45.100 0.003 0.000 0.784 878 G HN 0.202 nan 8.290 nan 0.000 0.541 879 R N -0.445 120.089 120.500 0.057 0.000 2.189 879 R HA 0.125 4.475 4.340 0.017 0.000 0.218 879 R C 1.896 178.291 176.300 0.157 0.000 1.074 879 R CA 0.274 56.416 56.100 0.071 0.000 0.991 879 R CB -0.143 30.176 30.300 0.032 0.000 0.883 879 R HN 0.250 nan 8.270 nan 0.000 0.457 880 I N 0.928 121.596 120.570 0.163 0.000 3.251 880 I HA -0.100 4.080 4.170 0.017 0.000 0.277 880 I C 1.584 177.801 176.117 0.166 0.000 1.268 880 I CA 0.580 62.001 61.300 0.202 0.000 1.449 880 I CB -0.145 37.948 38.000 0.155 0.000 1.083 880 I HN 0.109 nan 8.210 nan 0.000 0.464 881 L N 0.001 121.317 121.223 0.154 0.000 2.121 881 L HA -0.012 4.338 4.340 0.017 0.000 0.200 881 L C 2.284 179.250 176.870 0.159 0.000 1.077 881 L CA 1.601 56.532 54.840 0.151 0.000 0.766 881 L CB -1.364 40.786 42.059 0.152 0.000 0.931 881 L HN 0.131 nan 8.230 nan 0.000 0.452 882 F N 1.307 121.285 119.950 0.046 0.000 2.063 882 F HA -0.321 4.212 4.527 0.010 0.000 0.298 882 F C 2.357 178.132 175.800 -0.041 0.000 1.109 882 F CA 2.398 60.399 58.000 0.002 0.000 1.212 882 F CB -0.664 38.329 39.000 -0.011 0.000 0.973 882 F HN 0.208 nan 8.300 nan 0.000 0.480 883 A N -0.082 122.875 122.820 0.228 0.000 2.148 883 A HA -0.275 4.055 4.320 0.017 0.000 0.222 883 A C 2.332 179.957 177.584 0.068 0.000 1.161 883 A CA 2.040 54.130 52.037 0.088 0.000 0.662 883 A CB -0.846 18.282 19.000 0.213 0.000 0.799 883 A HN 0.564 nan 8.150 nan 0.000 0.466 884 R N -0.680 119.847 120.500 0.044 0.000 2.142 884 R HA 0.140 4.490 4.340 0.017 0.000 0.204 884 R C 1.914 178.149 176.300 -0.109 0.000 1.059 884 R CA 0.778 56.897 56.100 0.030 0.000 1.055 884 R CB -0.230 30.110 30.300 0.067 0.000 0.976 884 R HN 0.504 nan 8.270 nan 0.000 0.483 885 I N 1.277 121.689 120.570 -0.264 0.000 2.091 885 I HA -0.357 3.824 4.170 0.017 0.000 0.240 885 I C 2.328 178.213 176.117 -0.386 0.000 1.046 885 I CA 1.748 62.751 61.300 -0.494 0.000 1.306 885 I CB -0.452 37.027 38.000 -0.867 0.000 1.018 885 I HN -0.020 nan 8.210 nan 0.000 0.404 886 V N 1.024 120.685 119.914 -0.422 0.000 2.307 886 V HA -0.254 3.876 4.120 0.017 0.000 0.245 886 V C 2.697 178.709 176.094 -0.137 0.000 1.045 886 V CA 1.844 63.972 62.300 -0.288 0.000 1.024 886 V CB -1.211 30.426 31.823 -0.310 0.000 0.651 886 V HN 0.539 nan 8.190 nan 0.000 0.449 887 A N -0.664 122.102 122.820 -0.090 0.000 2.139 887 A HA -0.255 4.075 4.320 0.017 0.000 0.221 887 A C 2.145 179.735 177.584 0.010 0.000 1.159 887 A CA 2.110 54.153 52.037 0.010 0.000 0.662 887 A CB -0.401 18.657 19.000 0.096 0.000 0.796 887 A HN 0.645 nan 8.150 nan 0.000 0.463 888 E N -1.611 118.569 120.200 -0.033 0.000 2.413 888 E HA 0.316 4.677 4.350 0.017 0.000 0.203 888 E C 1.894 178.480 176.600 -0.023 0.000 0.957 888 E CA 0.468 56.860 56.400 -0.013 0.000 0.950 888 E CB 0.129 29.823 29.700 -0.012 0.000 0.957 888 E HN 0.529 nan 8.360 nan 0.000 0.497 889 A N 0.571 123.355 122.820 -0.060 0.000 2.119 889 A HA 0.012 4.342 4.320 0.017 0.000 0.217 889 A C 0.740 178.310 177.584 -0.025 0.000 1.153 889 A CA 0.819 52.825 52.037 -0.051 0.000 0.692 889 A CB 0.076 19.021 19.000 -0.092 0.000 0.799 889 A HN 0.133 nan 8.150 nan 0.000 0.458 890 V N -3.113 116.793 119.914 -0.014 0.000 2.629 890 V HA 0.407 4.537 4.120 0.017 0.000 0.263 890 V C 0.397 176.503 176.094 0.020 0.000 0.959 890 V CA -0.183 62.121 62.300 0.006 0.000 0.869 890 V CB 0.642 32.471 31.823 0.010 0.000 1.060 890 V HN 0.209 nan 8.190 nan 0.000 0.474 891 E N 2.575 122.790 120.200 0.024 0.000 2.172 891 E HA -0.275 4.085 4.350 0.017 0.000 0.213 891 E C 0.777 177.406 176.600 0.048 0.000 1.051 891 E CA 2.290 58.712 56.400 0.036 0.000 0.860 891 E CB -0.330 29.391 29.700 0.034 0.000 0.755 891 E HN 0.911 nan 8.360 nan 0.000 0.462 892 D N 0.406 120.834 120.400 0.046 0.000 2.659 892 D HA -0.094 4.557 4.640 0.017 0.000 0.264 892 D C 0.582 176.925 176.300 0.073 0.000 1.329 892 D CA 0.556 54.589 54.000 0.055 0.000 0.963 892 D CB 0.146 40.976 40.800 0.050 0.000 1.136 892 D HN 0.312 nan 8.370 nan 0.000 0.554 893 E N 2.388 122.641 120.200 0.088 0.000 2.481 893 E HA -0.100 4.261 4.350 0.017 0.000 0.195 893 E C 1.078 177.760 176.600 0.137 0.000 1.047 893 E CA 0.467 56.945 56.400 0.130 0.000 0.867 893 E CB 0.348 30.142 29.700 0.156 0.000 0.858 893 E HN 0.245 nan 8.360 nan 0.000 0.513 894 K N -0.255 120.202 120.400 0.094 0.000 2.202 894 K HA 0.022 4.353 4.320 0.017 0.000 0.201 894 K C 1.934 178.597 176.600 0.105 0.000 1.051 894 K CA 0.564 56.895 56.287 0.074 0.000 0.977 894 K CB 0.433 32.955 32.500 0.037 0.000 0.792 894 K HN 0.072 nan 8.250 nan 0.000 0.469 895 V N 1.321 121.292 119.914 0.095 0.000 2.649 895 V HA -0.018 4.113 4.120 0.017 0.000 0.248 895 V C 1.946 178.108 176.094 0.112 0.000 1.054 895 V CA 1.318 63.675 62.300 0.094 0.000 1.073 895 V CB -0.568 31.298 31.823 0.072 0.000 0.699 895 V HN 0.148 nan 8.190 nan 0.000 0.463 896 A N -2.269 120.619 122.820 0.112 0.000 2.215 896 A HA -0.089 4.242 4.320 0.017 0.000 0.208 896 A C 1.514 179.165 177.584 0.111 0.000 1.296 896 A CA 0.707 52.796 52.037 0.087 0.000 0.918 896 A CB -0.937 18.108 19.000 0.076 0.000 0.806 896 A HN 0.773 nan 8.150 nan 0.000 0.490 897 W N -2.018 119.280 121.300 -0.004 0.000 1.952 897 W HA 0.205 4.871 4.660 0.011 0.000 0.236 897 W C 1.451 177.962 176.519 -0.014 0.000 0.880 897 W CA 0.046 57.377 57.345 -0.023 0.000 1.095 897 W CB 0.735 30.132 29.460 -0.105 0.000 0.933 897 W HN 0.377 nan 8.180 nan 0.000 0.553 898 E N 0.729 121.079 120.200 0.249 0.000 2.358 898 E HA -0.103 4.257 4.350 0.017 0.000 0.195 898 E C 1.682 178.349 176.600 0.113 0.000 1.010 898 E CA 0.923 57.429 56.400 0.177 0.000 0.856 898 E CB 0.056 29.826 29.700 0.117 0.000 0.795 898 E HN 0.148 nan 8.360 nan 0.000 0.504 899 L N -0.859 120.406 121.223 0.070 0.000 2.906 899 L HA 0.375 4.726 4.340 0.017 0.000 0.255 899 L C 0.355 177.221 176.870 -0.008 0.000 1.166 899 L CA 0.039 54.901 54.840 0.038 0.000 0.977 899 L CB -0.908 41.186 42.059 0.057 0.000 1.313 899 L HN -0.090 nan 8.230 nan 0.000 0.549 900 I N -0.365 120.149 120.570 -0.092 0.000 2.389 900 I HA 0.474 4.655 4.170 0.017 0.000 0.288 900 I C -0.608 175.371 176.117 -0.228 0.000 0.999 900 I CA -0.579 60.632 61.300 -0.149 0.000 1.129 900 I CB 1.817 39.715 38.000 -0.170 0.000 1.288 900 I HN 0.104 nan 8.210 nan 0.000 0.444 901 Q N 7.051 126.763 119.800 -0.146 0.000 2.835 901 Q HA 0.302 4.653 4.340 0.017 0.000 0.235 901 Q C 0.331 176.227 176.000 -0.173 0.000 1.313 901 Q CA -0.401 55.325 55.803 -0.128 0.000 1.053 901 Q CB 0.358 29.047 28.738 -0.082 0.000 1.443 901 Q HN 0.847 nan 8.270 nan 0.000 0.576 902 L N -2.239 118.852 121.223 -0.219 0.000 2.747 902 L HA 0.113 4.463 4.340 0.017 0.000 0.248 902 L C 0.017 176.834 176.870 -0.089 0.000 1.191 902 L CA 0.054 54.781 54.840 -0.188 0.000 1.003 902 L CB -0.222 41.731 42.059 -0.177 0.000 1.235 902 L HN 0.171 nan 8.230 nan 0.000 0.426 903 D N 0.440 120.798 120.400 -0.071 0.000 2.348 903 D HA 0.097 4.747 4.640 0.017 0.000 0.211 903 D C 0.847 177.106 176.300 -0.068 0.000 0.998 903 D CA 0.716 54.695 54.000 -0.034 0.000 0.873 903 D CB 0.560 41.351 40.800 -0.014 0.000 0.925 903 D HN 0.446 nan 8.370 nan 0.000 0.524 904 V N -3.409 116.436 119.914 -0.114 0.000 3.226 904 V HA 0.510 4.640 4.120 0.017 0.000 0.304 904 V C -2.974 172.990 176.094 -0.217 0.000 1.336 904 V CA -2.489 59.729 62.300 -0.137 0.000 1.066 904 V CB 1.353 33.115 31.823 -0.102 0.000 1.087 904 V HN -0.363 nan 8.190 nan 0.000 0.451 905 P HA 0.272 nan 4.420 nan 0.000 0.272 905 P C -1.092 176.038 177.300 -0.283 0.000 1.223 905 P CA -0.039 62.782 63.100 -0.466 0.000 0.784 905 P CB 0.229 31.478 31.700 -0.752 0.000 0.923 906 Q N 2.031 121.666 119.800 -0.274 0.000 2.389 906 Q HA 0.136 4.486 4.340 0.017 0.000 0.244 906 Q C 0.354 176.430 176.000 0.126 0.000 1.056 906 Q CA 0.274 55.998 55.803 -0.133 0.000 0.908 906 Q CB 0.757 29.336 28.738 -0.265 0.000 1.273 906 Q HN 0.528 nan 8.270 nan 0.000 0.471 907 E N 2.295 122.566 120.200 0.119 0.000 4.367 907 E HA 0.037 4.398 4.350 0.017 0.000 0.345 907 E C 0.758 177.413 176.600 0.092 0.000 1.312 907 E CA -0.115 56.376 56.400 0.151 0.000 2.005 907 E CB 0.602 30.353 29.700 0.085 0.000 1.642 907 E HN 0.477 nan 8.360 nan 0.000 0.783 908 K N -0.391 120.045 120.400 0.059 0.000 2.323 908 K HA 0.098 4.428 4.320 0.017 0.000 0.197 908 K C 1.285 177.918 176.600 0.055 0.000 1.043 908 K CA 0.488 56.811 56.287 0.060 0.000 0.997 908 K CB 0.135 32.663 32.500 0.048 0.000 0.807 908 K HN 0.159 nan 8.250 nan 0.000 0.497 909 N N 0.945 119.668 118.700 0.038 0.000 2.376 909 N HA 0.004 4.755 4.740 0.017 0.000 0.177 909 N C 1.409 176.935 175.510 0.028 0.000 1.024 909 N CA 0.741 53.809 53.050 0.031 0.000 0.893 909 N CB 0.195 38.690 38.487 0.013 0.000 0.980 909 N HN 0.175 nan 8.380 nan 0.000 0.439 910 S N 1.275 116.987 115.700 0.021 0.000 2.335 910 S HA -0.011 4.470 4.470 0.017 0.000 0.216 910 S C 1.966 176.589 174.600 0.038 0.000 1.032 910 S CA 0.633 58.837 58.200 0.006 0.000 1.000 910 S CB -0.203 62.979 63.200 -0.030 0.000 0.928 910 S HN 0.061 nan 8.310 nan 0.000 0.434 911 L N 1.930 123.191 121.223 0.062 0.000 1.934 911 L HA -0.219 4.132 4.340 0.017 0.000 0.227 911 L C 2.271 179.208 176.870 0.113 0.000 1.084 911 L CA 2.101 57.009 54.840 0.112 0.000 0.790 911 L CB -0.923 41.219 42.059 0.138 0.000 0.896 911 L HN 0.276 nan 8.230 nan 0.000 0.437 912 K N -0.803 119.663 120.400 0.110 0.000 2.285 912 K HA -0.366 3.964 4.320 0.017 0.000 0.214 912 K C 1.703 178.395 176.600 0.154 0.000 1.015 912 K CA 2.464 58.828 56.287 0.128 0.000 0.930 912 K CB -0.369 32.196 32.500 0.109 0.000 0.887 912 K HN 0.457 nan 8.250 nan 0.000 0.486 913 D N 0.349 120.815 120.400 0.110 0.000 2.084 913 D HA -0.178 4.472 4.640 0.017 0.000 0.196 913 D C 1.968 178.344 176.300 0.127 0.000 0.985 913 D CA 1.260 55.316 54.000 0.094 0.000 0.826 913 D CB -0.462 40.355 40.800 0.029 0.000 0.978 913 D HN 0.311 nan 8.370 nan 0.000 0.456 914 L N 0.692 121.982 121.223 0.111 0.000 2.151 914 L HA -0.233 4.117 4.340 0.017 0.000 0.215 914 L C 2.100 179.052 176.870 0.137 0.000 1.084 914 L CA 1.064 55.975 54.840 0.118 0.000 0.764 914 L CB 0.041 42.189 42.059 0.148 0.000 0.891 914 L HN -0.069 nan 8.230 nan 0.000 0.435 915 V N -1.337 118.674 119.914 0.161 0.000 2.284 915 V HA -0.312 3.818 4.120 0.017 0.000 0.236 915 V C 1.962 178.219 176.094 0.271 0.000 1.044 915 V CA 1.750 64.156 62.300 0.177 0.000 1.019 915 V CB -0.964 30.951 31.823 0.153 0.000 0.657 915 V HN 0.508 nan 8.190 nan 0.000 0.465 916 Y N 0.746 121.135 120.300 0.149 0.000 2.096 916 Y HA -0.455 4.105 4.550 0.017 0.000 0.276 916 Y C 2.745 178.723 175.900 0.130 0.000 1.209 916 Y CA 2.476 60.672 58.100 0.159 0.000 1.137 916 Y CB -0.070 38.448 38.460 0.095 0.000 0.956 916 Y HN 0.250 nan 8.280 nan 0.000 0.506 917 Q N 0.186 120.275 119.800 0.482 0.000 2.167 917 Q HA -0.093 4.258 4.340 0.017 0.000 0.202 917 Q C 2.321 178.459 176.000 0.229 0.000 0.970 917 Q CA 1.505 57.498 55.803 0.316 0.000 0.855 917 Q CB -0.493 28.345 28.738 0.168 0.000 0.911 917 Q HN 0.626 nan 8.270 nan 0.000 0.438 918 A N -0.388 122.558 122.820 0.210 0.000 1.898 918 A HA -0.147 4.184 4.320 0.017 0.000 0.216 918 A C 1.988 179.708 177.584 0.226 0.000 1.181 918 A CA 1.064 53.200 52.037 0.165 0.000 0.620 918 A CB -0.929 18.142 19.000 0.118 0.000 0.819 918 A HN 0.555 nan 8.150 nan 0.000 0.442 919 F N -0.050 119.923 119.950 0.037 0.000 2.046 919 F HA -0.237 4.300 4.527 0.017 0.000 0.297 919 F C 2.035 177.838 175.800 0.005 0.000 1.123 919 F CA 1.434 59.429 58.000 -0.008 0.000 1.199 919 F CB -0.149 38.810 39.000 -0.068 0.000 0.972 919 F HN 0.204 nan 8.300 nan 0.000 0.474 920 L N 1.138 122.402 121.223 0.068 0.000 1.944 920 L HA -0.283 4.068 4.340 0.017 0.000 0.218 920 L C 2.620 179.541 176.870 0.085 0.000 1.075 920 L CA 1.820 56.638 54.840 -0.036 0.000 0.767 920 L CB -1.067 41.042 42.059 0.085 0.000 0.890 920 L HN 0.062 nan 8.230 nan 0.000 0.434 921 R N -0.637 119.935 120.500 0.120 0.000 2.126 921 R HA -0.128 4.223 4.340 0.017 0.000 0.224 921 R C 1.895 178.258 176.300 0.104 0.000 1.128 921 R CA 1.353 57.515 56.100 0.103 0.000 0.895 921 R CB -1.239 29.121 30.300 0.101 0.000 0.817 921 R HN 0.227 nan 8.270 nan 0.000 0.435 922 L N -0.539 120.751 121.223 0.112 0.000 2.064 922 L HA -0.140 4.210 4.340 0.017 0.000 0.210 922 L C 1.442 178.376 176.870 0.106 0.000 0.881 922 L CA 1.494 56.391 54.840 0.096 0.000 1.719 922 L CB -0.667 41.443 42.059 0.085 0.000 1.490 922 L HN 0.432 nan 8.230 nan 0.000 0.622 923 G N -2.554 106.303 108.800 0.095 0.000 2.680 923 G HA2 0.411 4.381 3.960 0.017 0.000 0.290 923 G HA3 0.411 4.381 3.960 0.017 0.000 0.290 923 G C -0.101 174.821 174.900 0.038 0.000 1.355 923 G CA -0.467 44.682 45.100 0.082 0.000 0.903 923 G HN 0.379 nan 8.290 nan 0.000 0.474 924 M N -0.191 119.392 119.600 -0.029 0.000 2.160 924 M HA 0.016 4.506 4.480 0.017 0.000 0.264 924 M C 2.422 178.571 176.300 -0.252 0.000 1.073 924 M CA 1.618 56.745 55.300 -0.289 0.000 1.142 924 M CB -0.331 32.102 32.600 -0.278 0.000 1.358 924 M HN 0.813 nan 8.290 nan 0.000 0.422 925 E N 0.482 120.590 120.200 -0.153 0.000 2.017 925 E HA -0.296 4.064 4.350 0.017 0.000 0.193 925 E C 1.999 178.530 176.600 -0.115 0.000 0.997 925 E CA 1.529 57.840 56.400 -0.149 0.000 0.804 925 E CB -0.814 28.828 29.700 -0.095 0.000 0.757 925 E HN 0.491 nan 8.360 nan 0.000 0.448 926 K N 0.870 121.229 120.400 -0.069 0.000 2.127 926 K HA -0.184 4.147 4.320 0.017 0.000 0.208 926 K C 2.229 178.795 176.600 -0.056 0.000 1.047 926 K CA 2.097 58.358 56.287 -0.044 0.000 0.927 926 K CB -0.218 32.273 32.500 -0.015 0.000 0.716 926 K HN 0.109 nan 8.250 nan 0.000 0.450 927 T N 0.610 115.116 114.554 -0.080 0.000 2.622 927 T HA -0.202 4.158 4.350 0.017 0.000 0.266 927 T C 1.845 176.484 174.700 -0.101 0.000 1.047 927 T CA 1.635 63.682 62.100 -0.087 0.000 1.159 927 T CB -0.526 68.253 68.868 -0.148 0.000 0.863 927 T HN 0.475 nan 8.240 nan 0.000 0.422 928 A N 1.701 124.431 122.820 -0.151 0.000 1.971 928 A HA -0.260 4.071 4.320 0.017 0.000 0.222 928 A C 2.278 179.821 177.584 -0.069 0.000 1.182 928 A CA 2.224 54.182 52.037 -0.131 0.000 0.649 928 A CB -0.751 18.144 19.000 -0.174 0.000 0.818 928 A HN 0.439 nan 8.150 nan 0.000 0.458 929 R N -0.843 119.622 120.500 -0.058 0.000 2.096 929 R HA -0.184 4.167 4.340 0.017 0.000 0.240 929 R C 2.132 178.420 176.300 -0.021 0.000 1.139 929 R CA 1.935 58.020 56.100 -0.025 0.000 0.952 929 R CB -0.465 29.823 30.300 -0.020 0.000 0.854 929 R HN 0.535 nan 8.270 nan 0.000 0.436 930 L N 1.091 122.291 121.223 -0.038 0.000 2.093 930 L HA -0.097 4.253 4.340 0.017 0.000 0.208 930 L C 1.985 178.830 176.870 -0.042 0.000 1.085 930 L CA 1.505 56.313 54.840 -0.053 0.000 0.755 930 L CB -0.402 41.624 42.059 -0.055 0.000 0.904 930 L HN 0.197 nan 8.230 nan 0.000 0.435 931 L N -0.370 120.835 121.223 -0.030 0.000 2.127 931 L HA -0.231 4.120 4.340 0.017 0.000 0.211 931 L C 2.091 178.970 176.870 0.016 0.000 1.089 931 L CA 1.754 56.587 54.840 -0.012 0.000 0.757 931 L CB -0.480 41.563 42.059 -0.026 0.000 0.899 931 L HN 0.393 nan 8.230 nan 0.000 0.434 932 D N -1.010 119.412 120.400 0.037 0.000 2.277 932 D HA -0.007 4.643 4.640 0.017 0.000 0.209 932 D C 2.176 178.523 176.300 0.078 0.000 0.970 932 D CA 0.817 54.867 54.000 0.083 0.000 0.874 932 D CB 0.155 41.026 40.800 0.119 0.000 0.982 932 D HN 0.182 nan 8.370 nan 0.000 0.504 933 A N -0.055 122.796 122.820 0.051 0.000 2.139 933 A HA -0.132 4.198 4.320 0.017 0.000 0.221 933 A C 1.959 179.517 177.584 -0.044 0.000 1.159 933 A CA 1.090 53.148 52.037 0.035 0.000 0.662 933 A CB -0.520 18.448 19.000 -0.054 0.000 0.796 933 A HN 0.381 nan 8.150 nan 0.000 0.463 934 L N -1.801 119.394 121.223 -0.046 0.000 2.470 934 L HA 0.099 4.449 4.340 0.017 0.000 0.219 934 L C 2.271 179.110 176.870 -0.051 0.000 1.071 934 L CA 0.639 55.438 54.840 -0.068 0.000 0.850 934 L CB -0.102 41.928 42.059 -0.047 0.000 1.040 934 L HN 0.267 nan 8.230 nan 0.000 0.475 935 K N -0.036 120.325 120.400 -0.065 0.000 2.504 935 K HA -0.147 4.183 4.320 0.017 0.000 0.195 935 K C 1.559 178.037 176.600 -0.203 0.000 1.036 935 K CA 0.878 57.008 56.287 -0.261 0.000 0.984 935 K CB 0.255 32.677 32.500 -0.130 0.000 0.788 935 K HN 0.379 nan 8.250 nan 0.000 0.488 936 Y N -0.518 119.733 120.300 -0.081 0.000 2.304 936 Y HA -0.223 4.342 4.550 0.024 0.000 0.265 936 Y C 1.687 177.569 175.900 -0.031 0.000 1.074 936 Y CA 0.488 58.595 58.100 0.010 0.000 1.102 936 Y CB -0.210 38.316 38.460 0.110 0.000 1.037 936 Y HN -0.098 nan 8.280 nan 0.000 0.484 937 Y N 1.161 121.303 120.300 -0.262 0.000 2.173 937 Y HA -0.269 4.286 4.550 0.008 0.000 0.282 937 Y C 2.574 178.212 175.900 -0.437 0.000 1.192 937 Y CA 1.151 58.832 58.100 -0.698 0.000 1.176 937 Y CB -1.506 36.545 38.460 -0.682 0.000 0.969 937 Y HN 0.365 nan 8.280 nan 0.000 0.519 938 G N -0.572 108.235 108.800 0.011 0.000 2.586 938 G HA2 -0.290 3.680 3.960 0.017 0.000 0.218 938 G HA3 -0.290 3.680 3.960 0.017 0.000 0.218 938 G C 1.606 176.572 174.900 0.110 0.000 1.216 938 G CA 1.151 46.261 45.100 0.017 0.000 0.786 938 G HN 0.488 nan 8.290 nan 0.000 0.583 939 F N 1.070 121.065 119.950 0.076 0.000 2.604 939 F HA -0.014 4.522 4.527 0.015 0.000 0.298 939 F C 2.803 178.612 175.800 0.015 0.000 1.131 939 F CA 0.479 58.507 58.000 0.047 0.000 1.457 939 F CB 0.078 39.097 39.000 0.031 0.000 1.095 939 F HN 0.108 nan 8.300 nan 0.000 0.574 940 T N 0.280 114.903 114.554 0.115 0.000 2.925 940 T HA -0.064 4.297 4.350 0.017 0.000 0.232 940 T C 1.543 176.255 174.700 0.020 0.000 1.055 940 T CA 0.712 62.788 62.100 -0.039 0.000 1.419 940 T CB -0.879 67.777 68.868 -0.353 0.000 1.094 940 T HN 0.058 nan 8.240 nan 0.000 0.423 941 F N 1.770 121.765 119.950 0.075 0.000 2.053 941 F HA -0.283 4.290 4.527 0.077 0.000 0.295 941 F C 3.048 178.873 175.800 0.041 0.000 1.102 941 F CA 1.220 59.260 58.000 0.067 0.000 1.225 941 F CB -1.073 38.001 39.000 0.124 0.000 0.961 941 F HN 0.209 nan 8.300 nan 0.000 0.495 942 S N -0.237 115.628 115.700 0.276 0.000 2.409 942 S HA -0.330 4.151 4.470 0.017 0.000 0.237 942 S C 2.084 176.722 174.600 0.062 0.000 1.060 942 S CA 2.402 60.688 58.200 0.145 0.000 1.052 942 S CB -0.799 62.517 63.200 0.193 0.000 0.871 942 S HN 0.647 nan 8.310 nan 0.000 0.465 943 T N -1.327 113.271 114.554 0.073 0.000 2.851 943 T HA -0.066 4.295 4.350 0.017 0.000 0.262 943 T C 1.956 176.663 174.700 0.011 0.000 1.043 943 T CA 1.811 63.928 62.100 0.028 0.000 1.140 943 T CB -1.230 67.651 68.868 0.022 0.000 0.872 943 T HN 0.585 nan 8.240 nan 0.000 0.446 944 T N 0.525 115.100 114.554 0.036 0.000 3.085 944 T HA 0.017 4.378 4.350 0.017 0.000 0.263 944 T C 2.237 176.923 174.700 -0.022 0.000 1.127 944 T CA 1.090 63.202 62.100 0.020 0.000 1.103 944 T CB -0.755 68.143 68.868 0.051 0.000 0.921 944 T HN 0.578 nan 8.240 nan 0.000 0.510 945 S N 1.892 117.549 115.700 -0.072 0.000 2.423 945 S HA 0.018 4.498 4.470 0.017 0.000 0.238 945 S C 2.117 176.569 174.600 -0.246 0.000 1.028 945 S CA 1.204 59.228 58.200 -0.293 0.000 1.000 945 S CB -1.612 61.292 63.200 -0.494 0.000 0.797 945 S HN 1.572 nan 8.310 nan 0.000 0.487 946 G N 0.956 109.682 108.800 -0.122 0.000 2.249 946 G HA2 -0.251 3.719 3.960 0.017 0.000 0.273 946 G HA3 -0.251 3.719 3.960 0.017 0.000 0.273 946 G C -0.094 174.766 174.900 -0.066 0.000 1.036 946 G CA 0.321 45.380 45.100 -0.067 0.000 0.824 946 G HN 1.404 nan 8.290 nan 0.000 0.504 947 I N -0.283 120.222 120.570 -0.108 0.000 2.304 947 I HA 0.860 5.041 4.170 0.017 0.000 0.291 947 I C 0.112 176.220 176.117 -0.015 0.000 1.018 947 I CA -0.377 60.893 61.300 -0.050 0.000 1.260 947 I CB 1.683 39.629 38.000 -0.090 0.000 1.390 947 I HN 0.510 nan 8.210 nan 0.000 0.475 948 T N 4.872 119.431 114.554 0.008 0.000 2.853 948 T HA 0.645 5.005 4.350 0.017 0.000 0.311 948 T C -0.777 173.930 174.700 0.011 0.000 1.307 948 T CA -0.797 61.306 62.100 0.005 0.000 1.019 948 T CB 1.056 69.922 68.868 -0.004 0.000 1.264 948 T HN 0.557 nan 8.240 nan 0.000 0.497 949 I N 2.574 123.149 120.570 0.008 0.000 2.331 949 I HA 0.591 4.772 4.170 0.017 0.000 0.292 949 I C 1.143 177.263 176.117 0.004 0.000 0.998 949 I CA -0.600 60.705 61.300 0.008 0.000 1.267 949 I CB 1.264 39.269 38.000 0.009 0.000 1.386 949 I HN 0.940 nan 8.210 nan 0.000 0.476 950 G N 4.750 113.552 108.800 0.004 0.000 2.795 950 G HA2 0.367 4.338 3.960 0.017 0.000 0.267 950 G HA3 0.367 4.338 3.960 0.017 0.000 0.267 950 G C 0.515 175.418 174.900 0.005 0.000 1.362 950 G CA -0.395 44.706 45.100 0.002 0.000 1.048 950 G HN 0.460 nan 8.290 nan 0.000 0.547 951 I N -0.320 120.253 120.570 0.005 0.000 2.867 951 I HA 0.068 4.248 4.170 0.017 0.000 0.265 951 I C 1.266 177.391 176.117 0.014 0.000 1.162 951 I CA 0.764 62.072 61.300 0.012 0.000 1.471 951 I CB -0.232 37.775 38.000 0.012 0.000 1.123 951 I HN 0.289 nan 8.210 nan 0.000 0.440 952 D N 1.003 121.404 120.400 0.002 0.000 2.363 952 D HA -0.099 4.551 4.640 0.017 0.000 0.226 952 D C 1.350 177.639 176.300 -0.019 0.000 1.020 952 D CA 0.398 54.395 54.000 -0.006 0.000 0.892 952 D CB 0.116 40.906 40.800 -0.018 0.000 0.900 952 D HN 0.330 nan 8.370 nan 0.000 0.531 953 D N 1.177 121.571 120.400 -0.009 0.000 2.097 953 D HA -0.073 4.577 4.640 0.017 0.000 0.197 953 D C 1.021 177.334 176.300 0.022 0.000 0.984 953 D CA 0.636 54.627 54.000 -0.015 0.000 0.826 953 D CB -0.228 40.570 40.800 -0.004 0.000 0.973 953 D HN 0.059 nan 8.370 nan 0.000 0.460 954 A N 1.715 124.570 122.820 0.058 0.000 2.785 954 A HA 0.277 4.608 4.320 0.017 0.000 0.294 954 A C 0.191 177.854 177.584 0.132 0.000 1.597 954 A CA -0.233 51.877 52.037 0.122 0.000 1.283 954 A CB -0.441 18.625 19.000 0.110 0.000 1.088 954 A HN -0.037 nan 8.150 nan 0.000 0.568 955 V N 4.435 124.469 119.914 0.200 0.000 2.479 955 V HA 0.054 4.184 4.120 0.017 0.000 0.281 955 V C 0.561 176.715 176.094 0.099 0.000 1.031 955 V CA 0.281 62.669 62.300 0.148 0.000 1.038 955 V CB 0.116 32.063 31.823 0.207 0.000 0.981 955 V HN 0.625 nan 8.190 nan 0.000 0.478 956 I N 6.976 127.578 120.570 0.053 0.000 2.342 956 I HA 0.324 4.504 4.170 0.017 0.000 0.291 956 I C -1.842 174.269 176.117 -0.010 0.000 1.010 956 I CA -1.672 59.633 61.300 0.008 0.000 1.308 956 I CB 1.440 39.450 38.000 0.015 0.000 1.400 956 I HN 0.457 nan 8.210 nan 0.000 0.488 957 P HA 0.020 nan 4.420 nan 0.000 0.271 957 P C 0.301 177.562 177.300 -0.066 0.000 1.233 957 P CA -0.099 62.952 63.100 -0.081 0.000 0.789 957 P CB 0.881 32.511 31.700 -0.116 0.000 0.951 958 E N 0.881 121.030 120.200 -0.084 0.000 2.216 958 E HA -0.099 4.261 4.350 0.017 0.000 0.192 958 E C 0.868 177.382 176.600 -0.143 0.000 0.973 958 E CA 0.534 56.884 56.400 -0.083 0.000 0.851 958 E CB -0.208 29.451 29.700 -0.068 0.000 0.804 958 E HN 0.433 nan 8.360 nan 0.000 0.477 959 E N 0.989 121.056 120.200 -0.223 0.000 2.352 959 E HA -0.100 4.260 4.350 0.017 0.000 0.197 959 E C 1.035 177.354 176.600 -0.469 0.000 1.224 959 E CA 0.250 56.388 56.400 -0.436 0.000 1.118 959 E CB 0.143 29.479 29.700 -0.607 0.000 1.198 959 E HN 0.204 nan 8.360 nan 0.000 0.454 960 K N 2.069 122.356 120.400 -0.188 0.000 2.190 960 K HA -0.039 4.292 4.320 0.017 0.000 0.202 960 K C 2.045 178.646 176.600 0.002 0.000 1.045 960 K CA 0.542 56.803 56.287 -0.042 0.000 0.976 960 K CB 0.128 32.626 32.500 -0.003 0.000 0.849 960 K HN 0.098 nan 8.250 nan 0.000 0.468 961 K N 0.526 120.912 120.400 -0.023 0.000 2.365 961 K HA -0.110 4.220 4.320 0.017 0.000 0.199 961 K C 1.941 178.539 176.600 -0.003 0.000 1.045 961 K CA 0.982 57.273 56.287 0.006 0.000 0.962 961 K CB 0.111 32.610 32.500 -0.003 0.000 0.759 961 K HN 0.180 nan 8.250 nan 0.000 0.469 962 Q N -0.136 119.624 119.800 -0.067 0.000 2.061 962 Q HA -0.101 4.249 4.340 0.017 0.000 0.195 962 Q C 1.545 177.558 176.000 0.022 0.000 0.967 962 Q CA 0.993 56.751 55.803 -0.075 0.000 0.829 962 Q CB -0.034 28.586 28.738 -0.196 0.000 0.900 962 Q HN 0.349 nan 8.270 nan 0.000 0.450 963 Y N 1.065 121.366 120.300 0.000 0.000 2.114 963 Y HA -0.235 4.325 4.550 0.017 0.000 0.284 963 Y C 2.291 178.190 175.900 -0.002 0.000 1.143 963 Y CA 0.919 59.014 58.100 -0.009 0.000 1.135 963 Y CB -0.900 37.561 38.460 0.003 0.000 0.980 963 Y HN 0.120 nan 8.280 nan 0.000 0.499 964 L N -0.245 121.109 121.223 0.218 0.000 1.990 964 L HA -0.278 4.072 4.340 0.017 0.000 0.213 964 L C 2.573 179.523 176.870 0.134 0.000 1.072 964 L CA 2.067 57.028 54.840 0.201 0.000 0.755 964 L CB -0.541 41.636 42.059 0.197 0.000 0.889 964 L HN 0.161 nan 8.230 nan 0.000 0.432 965 E N 0.362 120.618 120.200 0.093 0.000 2.077 965 E HA -0.264 4.096 4.350 0.017 0.000 0.193 965 E C 1.962 178.583 176.600 0.036 0.000 0.989 965 E CA 1.697 58.135 56.400 0.063 0.000 0.800 965 E CB -0.107 29.618 29.700 0.043 0.000 0.746 965 E HN 0.415 nan 8.360 nan 0.000 0.452 966 E N -0.412 119.810 120.200 0.036 0.000 2.038 966 E HA -0.190 4.170 4.350 0.017 0.000 0.195 966 E C 1.900 178.473 176.600 -0.045 0.000 1.000 966 E CA 1.286 57.692 56.400 0.010 0.000 0.803 966 E CB -0.360 29.366 29.700 0.043 0.000 0.750 966 E HN 0.364 nan 8.360 nan 0.000 0.448 967 A N 0.748 123.515 122.820 -0.088 0.000 2.125 967 A HA -0.188 4.142 4.320 0.017 0.000 0.219 967 A C 1.774 179.221 177.584 -0.228 0.000 1.156 967 A CA 1.656 53.533 52.037 -0.266 0.000 0.671 967 A CB -0.284 18.434 19.000 -0.470 0.000 0.794 967 A HN 0.295 nan 8.150 nan 0.000 0.459 968 D N -0.650 119.718 120.400 -0.053 0.000 2.333 968 D HA -0.058 4.592 4.640 0.017 0.000 0.208 968 D C 1.951 178.260 176.300 0.015 0.000 0.984 968 D CA 0.692 54.715 54.000 0.037 0.000 0.873 968 D CB -0.072 40.788 40.800 0.099 0.000 0.935 968 D HN 0.600 nan 8.370 nan 0.000 0.521 969 R N 0.518 121.009 120.500 -0.015 0.000 2.057 969 R HA 0.016 4.366 4.340 0.017 0.000 0.224 969 R C 2.208 178.491 176.300 -0.029 0.000 1.136 969 R CA 0.852 56.946 56.100 -0.011 0.000 0.968 969 R CB -0.182 30.111 30.300 -0.011 0.000 0.863 969 R HN -0.119 nan 8.270 nan 0.000 0.433 970 K N 0.606 120.967 120.400 -0.065 0.000 2.097 970 K HA -0.151 4.179 4.320 0.017 0.000 0.206 970 K C 2.046 178.602 176.600 -0.073 0.000 1.049 970 K CA 1.340 57.580 56.287 -0.079 0.000 0.933 970 K CB -0.187 32.240 32.500 -0.121 0.000 0.717 970 K HN 0.242 nan 8.250 nan 0.000 0.442 971 L N 1.891 123.058 121.223 -0.092 0.000 2.263 971 L HA -0.150 4.200 4.340 0.017 0.000 0.216 971 L C 1.937 178.818 176.870 0.019 0.000 1.111 971 L CA 1.307 56.121 54.840 -0.043 0.000 0.773 971 L CB -0.296 41.770 42.059 0.010 0.000 0.906 971 L HN 0.343 nan 8.230 nan 0.000 0.439 972 L N -1.978 119.255 121.223 0.017 0.000 2.209 972 L HA -0.087 4.264 4.340 0.017 0.000 0.207 972 L C 2.301 179.192 176.870 0.035 0.000 1.094 972 L CA 0.834 55.697 54.840 0.038 0.000 0.790 972 L CB -0.240 41.840 42.059 0.034 0.000 0.932 972 L HN 0.319 nan 8.230 nan 0.000 0.447 973 Q N 0.605 120.413 119.800 0.012 0.000 1.975 973 Q HA -0.248 4.103 4.340 0.017 0.000 0.205 973 Q C 2.230 178.249 176.000 0.033 0.000 0.990 973 Q CA 2.594 58.403 55.803 0.010 0.000 0.845 973 Q CB -0.413 28.314 28.738 -0.018 0.000 0.913 973 Q HN 0.560 nan 8.270 nan 0.000 0.420 974 I N 1.085 121.667 120.570 0.020 0.000 2.121 974 I HA -0.379 3.802 4.170 0.017 0.000 0.243 974 I C 2.437 178.619 176.117 0.109 0.000 1.047 974 I CA 1.481 62.806 61.300 0.042 0.000 1.308 974 I CB -0.493 37.515 38.000 0.013 0.000 1.015 974 I HN 0.300 nan 8.210 nan 0.000 0.410 975 E N 0.219 120.486 120.200 0.112 0.000 2.085 975 E HA -0.283 4.077 4.350 0.017 0.000 0.194 975 E C 2.247 178.960 176.600 0.189 0.000 0.994 975 E CA 1.554 58.061 56.400 0.179 0.000 0.801 975 E CB -0.153 29.632 29.700 0.141 0.000 0.743 975 E HN 0.519 nan 8.360 nan 0.000 0.453 976 Q N 0.239 120.114 119.800 0.125 0.000 2.084 976 Q HA -0.052 4.298 4.340 0.017 0.000 0.202 976 Q C 1.786 177.877 176.000 0.151 0.000 0.978 976 Q CA 1.497 57.367 55.803 0.111 0.000 0.844 976 Q CB -0.285 28.500 28.738 0.078 0.000 0.898 976 Q HN 0.243 nan 8.270 nan 0.000 0.426 977 A N -1.105 121.808 122.820 0.155 0.000 2.263 977 A HA -0.126 4.205 4.320 0.017 0.000 0.205 977 A C 1.109 178.876 177.584 0.305 0.000 1.226 977 A CA 0.780 52.940 52.037 0.204 0.000 0.810 977 A CB -0.418 18.637 19.000 0.092 0.000 0.784 977 A HN 0.513 nan 8.150 nan 0.000 0.486 978 Y N -1.338 119.029 120.300 0.111 0.000 2.512 978 Y HA 0.251 4.812 4.550 0.018 0.000 0.268 978 Y C 1.539 177.481 175.900 0.069 0.000 1.102 978 Y CA 0.548 58.702 58.100 0.091 0.000 1.261 978 Y CB 0.276 38.778 38.460 0.071 0.000 1.250 978 Y HN 0.386 nan 8.280 nan 0.000 0.506 979 E N -0.291 119.892 120.200 -0.028 0.000 2.502 979 E HA -0.034 4.326 4.350 0.017 0.000 0.194 979 E C 1.237 177.775 176.600 -0.103 0.000 1.062 979 E CA 0.370 56.691 56.400 -0.133 0.000 0.867 979 E CB 0.233 29.915 29.700 -0.031 0.000 0.888 979 E HN 0.326 nan 8.360 nan 0.000 0.510 980 M N -1.697 117.877 119.600 -0.042 0.000 2.553 980 M HA 0.243 4.733 4.480 0.017 0.000 0.255 980 M C 1.744 177.953 176.300 -0.153 0.000 1.181 980 M CA 1.551 56.811 55.300 -0.066 0.000 1.210 980 M CB 0.221 32.837 32.600 0.026 0.000 1.280 980 M HN 0.235 nan 8.290 nan 0.000 0.495 981 G N -1.879 106.854 108.800 -0.112 0.000 3.272 981 G HA2 -0.113 3.857 3.960 0.017 0.000 0.219 981 G HA3 -0.113 3.857 3.960 0.017 0.000 0.219 981 G C 0.869 175.752 174.900 -0.028 0.000 0.952 981 G CA -0.316 44.712 45.100 -0.120 0.000 0.833 981 G HN 0.281 nan 8.290 nan 0.000 0.608 982 F N 0.961 120.936 119.950 0.041 0.000 2.095 982 F HA 0.192 4.730 4.527 0.018 0.000 0.298 982 F C 1.366 177.212 175.800 0.076 0.000 1.104 982 F CA 1.072 59.104 58.000 0.052 0.000 1.232 982 F CB 0.034 39.061 39.000 0.046 0.000 0.987 982 F HN -0.003 nan 8.300 nan 0.000 0.475 983 L N 0.077 121.498 121.223 0.330 0.000 2.287 983 L HA 0.286 4.636 4.340 0.017 0.000 0.287 983 L C 0.443 177.461 176.870 0.247 0.000 1.022 983 L CA -0.552 54.428 54.840 0.232 0.000 0.814 983 L CB 1.415 43.580 42.059 0.177 0.000 1.217 983 L HN -0.154 nan 8.230 nan 0.000 0.420 984 T N 0.241 114.896 114.554 0.167 0.000 2.640 984 T HA -0.046 4.315 4.350 0.017 0.000 0.316 984 T C 0.980 175.753 174.700 0.122 0.000 1.036 984 T CA 0.040 62.236 62.100 0.159 0.000 1.009 984 T CB 0.640 69.566 68.868 0.096 0.000 1.017 984 T HN 0.717 nan 8.240 nan 0.000 0.530 985 D N 0.163 120.627 120.400 0.106 0.000 2.103 985 D HA -0.073 4.578 4.640 0.017 0.000 0.190 985 D C 2.237 178.527 176.300 -0.017 0.000 0.997 985 D CA 1.391 55.395 54.000 0.007 0.000 0.833 985 D CB -0.152 40.663 40.800 0.025 0.000 0.961 985 D HN 0.416 nan 8.370 nan 0.000 0.447 986 R N 0.952 121.462 120.500 0.017 0.000 2.081 986 R HA -0.058 4.293 4.340 0.017 0.000 0.235 986 R C 1.909 178.261 176.300 0.086 0.000 1.131 986 R CA 1.341 57.475 56.100 0.057 0.000 0.960 986 R CB -0.273 30.056 30.300 0.047 0.000 0.856 986 R HN 0.227 nan 8.270 nan 0.000 0.436 987 E N -0.471 119.761 120.200 0.054 0.000 2.219 987 E HA -0.234 4.126 4.350 0.017 0.000 0.198 987 E C 1.864 178.476 176.600 0.020 0.000 0.998 987 E CA 0.797 57.224 56.400 0.045 0.000 0.818 987 E CB -0.028 29.709 29.700 0.060 0.000 0.741 987 E HN 0.131 nan 8.360 nan 0.000 0.477 988 R N -0.029 120.457 120.500 -0.022 0.000 2.080 988 R HA -0.095 4.255 4.340 0.017 0.000 0.222 988 R C 2.002 178.295 176.300 -0.011 0.000 1.107 988 R CA 0.883 56.931 56.100 -0.087 0.000 0.980 988 R CB -0.522 29.567 30.300 -0.351 0.000 0.879 988 R HN 0.234 nan 8.270 nan 0.000 0.439 989 Y N 2.653 122.889 120.300 -0.108 0.000 2.036 989 Y HA -0.235 4.326 4.550 0.018 0.000 0.273 989 Y C 1.866 177.749 175.900 -0.028 0.000 1.135 989 Y CA 2.178 60.238 58.100 -0.066 0.000 1.106 989 Y CB -0.620 37.798 38.460 -0.069 0.000 0.976 989 Y HN 0.113 nan 8.280 nan 0.000 0.483 990 D N -0.145 120.237 120.400 -0.031 0.000 2.220 990 D HA -0.282 4.368 4.640 0.017 0.000 0.198 990 D C 1.997 178.220 176.300 -0.127 0.000 1.001 990 D CA 1.867 55.795 54.000 -0.120 0.000 0.875 990 D CB -0.331 40.475 40.800 0.010 0.000 0.921 990 D HN 0.586 nan 8.370 nan 0.000 0.454 991 Q N -0.075 119.678 119.800 -0.078 0.000 2.187 991 Q HA -0.006 4.345 4.340 0.017 0.000 0.199 991 Q C 2.374 178.326 176.000 -0.081 0.000 0.957 991 Q CA 0.276 56.038 55.803 -0.069 0.000 0.857 991 Q CB 0.250 28.962 28.738 -0.043 0.000 0.929 991 Q HN 0.301 nan 8.270 nan 0.000 0.453 992 I N 0.447 120.973 120.570 -0.073 0.000 2.617 992 I HA -0.217 3.963 4.170 0.017 0.000 0.256 992 I C 1.811 177.955 176.117 0.045 0.000 1.167 992 I CA 0.513 61.807 61.300 -0.010 0.000 1.469 992 I CB -0.034 38.008 38.000 0.071 0.000 1.098 992 I HN 0.242 nan 8.210 nan 0.000 0.436 993 L N 0.131 121.310 121.223 -0.074 0.000 2.027 993 L HA -0.222 4.128 4.340 0.017 0.000 0.206 993 L C 2.656 179.525 176.870 -0.002 0.000 1.074 993 L CA 1.223 56.037 54.840 -0.044 0.000 0.745 993 L CB -0.810 41.105 42.059 -0.239 0.000 0.898 993 L HN 0.206 nan 8.230 nan 0.000 0.433 994 Q N 0.946 120.709 119.800 -0.062 0.000 1.998 994 Q HA -0.295 4.056 4.340 0.017 0.000 0.209 994 Q C 2.145 178.102 176.000 -0.071 0.000 1.002 994 Q CA 2.360 58.128 55.803 -0.058 0.000 0.858 994 Q CB -0.754 27.942 28.738 -0.071 0.000 0.932 994 Q HN 0.304 nan 8.270 nan 0.000 0.416 995 L N -0.527 120.619 121.223 -0.129 0.000 2.054 995 L HA -0.218 4.132 4.340 0.017 0.000 0.220 995 L C 1.993 178.677 176.870 -0.310 0.000 1.081 995 L CA 2.352 57.039 54.840 -0.255 0.000 0.780 995 L CB -0.882 40.964 42.059 -0.355 0.000 0.893 995 L HN 0.521 nan 8.230 nan 0.000 0.438 996 W N -0.727 120.537 121.300 -0.060 0.000 2.409 996 W HA -0.116 4.554 4.660 0.017 0.000 0.299 996 W C 2.539 179.027 176.519 -0.050 0.000 1.203 996 W CA 1.424 58.739 57.345 -0.049 0.000 1.298 996 W CB -0.639 28.795 29.460 -0.043 0.000 1.127 996 W HN 0.054 nan 8.180 nan 0.000 0.528 997 T N 0.580 115.231 114.554 0.160 0.000 2.684 997 T HA -0.256 4.105 4.350 0.017 0.000 0.267 997 T C 1.270 175.993 174.700 0.038 0.000 1.036 997 T CA 1.984 64.135 62.100 0.085 0.000 1.148 997 T CB -0.458 68.430 68.868 0.034 0.000 0.863 997 T HN 0.273 nan 8.240 nan 0.000 0.436 998 E N 0.553 120.742 120.200 -0.017 0.000 2.051 998 E HA -0.108 4.253 4.350 0.017 0.000 0.192 998 E C 2.480 179.021 176.600 -0.098 0.000 0.991 998 E CA 1.439 57.798 56.400 -0.067 0.000 0.799 998 E CB -0.352 29.286 29.700 -0.103 0.000 0.748 998 E HN 0.346 nan 8.360 nan 0.000 0.449 999 T N 0.375 114.863 114.554 -0.111 0.000 2.732 999 T HA -0.104 4.257 4.350 0.017 0.000 0.261 999 T C 2.064 176.765 174.700 0.003 0.000 1.040 999 T CA 1.609 63.628 62.100 -0.135 0.000 1.145 999 T CB -0.393 68.354 68.868 -0.202 0.000 0.866 999 T HN 0.154 nan 8.240 nan 0.000 0.427 1000 T N 1.877 116.517 114.554 0.144 0.000 2.849 1000 T HA -0.109 4.252 4.350 0.017 0.000 0.270 1000 T C 1.900 176.649 174.700 0.083 0.000 1.066 1000 T CA 1.030 63.225 62.100 0.158 0.000 1.130 1000 T CB -0.153 68.822 68.868 0.179 0.000 0.864 1000 T HN 0.284 nan 8.240 nan 0.000 0.481 1001 E N 1.468 121.693 120.200 0.043 0.000 2.076 1001 E HA -0.040 4.320 4.350 0.017 0.000 0.190 1001 E C 2.075 178.681 176.600 0.009 0.000 0.979 1001 E CA 1.046 57.465 56.400 0.031 0.000 0.807 1001 E CB -0.078 29.627 29.700 0.009 0.000 0.761 1001 E HN 0.396 nan 8.360 nan 0.000 0.454 1002 K N 0.418 120.776 120.400 -0.069 0.000 2.032 1002 K HA -0.140 4.191 4.320 0.017 0.000 0.209 1002 K C 2.167 178.731 176.600 -0.059 0.000 1.048 1002 K CA 1.840 58.023 56.287 -0.175 0.000 0.927 1002 K CB -0.329 31.885 32.500 -0.478 0.000 0.712 1002 K HN 0.185 nan 8.250 nan 0.000 0.441 1003 V N -1.245 118.697 119.914 0.047 0.000 2.913 1003 V HA -0.164 3.966 4.120 0.017 0.000 0.260 1003 V C 1.743 177.927 176.094 0.150 0.000 1.098 1003 V CA 1.896 64.327 62.300 0.219 0.000 1.121 1003 V CB -0.774 31.177 31.823 0.213 0.000 0.714 1003 V HN 0.166 nan 8.190 nan 0.000 0.487 1004 T N -0.056 114.578 114.554 0.134 0.000 2.701 1004 T HA -0.210 4.150 4.350 0.017 0.000 0.263 1004 T C 1.902 176.783 174.700 0.303 0.000 1.040 1004 T CA 2.094 64.316 62.100 0.202 0.000 1.147 1004 T CB -0.337 68.654 68.868 0.205 0.000 0.865 1004 T HN 0.562 nan 8.240 nan 0.000 0.426 1005 Q N 0.069 120.000 119.800 0.218 0.000 2.364 1005 Q HA -0.018 4.332 4.340 0.017 0.000 0.207 1005 Q C 2.399 178.520 176.000 0.201 0.000 0.970 1005 Q CA 0.908 56.844 55.803 0.222 0.000 0.888 1005 Q CB -0.148 28.662 28.738 0.120 0.000 0.951 1005 Q HN 0.547 nan 8.270 nan 0.000 0.469 1006 A N 0.217 123.136 122.820 0.166 0.000 1.855 1006 A HA -0.127 4.204 4.320 0.017 0.000 0.215 1006 A C 2.012 179.564 177.584 -0.053 0.000 1.191 1006 A CA 1.510 53.611 52.037 0.106 0.000 0.613 1006 A CB -0.762 18.361 19.000 0.205 0.000 0.829 1006 A HN 0.346 nan 8.150 nan 0.000 0.442 1007 V N -4.232 115.602 119.914 -0.134 0.000 3.444 1007 V HA 0.029 4.159 4.120 0.017 0.000 0.271 1007 V C 1.717 177.329 176.094 -0.803 0.000 1.188 1007 V CA 1.488 63.503 62.300 -0.476 0.000 1.168 1007 V CB -1.184 30.359 31.823 -0.467 0.000 0.810 1007 V HN 0.401 nan 8.190 nan 0.000 0.500 1008 F N 0.076 119.935 119.950 -0.151 0.000 2.536 1008 F HA 0.277 4.813 4.527 0.015 0.000 0.278 1008 F C 2.327 178.138 175.800 0.018 0.000 0.945 1008 F CA 0.724 58.750 58.000 0.044 0.000 1.244 1008 F CB -0.256 38.871 39.000 0.212 0.000 1.118 1008 F HN -0.112 nan 8.300 nan 0.000 0.725 1009 K N 0.876 121.403 120.400 0.211 0.000 2.097 1009 K HA -0.332 3.998 4.320 0.017 0.000 0.214 1009 K C 2.008 178.611 176.600 0.005 0.000 1.052 1009 K CA 2.107 58.456 56.287 0.104 0.000 0.932 1009 K CB -0.373 32.167 32.500 0.066 0.000 0.716 1009 K HN 0.105 nan 8.250 nan 0.000 0.455 1010 N N 0.112 118.755 118.700 -0.096 0.000 2.061 1010 N HA -0.191 4.559 4.740 0.017 0.000 0.193 1010 N C 1.629 177.028 175.510 -0.185 0.000 1.030 1010 N CA 1.667 54.596 53.050 -0.202 0.000 0.856 1010 N CB -0.329 37.982 38.487 -0.293 0.000 1.023 1010 N HN 0.160 nan 8.380 nan 0.000 0.424 1011 F N 1.126 121.017 119.950 -0.099 0.000 2.216 1011 F HA 0.025 4.564 4.527 0.020 0.000 0.300 1011 F C 2.088 177.668 175.800 -0.367 0.000 1.085 1011 F CA 0.582 58.439 58.000 -0.239 0.000 1.326 1011 F CB -0.662 38.073 39.000 -0.441 0.000 1.027 1011 F HN 0.194 nan 8.300 nan 0.000 0.497 1012 E N 0.007 120.196 120.200 -0.018 0.000 2.320 1012 E HA -0.031 4.330 4.350 0.017 0.000 0.189 1012 E C 0.820 177.402 176.600 -0.030 0.000 1.100 1012 E CA 0.144 56.536 56.400 -0.013 0.000 1.009 1012 E CB 0.068 29.843 29.700 0.124 0.000 1.145 1012 E HN 0.337 nan 8.360 nan 0.000 0.454 1013 E N -0.682 119.468 120.200 -0.084 0.000 3.777 1013 E HA 0.049 4.410 4.350 0.017 0.000 0.247 1013 E C 0.985 177.500 176.600 -0.142 0.000 1.256 1013 E CA -0.007 56.336 56.400 -0.096 0.000 1.786 1013 E CB -0.225 29.412 29.700 -0.104 0.000 1.722 1013 E HN 0.172 nan 8.360 nan 0.000 0.810 1014 N N 0.197 118.719 118.700 -0.295 0.000 2.356 1014 N HA 0.040 4.790 4.740 0.017 0.000 0.178 1014 N C -0.342 174.951 175.510 -0.363 0.000 1.075 1014 N CA 0.527 53.315 53.050 -0.437 0.000 0.889 1014 N CB 0.581 38.626 38.487 -0.737 0.000 0.999 1014 N HN 0.128 nan 8.380 nan 0.000 0.464 1015 Y N -0.884 119.449 120.300 0.055 0.000 2.317 1015 Y HA 0.418 4.976 4.550 0.013 0.000 0.325 1015 Y C -2.180 173.679 175.900 -0.070 0.000 1.066 1015 Y CA -2.226 55.911 58.100 0.061 0.000 1.203 1015 Y CB 1.951 40.484 38.460 0.122 0.000 1.127 1015 Y HN -0.174 nan 8.280 nan 0.000 0.451 1016 P HA 0.080 nan 4.420 nan 0.000 0.218 1016 P C 0.120 177.329 177.300 -0.151 0.000 1.147 1016 P CA 0.751 63.763 63.100 -0.148 0.000 0.863 1016 P CB 0.409 31.979 31.700 -0.216 0.000 0.812 1017 F N -0.174 119.813 119.950 0.060 0.000 2.980 1017 F HA 0.241 4.766 4.527 -0.004 0.000 0.299 1017 F C 0.833 176.681 175.800 0.081 0.000 1.211 1017 F CA -0.958 57.094 58.000 0.088 0.000 1.328 1017 F CB -1.201 37.819 39.000 0.033 0.000 1.154 1017 F HN -0.124 nan 8.300 nan 0.000 0.528 1018 N N 2.396 121.170 118.700 0.124 0.000 2.475 1018 N HA 0.050 4.800 4.740 0.017 0.000 0.267 1018 N C -1.750 173.773 175.510 0.022 0.000 1.169 1018 N CA -1.586 51.449 53.050 -0.025 0.000 0.947 1018 N CB 1.439 39.706 38.487 -0.368 0.000 1.061 1018 N HN 0.011 nan 8.380 nan 0.000 0.466 1019 P HA -0.158 nan 4.420 nan 0.000 0.219 1019 P C 1.101 178.414 177.300 0.021 0.000 1.144 1019 P CA 0.847 63.983 63.100 0.061 0.000 0.806 1019 P CB 0.368 32.092 31.700 0.040 0.000 0.771 1020 L N -3.032 118.168 121.223 -0.037 0.000 2.269 1020 L HA 0.066 4.416 4.340 0.017 0.000 0.200 1020 L C 2.321 179.168 176.870 -0.037 0.000 1.069 1020 L CA 0.853 55.673 54.840 -0.033 0.000 0.804 1020 L CB -1.110 40.932 42.059 -0.028 0.000 0.987 1020 L HN -0.157 nan 8.230 nan 0.000 0.468 1021 Y N -0.319 119.776 120.300 -0.341 0.000 2.165 1021 Y HA -0.226 4.331 4.550 0.013 0.000 0.286 1021 Y C 2.062 177.902 175.900 -0.100 0.000 1.155 1021 Y CA 2.116 60.066 58.100 -0.250 0.000 1.164 1021 Y CB -0.687 37.386 38.460 -0.644 0.000 0.978 1021 Y HN 0.017 nan 8.280 nan 0.000 0.513 1022 V N 1.293 121.210 119.914 0.004 0.000 2.214 1022 V HA -0.451 3.680 4.120 0.017 0.000 0.247 1022 V C 2.454 178.356 176.094 -0.320 0.000 1.051 1022 V CA 2.817 65.007 62.300 -0.182 0.000 1.003 1022 V CB -1.057 30.743 31.823 -0.038 0.000 0.635 1022 V HN 0.502 nan 8.190 nan 0.000 0.447 1023 M N 0.399 119.900 119.600 -0.165 0.000 2.192 1023 M HA -0.244 4.247 4.480 0.017 0.000 0.256 1023 M C 2.172 178.387 176.300 -0.142 0.000 1.076 1023 M CA 2.259 57.481 55.300 -0.129 0.000 1.075 1023 M CB -0.717 31.858 32.600 -0.043 0.000 1.368 1023 M HN 0.453 nan 8.290 nan 0.000 0.406 1024 A N -0.765 121.966 122.820 -0.148 0.000 2.016 1024 A HA -0.072 4.259 4.320 0.017 0.000 0.217 1024 A C 2.139 179.586 177.584 -0.229 0.000 1.162 1024 A CA 0.929 52.896 52.037 -0.116 0.000 0.662 1024 A CB -0.150 18.866 19.000 0.027 0.000 0.812 1024 A HN 0.510 nan 8.150 nan 0.000 0.450 1025 Q N 0.094 119.659 119.800 -0.391 0.000 2.304 1025 Q HA 0.050 4.401 4.340 0.017 0.000 0.204 1025 Q C 0.796 176.644 176.000 -0.253 0.000 0.936 1025 Q CA 0.762 56.349 55.803 -0.360 0.000 0.878 1025 Q CB -0.081 28.362 28.738 -0.491 0.000 0.983 1025 Q HN 0.664 nan 8.270 nan 0.000 0.516 1026 S N 0.021 115.459 115.700 -0.436 0.000 2.528 1026 S HA 0.255 4.735 4.470 0.017 0.000 0.277 1026 S C 1.328 175.826 174.600 -0.170 0.000 1.297 1026 S CA -0.022 57.965 58.200 -0.355 0.000 1.052 1026 S CB 1.272 63.995 63.200 -0.795 0.000 0.917 1026 S HN 0.370 nan 8.310 nan 0.000 0.492 1027 G N 3.255 112.021 108.800 -0.056 0.000 2.745 1027 G HA2 -0.286 3.684 3.960 0.017 0.000 0.225 1027 G HA3 -0.286 3.684 3.960 0.017 0.000 0.225 1027 G C 1.465 176.350 174.900 -0.026 0.000 1.108 1027 G CA 1.514 46.599 45.100 -0.025 0.000 0.749 1027 G HN 1.498 nan 8.290 nan 0.000 0.625 1028 A N -0.522 122.278 122.820 -0.033 0.000 2.033 1028 A HA -0.215 4.115 4.320 0.017 0.000 0.282 1028 A C 1.526 179.110 177.584 -0.001 0.000 2.983 1028 A CA 2.557 54.586 52.037 -0.014 0.000 0.987 1028 A CB -0.450 18.519 19.000 -0.052 0.000 0.716 1028 A HN 0.609 nan 8.150 nan 0.000 0.495 1029 R N -3.917 116.572 120.500 -0.018 0.000 2.826 1029 R HA 0.488 4.838 4.340 0.017 0.000 0.269 1029 R C 0.078 176.379 176.300 0.002 0.000 1.031 1029 R CA 0.075 56.175 56.100 0.001 0.000 0.900 1029 R CB 0.677 30.985 30.300 0.013 0.000 1.318 1029 R HN 2.226 nan 8.270 nan 0.000 0.447 1030 G N 1.175 109.988 108.800 0.022 0.000 2.615 1030 G HA2 -0.154 3.816 3.960 0.017 0.000 0.218 1030 G HA3 -0.154 3.816 3.960 0.017 0.000 0.218 1030 G C -1.353 173.578 174.900 0.052 0.000 1.339 1030 G CA 0.097 45.224 45.100 0.045 0.000 0.884 1030 G HN 0.884 nan 8.290 nan 0.000 0.559 1031 N N -0.804 117.950 118.700 0.090 0.000 3.186 1031 N HA 0.441 5.192 4.740 0.017 0.000 0.230 1031 N C -2.066 173.546 175.510 0.170 0.000 1.062 1031 N CA -0.479 52.625 53.050 0.090 0.000 1.084 1031 N CB 1.461 39.988 38.487 0.067 0.000 1.662 1031 N HN 0.153 nan 8.380 nan 0.000 0.627 1032 P HA -0.189 nan 4.420 nan 0.000 0.219 1032 P C 0.851 178.322 177.300 0.285 0.000 1.144 1032 P CA 1.333 64.620 63.100 0.310 0.000 0.806 1032 P CB 0.409 32.082 31.700 -0.045 0.000 0.771 1033 Q N -0.582 119.315 119.800 0.162 0.000 2.062 1033 Q HA -0.118 4.233 4.340 0.017 0.000 0.196 1033 Q C 2.212 178.301 176.000 0.148 0.000 0.967 1033 Q CA 1.550 57.433 55.803 0.134 0.000 0.832 1033 Q CB -0.599 28.190 28.738 0.086 0.000 0.899 1033 Q HN 0.250 nan 8.270 nan 0.000 0.442 1034 Q N -0.545 119.344 119.800 0.147 0.000 2.170 1034 Q HA -0.112 4.239 4.340 0.017 0.000 0.203 1034 Q C 1.660 177.768 176.000 0.181 0.000 0.976 1034 Q CA 1.072 56.966 55.803 0.152 0.000 0.858 1034 Q CB 0.033 28.845 28.738 0.124 0.000 0.907 1034 Q HN 0.393 nan 8.270 nan 0.000 0.433 1035 I N 0.263 120.964 120.570 0.219 0.000 2.500 1035 I HA -0.160 4.020 4.170 0.017 0.000 0.252 1035 I C 2.124 178.323 176.117 0.136 0.000 1.142 1035 I CA 0.993 62.416 61.300 0.206 0.000 1.451 1035 I CB -0.787 37.394 38.000 0.301 0.000 1.093 1035 I HN 0.215 nan 8.210 nan 0.000 0.430 1036 R N 1.550 122.147 120.500 0.162 0.000 2.346 1036 R HA -0.065 4.286 4.340 0.017 0.000 0.199 1036 R C 1.321 177.663 176.300 0.068 0.000 1.015 1036 R CA 0.535 56.696 56.100 0.103 0.000 1.058 1036 R CB 0.155 30.548 30.300 0.154 0.000 0.921 1036 R HN 0.503 nan 8.270 nan 0.000 0.475 1037 Q N -0.578 119.280 119.800 0.096 0.000 2.317 1037 Q HA 0.072 4.422 4.340 0.017 0.000 0.220 1037 Q C 1.196 177.249 176.000 0.088 0.000 0.873 1037 Q CA 0.155 55.987 55.803 0.048 0.000 0.936 1037 Q CB 0.600 29.410 28.738 0.119 0.000 1.105 1037 Q HN 0.214 nan 8.270 nan 0.000 0.520 1038 L N -1.307 120.024 121.223 0.179 0.000 2.286 1038 L HA 0.009 4.359 4.340 0.017 0.000 0.203 1038 L C 1.877 178.817 176.870 0.117 0.000 1.068 1038 L CA 0.894 55.869 54.840 0.224 0.000 0.811 1038 L CB -0.119 42.069 42.059 0.215 0.000 0.989 1038 L HN 0.187 nan 8.230 nan 0.000 0.467 1039 C N -0.951 118.393 119.300 0.073 0.000 2.810 1039 C HA 0.400 4.870 4.460 0.017 0.000 0.283 1039 C C 2.416 177.408 174.990 0.005 0.000 1.408 1039 C CA -0.016 59.023 59.018 0.035 0.000 1.727 1039 C CB -1.331 26.415 27.740 0.011 0.000 2.089 1039 C HN 0.514 nan 8.230 nan 0.000 0.608 1040 G N 0.980 109.775 108.800 -0.008 0.000 2.713 1040 G HA2 0.347 4.317 3.960 0.017 0.000 0.170 1040 G HA3 0.347 4.317 3.960 0.017 0.000 0.170 1040 G C -0.013 174.888 174.900 0.002 0.000 1.724 1040 G CA 1.069 46.174 45.100 0.009 0.000 0.892 1040 G HN 0.750 nan 8.290 nan 0.000 0.376 1041 L N -2.468 118.756 121.223 0.002 0.000 2.465 1041 L HA 0.692 5.042 4.340 0.017 0.000 0.257 1041 L C -0.652 176.178 176.870 -0.066 0.000 0.988 1041 L CA -1.297 53.515 54.840 -0.047 0.000 0.827 1041 L CB 2.337 44.382 42.059 -0.023 0.000 1.397 1041 L HN 0.524 nan 8.230 nan 0.000 0.410 1042 R N 1.757 122.168 120.500 -0.149 0.000 2.565 1042 R HA 0.422 4.772 4.340 0.017 0.000 0.286 1042 R C 0.710 176.931 176.300 -0.131 0.000 1.256 1042 R CA -0.032 55.979 56.100 -0.148 0.000 1.238 1042 R CB 0.599 30.739 30.300 -0.266 0.000 1.153 1042 R HN 0.925 nan 8.270 nan 0.000 0.553 1043 G N 3.388 112.143 108.800 -0.075 0.000 2.912 1043 G HA2 -0.249 3.722 3.960 0.017 0.000 0.214 1043 G HA3 -0.249 3.722 3.960 0.017 0.000 0.214 1043 G C 0.269 175.084 174.900 -0.141 0.000 1.341 1043 G CA 0.546 45.597 45.100 -0.083 0.000 0.794 1043 G HN 0.457 nan 8.290 nan 0.000 0.691 1044 L N -0.666 120.514 121.223 -0.072 0.000 2.346 1044 L HA 0.646 4.996 4.340 0.017 0.000 0.274 1044 L C -0.545 176.313 176.870 -0.020 0.000 1.007 1044 L CA -0.827 53.978 54.840 -0.058 0.000 0.818 1044 L CB 2.249 44.302 42.059 -0.009 0.000 1.284 1044 L HN 0.234 nan 8.230 nan 0.000 0.424 1045 M N 2.016 121.619 119.600 0.006 0.000 2.535 1045 M HA 0.408 4.899 4.480 0.017 0.000 0.314 1045 M C -0.690 175.718 176.300 0.181 0.000 1.153 1045 M CA -0.475 54.846 55.300 0.036 0.000 0.924 1045 M CB 2.273 34.837 32.600 -0.059 0.000 1.710 1045 M HN 0.503 nan 8.290 nan 0.000 0.451 1046 Q N 1.264 121.172 119.800 0.180 0.000 2.195 1046 Q HA 0.662 5.013 4.340 0.017 0.000 0.250 1046 Q C -0.987 175.189 176.000 0.293 0.000 0.988 1046 Q CA -1.101 54.841 55.803 0.231 0.000 0.911 1046 Q CB 1.519 30.326 28.738 0.114 0.000 1.258 1046 Q HN 0.446 nan 8.270 nan 0.000 0.475 1047 K N 0.402 120.887 120.400 0.141 0.000 2.087 1047 K HA 0.200 4.531 4.320 0.017 0.000 0.255 1047 K C -1.975 174.597 176.600 -0.047 0.000 0.988 1047 K CA -2.053 54.231 56.287 -0.004 0.000 0.915 1047 K CB 0.687 33.010 32.500 -0.295 0.000 1.043 1047 K HN 0.361 nan 8.250 nan 0.000 0.457 1048 P HA -0.250 nan 4.420 nan 0.000 0.223 1048 P C 0.995 178.301 177.300 0.009 0.000 1.140 1048 P CA 1.345 64.454 63.100 0.015 0.000 0.783 1048 P CB 0.175 31.916 31.700 0.069 0.000 0.759 1049 S N -2.725 112.960 115.700 -0.026 0.000 2.404 1049 S HA 0.207 4.687 4.470 0.017 0.000 0.223 1049 S C 1.787 176.381 174.600 -0.010 0.000 1.040 1049 S CA 1.196 59.382 58.200 -0.024 0.000 0.957 1049 S CB -0.568 62.598 63.200 -0.058 0.000 0.826 1049 S HN 0.257 nan 8.310 nan 0.000 0.491 1050 G N 1.348 110.143 108.800 -0.008 0.000 2.705 1050 G HA2 -0.137 3.833 3.960 0.017 0.000 0.193 1050 G HA3 -0.137 3.833 3.960 0.017 0.000 0.193 1050 G C -0.195 174.720 174.900 0.025 0.000 1.015 1050 G CA -0.119 44.989 45.100 0.015 0.000 0.743 1050 G HN 0.799 nan 8.290 nan 0.000 0.476 1051 E N 2.142 122.339 120.200 -0.004 0.000 2.344 1051 E HA 0.463 4.824 4.350 0.017 0.000 0.270 1051 E C 0.527 177.157 176.600 0.049 0.000 1.021 1051 E CA 0.208 56.627 56.400 0.032 0.000 0.887 1051 E CB 0.598 30.250 29.700 -0.080 0.000 0.997 1051 E HN 0.395 nan 8.360 nan 0.000 0.429 1052 T N 1.086 115.745 114.554 0.174 0.000 2.882 1052 T HA 0.240 4.601 4.350 0.017 0.000 0.287 1052 T C -0.075 174.730 174.700 0.174 0.000 1.014 1052 T CA -0.780 61.422 62.100 0.170 0.000 1.049 1052 T CB 0.286 69.230 68.868 0.127 0.000 1.001 1052 T HN 0.346 nan 8.240 nan 0.000 0.525 1053 F N 1.176 121.162 119.950 0.061 0.000 2.518 1053 F HA 0.234 4.772 4.527 0.018 0.000 0.359 1053 F C 1.852 177.686 175.800 0.058 0.000 1.118 1053 F CA -0.316 57.716 58.000 0.052 0.000 1.287 1053 F CB 0.491 39.485 39.000 -0.009 0.000 1.132 1053 F HN 0.870 nan 8.300 nan 0.000 0.587 1054 E N 1.176 121.500 120.200 0.205 0.000 2.106 1054 E HA -0.061 4.299 4.350 0.017 0.000 0.192 1054 E C -0.078 176.582 176.600 0.099 0.000 0.984 1054 E CA 0.578 57.075 56.400 0.162 0.000 0.806 1054 E CB 0.279 30.072 29.700 0.155 0.000 0.750 1054 E HN 0.293 nan 8.360 nan 0.000 0.458 1055 V N 3.669 123.652 119.914 0.116 0.000 2.339 1055 V HA 0.169 4.299 4.120 0.017 0.000 0.261 1055 V C -2.041 173.959 176.094 -0.157 0.000 1.058 1055 V CA -1.375 60.916 62.300 -0.014 0.000 0.897 1055 V CB 0.448 32.298 31.823 0.046 0.000 1.052 1055 V HN 0.142 nan 8.190 nan 0.000 0.480 1056 P HA 0.110 nan 4.420 nan 0.000 0.280 1056 P C -0.365 176.707 177.300 -0.381 0.000 1.278 1056 P CA -0.169 62.610 63.100 -0.535 0.000 0.787 1056 P CB 0.505 31.508 31.700 -1.161 0.000 1.163 1057 V N 1.341 121.057 119.914 -0.330 0.000 2.235 1057 V HA 0.180 4.311 4.120 0.017 0.000 0.266 1057 V C 1.428 177.385 176.094 -0.228 0.000 1.055 1057 V CA -0.161 61.997 62.300 -0.237 0.000 0.844 1057 V CB 0.349 32.051 31.823 -0.200 0.000 1.097 1057 V HN 0.405 nan 8.190 nan 0.000 0.453 1058 R N 1.523 121.885 120.500 -0.230 0.000 2.228 1058 R HA -0.143 4.208 4.340 0.017 0.000 0.259 1058 R C 1.230 177.477 176.300 -0.088 0.000 1.183 1058 R CA 1.361 57.371 56.100 -0.150 0.000 1.002 1058 R CB -0.165 30.085 30.300 -0.084 0.000 0.879 1058 R HN 0.658 nan 8.270 nan 0.000 0.467 1059 S N -0.929 114.711 115.700 -0.101 0.000 2.645 1059 S HA 0.358 4.839 4.470 0.017 0.000 0.266 1059 S C 0.172 174.689 174.600 -0.139 0.000 1.258 1059 S CA -0.361 57.787 58.200 -0.086 0.000 0.990 1059 S CB 1.630 64.792 63.200 -0.062 0.000 0.967 1059 S HN 0.410 nan 8.310 nan 0.000 0.556 1060 S N -0.249 115.387 115.700 -0.107 0.000 2.798 1060 S HA 0.609 5.089 4.470 0.017 0.000 0.312 1060 S C 0.021 174.554 174.600 -0.111 0.000 1.122 1060 S CA -0.642 57.473 58.200 -0.142 0.000 0.949 1060 S CB 0.081 63.264 63.200 -0.028 0.000 1.235 1060 S HN 0.408 nan 8.310 nan 0.000 0.552 1061 F N 0.569 120.542 119.950 0.037 0.000 2.569 1061 F HA 0.334 4.871 4.527 0.017 0.000 0.295 1061 F C 2.585 178.408 175.800 0.039 0.000 1.115 1061 F CA -0.083 57.944 58.000 0.045 0.000 1.450 1061 F CB -0.383 38.645 39.000 0.046 0.000 1.107 1061 F HN 0.468 nan 8.300 nan 0.000 0.563 1062 R N 1.390 122.011 120.500 0.202 0.000 2.082 1062 R HA -0.126 4.224 4.340 0.017 0.000 0.228 1062 R C 0.577 176.935 176.300 0.097 0.000 1.140 1062 R CA 1.163 57.339 56.100 0.126 0.000 0.920 1062 R CB -0.694 29.660 30.300 0.090 0.000 0.828 1062 R HN 0.307 nan 8.270 nan 0.000 0.430 1063 E N -0.629 119.615 120.200 0.072 0.000 2.313 1063 E HA 0.283 4.644 4.350 0.017 0.000 0.272 1063 E C -0.653 175.991 176.600 0.073 0.000 1.038 1063 E CA -0.174 56.260 56.400 0.057 0.000 0.863 1063 E CB 0.946 30.668 29.700 0.036 0.000 1.060 1063 E HN 0.392 nan 8.360 nan 0.000 0.402 1064 G N 3.808 112.649 108.800 0.069 0.000 2.299 1064 G HA2 0.118 4.088 3.960 0.017 0.000 0.256 1064 G HA3 0.118 4.088 3.960 0.017 0.000 0.256 1064 G C -0.221 174.730 174.900 0.086 0.000 1.259 1064 G CA -0.395 44.758 45.100 0.087 0.000 0.943 1064 G HN 0.504 nan 8.290 nan 0.000 0.479 1065 L N 3.452 124.759 121.223 0.140 0.000 2.543 1065 L HA 0.237 4.588 4.340 0.017 0.000 0.285 1065 L C 1.449 178.397 176.870 0.130 0.000 1.236 1065 L CA 0.407 55.325 54.840 0.131 0.000 0.871 1065 L CB 0.242 42.463 42.059 0.270 0.000 1.121 1065 L HN 0.726 nan 8.230 nan 0.000 0.501 1066 T N 1.272 115.881 114.554 0.092 0.000 2.771 1066 T HA 0.308 4.668 4.350 0.017 0.000 0.290 1066 T C 1.329 176.105 174.700 0.126 0.000 1.005 1066 T CA -0.114 62.033 62.100 0.079 0.000 0.944 1066 T CB 0.471 69.366 68.868 0.044 0.000 1.147 1066 T HN 0.392 nan 8.240 nan 0.000 0.534 1067 V N 0.354 120.322 119.914 0.090 0.000 2.427 1067 V HA -0.035 4.096 4.120 0.017 0.000 0.248 1067 V C 2.564 178.765 176.094 0.179 0.000 1.051 1067 V CA 1.369 63.741 62.300 0.120 0.000 1.048 1067 V CB -1.120 30.749 31.823 0.077 0.000 0.666 1067 V HN 0.697 nan 8.190 nan 0.000 0.456 1068 L N -0.583 120.706 121.223 0.110 0.000 2.202 1068 L HA 0.002 4.352 4.340 0.017 0.000 0.205 1068 L C 2.521 179.431 176.870 0.067 0.000 1.083 1068 L CA 1.280 56.168 54.840 0.080 0.000 0.790 1068 L CB -0.367 41.692 42.059 -0.000 0.000 0.942 1068 L HN 0.260 nan 8.230 nan 0.000 0.452 1069 E N -1.141 119.088 120.200 0.048 0.000 2.110 1069 E HA -0.286 4.074 4.350 0.017 0.000 0.193 1069 E C 1.884 178.511 176.600 0.044 0.000 0.988 1069 E CA 1.448 57.848 56.400 0.000 0.000 0.804 1069 E CB -0.150 29.543 29.700 -0.011 0.000 0.745 1069 E HN 0.457 nan 8.360 nan 0.000 0.458 1070 Y N -0.681 119.636 120.300 0.029 0.000 2.352 1070 Y HA -0.191 4.369 4.550 0.017 0.000 0.292 1070 Y C 1.844 177.779 175.900 0.058 0.000 1.136 1070 Y CA 1.017 59.143 58.100 0.044 0.000 1.227 1070 Y CB 0.152 38.639 38.460 0.044 0.000 0.991 1070 Y HN 0.040 nan 8.280 nan 0.000 0.545 1071 F N -0.764 119.206 119.950 0.033 0.000 2.317 1071 F HA -0.055 4.483 4.527 0.017 0.000 0.290 1071 F C 2.014 177.721 175.800 -0.155 0.000 1.075 1071 F CA 0.502 58.468 58.000 -0.057 0.000 1.380 1071 F CB -0.675 38.303 39.000 -0.036 0.000 1.093 1071 F HN -0.099 nan 8.300 nan 0.000 0.524 1072 I N -0.083 120.582 120.570 0.159 0.000 2.145 1072 I HA -0.349 3.832 4.170 0.017 0.000 0.244 1072 I C 2.661 178.735 176.117 -0.072 0.000 1.075 1072 I CA 1.974 63.207 61.300 -0.111 0.000 1.332 1072 I CB -1.488 36.350 38.000 -0.270 0.000 1.033 1072 I HN 0.216 nan 8.210 nan 0.000 0.410 1073 S N -0.010 115.632 115.700 -0.096 0.000 2.453 1073 S HA -0.100 4.381 4.470 0.017 0.000 0.231 1073 S C 2.216 176.739 174.600 -0.128 0.000 1.005 1073 S CA 1.358 59.481 58.200 -0.127 0.000 0.949 1073 S CB -0.144 62.941 63.200 -0.192 0.000 0.774 1073 S HN 0.663 nan 8.310 nan 0.000 0.510 1074 S N 1.190 116.784 115.700 -0.177 0.000 2.348 1074 S HA -0.209 4.272 4.470 0.017 0.000 0.221 1074 S C 1.691 176.239 174.600 -0.087 0.000 1.033 1074 S CA 1.175 59.243 58.200 -0.220 0.000 1.010 1074 S CB -1.225 61.747 63.200 -0.381 0.000 0.891 1074 S HN 0.647 nan 8.310 nan 0.000 0.442 1075 H N 2.082 121.137 119.070 -0.025 0.000 2.079 1075 H HA -0.211 4.355 4.556 0.017 0.000 0.202 1075 H C 2.476 177.816 175.328 0.020 0.000 1.107 1075 H CA 2.169 58.246 56.048 0.047 0.000 1.569 1075 H CB -1.376 28.451 29.762 0.107 0.000 1.914 1075 H HN 0.579 nan 8.280 nan 0.000 0.843 1076 G N 0.251 109.159 108.800 0.180 0.000 2.516 1076 G HA2 -0.153 3.818 3.960 0.017 0.000 0.221 1076 G HA3 -0.153 3.818 3.960 0.017 0.000 0.221 1076 G C 1.872 176.798 174.900 0.044 0.000 1.107 1076 G CA 1.469 46.624 45.100 0.092 0.000 0.747 1076 G HN 0.660 nan 8.290 nan 0.000 0.567 1077 A N 1.250 124.078 122.820 0.012 0.000 1.842 1077 A HA -0.102 4.228 4.320 0.017 0.000 0.217 1077 A C 2.495 180.078 177.584 -0.001 0.000 1.206 1077 A CA 1.723 53.750 52.037 -0.016 0.000 0.630 1077 A CB -0.501 18.462 19.000 -0.061 0.000 0.839 1077 A HN 0.308 nan 8.150 nan 0.000 0.447 1078 R N 0.236 120.736 120.500 -0.000 0.000 2.091 1078 R HA -0.188 4.162 4.340 0.017 0.000 0.238 1078 R C 2.201 178.516 176.300 0.025 0.000 1.136 1078 R CA 1.761 57.866 56.100 0.009 0.000 0.959 1078 R CB -0.617 29.690 30.300 0.012 0.000 0.856 1078 R HN 0.841 nan 8.270 nan 0.000 0.437 1079 K N 0.155 120.581 120.400 0.044 0.000 2.442 1079 K HA -0.095 4.236 4.320 0.017 0.000 0.200 1079 K C 1.773 178.389 176.600 0.027 0.000 1.045 1079 K CA 1.638 57.951 56.287 0.043 0.000 0.937 1079 K CB -0.178 32.356 32.500 0.057 0.000 0.757 1079 K HN 0.171 nan 8.250 nan 0.000 0.474 1080 G N 0.937 109.750 108.800 0.021 0.000 2.524 1080 G HA2 -0.011 3.960 3.960 0.017 0.000 0.210 1080 G HA3 -0.011 3.960 3.960 0.017 0.000 0.210 1080 G C 1.601 176.506 174.900 0.009 0.000 1.187 1080 G CA 0.267 45.374 45.100 0.013 0.000 0.825 1080 G HN 0.370 nan 8.290 nan 0.000 0.558 1081 G N 1.353 110.157 108.800 0.007 0.000 2.469 1081 G HA2 0.011 3.982 3.960 0.017 0.000 0.219 1081 G HA3 0.011 3.982 3.960 0.017 0.000 0.219 1081 G C 1.894 176.800 174.900 0.010 0.000 1.150 1081 G CA 1.461 46.565 45.100 0.006 0.000 0.763 1081 G HN 0.743 nan 8.290 nan 0.000 0.561 1082 A N -0.282 122.546 122.820 0.014 0.000 2.292 1082 A HA 0.077 4.407 4.320 0.017 0.000 0.209 1082 A C 1.712 179.305 177.584 0.016 0.000 1.209 1082 A CA 1.984 54.031 52.037 0.017 0.000 0.746 1082 A CB -0.313 18.701 19.000 0.023 0.000 0.764 1082 A HN 0.389 nan 8.150 nan 0.000 0.492 1083 D N -2.157 118.250 120.400 0.011 0.000 2.626 1083 D HA -0.010 4.641 4.640 0.017 0.000 0.274 1083 D C 2.316 178.620 176.300 0.006 0.000 1.045 1083 D CA 1.271 55.275 54.000 0.006 0.000 0.925 1083 D CB 0.170 40.969 40.800 -0.001 0.000 1.260 1083 D HN 0.384 nan 8.370 nan 0.000 0.490 1084 T N -0.400 114.158 114.554 0.007 0.000 2.607 1084 T HA -0.247 4.114 4.350 0.017 0.000 0.267 1084 T C 2.109 176.818 174.700 0.015 0.000 1.049 1084 T CA 1.912 64.018 62.100 0.010 0.000 1.162 1084 T CB -0.960 67.913 68.868 0.009 0.000 0.863 1084 T HN 0.079 nan 8.240 nan 0.000 0.424 1085 A N 2.160 124.990 122.820 0.016 0.000 1.881 1085 A HA -0.071 4.259 4.320 0.017 0.000 0.219 1085 A C 2.309 179.908 177.584 0.025 0.000 1.215 1085 A CA 2.123 54.172 52.037 0.020 0.000 0.648 1085 A CB -1.248 17.763 19.000 0.018 0.000 0.832 1085 A HN 0.478 nan 8.150 nan 0.000 0.455 1086 L N -1.350 119.888 121.223 0.025 0.000 2.633 1086 L HA 0.043 4.394 4.340 0.017 0.000 0.235 1086 L C 2.222 179.110 176.870 0.031 0.000 1.163 1086 L CA 1.651 56.510 54.840 0.032 0.000 0.859 1086 L CB -0.587 41.491 42.059 0.032 0.000 0.973 1086 L HN 0.439 nan 8.230 nan 0.000 0.451 1087 R N -2.480 118.034 120.500 0.024 0.000 2.446 1087 R HA 0.116 4.467 4.340 0.017 0.000 0.254 1087 R C 1.737 178.058 176.300 0.035 0.000 0.918 1087 R CA 0.544 56.657 56.100 0.022 0.000 1.069 1087 R CB 0.179 30.482 30.300 0.005 0.000 1.194 1087 R HN 0.143 nan 8.270 nan 0.000 0.534 1088 T N -0.110 114.464 114.554 0.034 0.000 2.866 1088 T HA 0.172 4.532 4.350 0.017 0.000 0.250 1088 T C 1.749 176.476 174.700 0.045 0.000 1.033 1088 T CA 0.835 62.957 62.100 0.037 0.000 1.145 1088 T CB -0.357 68.528 68.868 0.029 0.000 0.866 1088 T HN 0.286 nan 8.240 nan 0.000 0.434 1089 A N 2.119 124.966 122.820 0.045 0.000 2.182 1089 A HA -0.233 4.098 4.320 0.017 0.000 0.235 1089 A C 1.174 178.794 177.584 0.059 0.000 1.757 1089 A CA 2.057 54.124 52.037 0.049 0.000 0.923 1089 A CB -1.025 18.008 19.000 0.056 0.000 0.784 1089 A HN 0.491 nan 8.150 nan 0.000 0.514 1090 D N -1.517 118.934 120.400 0.085 0.000 2.392 1090 D HA 0.440 5.091 4.640 0.017 0.000 0.228 1090 D C 0.156 176.526 176.300 0.118 0.000 1.074 1090 D CA 0.364 54.425 54.000 0.101 0.000 0.838 1090 D CB 1.345 42.229 40.800 0.140 0.000 1.067 1090 D HN 0.134 nan 8.370 nan 0.000 0.511 1091 S N 2.060 117.813 115.700 0.089 0.000 2.671 1091 S HA 0.214 4.695 4.470 0.017 0.000 0.220 1091 S C 1.209 175.867 174.600 0.097 0.000 0.951 1091 S CA 0.274 58.527 58.200 0.089 0.000 0.932 1091 S CB -0.000 63.242 63.200 0.070 0.000 0.777 1091 S HN 0.566 nan 8.310 nan 0.000 0.508 1092 G N -0.530 108.332 108.800 0.103 0.000 3.695 1092 G HA2 0.117 4.088 3.960 0.017 0.000 0.277 1092 G HA3 0.117 4.088 3.960 0.017 0.000 0.277 1092 G C 0.556 175.512 174.900 0.094 0.000 1.001 1092 G CA -0.191 44.955 45.100 0.077 0.000 0.837 1092 G HN 0.491 nan 8.290 nan 0.000 0.492 1093 Y N 1.036 121.371 120.300 0.059 0.000 2.069 1093 Y HA -0.204 4.357 4.550 0.017 0.000 0.278 1093 Y C 2.215 178.169 175.900 0.090 0.000 1.175 1093 Y CA 2.188 60.341 58.100 0.088 0.000 1.134 1093 Y CB -0.067 38.484 38.460 0.152 0.000 0.965 1093 Y HN 0.208 nan 8.280 nan 0.000 0.498 1094 L N -0.517 120.919 121.223 0.354 0.000 1.960 1094 L HA -0.108 4.242 4.340 0.017 0.000 0.209 1094 L C 2.335 179.228 176.870 0.039 0.000 1.090 1094 L CA 2.674 57.652 54.840 0.230 0.000 0.759 1094 L CB -1.458 40.755 42.059 0.256 0.000 0.892 1094 L HN 0.271 nan 8.230 nan 0.000 0.436 1095 T N -0.048 114.533 114.554 0.046 0.000 2.771 1095 T HA -0.385 3.975 4.350 0.017 0.000 0.262 1095 T C 1.907 176.578 174.700 -0.048 0.000 1.027 1095 T CA 2.149 64.245 62.100 -0.007 0.000 1.159 1095 T CB -0.482 68.395 68.868 0.015 0.000 0.844 1095 T HN 0.291 nan 8.240 nan 0.000 0.478 1096 R N 1.359 121.821 120.500 -0.064 0.000 2.113 1096 R HA -0.121 4.230 4.340 0.017 0.000 0.231 1096 R C 2.391 178.616 176.300 -0.126 0.000 1.129 1096 R CA 1.828 57.858 56.100 -0.115 0.000 0.915 1096 R CB -0.245 29.956 30.300 -0.166 0.000 0.837 1096 R HN 0.374 nan 8.270 nan 0.000 0.430 1097 K N -0.027 120.285 120.400 -0.148 0.000 2.034 1097 K HA -0.219 4.112 4.320 0.017 0.000 0.214 1097 K C 2.111 178.667 176.600 -0.073 0.000 1.051 1097 K CA 1.811 58.038 56.287 -0.101 0.000 0.931 1097 K CB -0.559 31.883 32.500 -0.096 0.000 0.715 1097 K HN 0.117 nan 8.250 nan 0.000 0.446 1098 L N 0.911 122.064 121.223 -0.118 0.000 2.013 1098 L HA -0.179 4.171 4.340 0.017 0.000 0.212 1098 L C 2.311 179.148 176.870 -0.056 0.000 1.073 1098 L CA 1.417 56.170 54.840 -0.144 0.000 0.753 1098 L CB -0.818 41.127 42.059 -0.190 0.000 0.890 1098 L HN -0.026 nan 8.230 nan 0.000 0.432 1099 V N -1.103 118.787 119.914 -0.041 0.000 3.444 1099 V HA -0.149 3.982 4.120 0.017 0.000 0.271 1099 V C 1.589 177.723 176.094 0.066 0.000 1.188 1099 V CA 1.090 63.391 62.300 0.002 0.000 1.168 1099 V CB -0.914 30.892 31.823 -0.028 0.000 0.810 1099 V HN 0.370 nan 8.190 nan 0.000 0.500 1100 D N 0.640 121.083 120.400 0.071 0.000 2.197 1100 D HA -0.021 4.629 4.640 0.017 0.000 0.212 1100 D C 1.866 178.336 176.300 0.282 0.000 0.963 1100 D CA 0.830 54.945 54.000 0.191 0.000 0.864 1100 D CB -0.123 40.805 40.800 0.213 0.000 1.009 1100 D HN 0.335 nan 8.370 nan 0.000 0.479 1101 V N 0.486 120.501 119.914 0.168 0.000 3.592 1101 V HA 0.029 4.160 4.120 0.017 0.000 0.272 1101 V C 0.875 177.023 176.094 0.090 0.000 1.228 1101 V CA 1.230 63.611 62.300 0.135 0.000 1.173 1101 V CB -0.679 31.198 31.823 0.090 0.000 0.873 1101 V HN 0.174 nan 8.190 nan 0.000 0.476 1102 T N -1.692 112.921 114.554 0.099 0.000 3.186 1102 T HA 0.096 4.457 4.350 0.017 0.000 0.292 1102 T C 1.545 176.255 174.700 0.015 0.000 0.915 1102 T CA 0.142 62.266 62.100 0.039 0.000 0.902 1102 T CB -0.071 68.814 68.868 0.028 0.000 1.192 1102 T HN 0.704 nan 8.240 nan 0.000 0.563 1103 H N 2.630 121.698 119.070 -0.005 0.000 2.363 1103 H HA 0.009 4.576 4.556 0.017 0.000 0.301 1103 H C 1.724 177.034 175.328 -0.030 0.000 1.074 1103 H CA 1.651 57.685 56.048 -0.024 0.000 1.354 1103 H CB -0.431 29.312 29.762 -0.033 0.000 1.397 1103 H HN 0.590 nan 8.280 nan 0.000 0.516 1104 E N 1.508 121.168 120.200 -0.901 0.000 2.501 1104 E HA -0.057 4.303 4.350 0.017 0.000 0.203 1104 E C 0.096 176.574 176.600 -0.204 0.000 1.072 1104 E CA 0.164 56.243 56.400 -0.535 0.000 0.885 1104 E CB -0.145 29.223 29.700 -0.553 0.000 0.813 1104 E HN 0.322 nan 8.360 nan 0.000 0.556 1105 I N 2.323 122.809 120.570 -0.141 0.000 2.325 1105 I HA 0.240 4.421 4.170 0.017 0.000 0.291 1105 I C -0.141 175.936 176.117 -0.067 0.000 1.019 1105 I CA -0.761 60.503 61.300 -0.061 0.000 1.302 1105 I CB 0.822 38.806 38.000 -0.025 0.000 1.401 1105 I HN -0.091 nan 8.210 nan 0.000 0.485 1106 V N 6.179 126.053 119.914 -0.068 0.000 3.120 1106 V HA 0.301 4.432 4.120 0.017 0.000 0.303 1106 V C -0.144 175.884 176.094 -0.110 0.000 1.238 1106 V CA -0.923 61.321 62.300 -0.093 0.000 1.008 1106 V CB 2.549 34.326 31.823 -0.077 0.000 1.064 1106 V HN 0.356 nan 8.190 nan 0.000 0.434 1107 V N 4.515 124.336 119.914 -0.154 0.000 2.446 1107 V HA 0.375 4.505 4.120 0.017 0.000 0.276 1107 V C 0.306 176.313 176.094 -0.145 0.000 1.030 1107 V CA 0.108 62.310 62.300 -0.163 0.000 1.033 1107 V CB 0.134 31.834 31.823 -0.205 0.000 0.993 1107 V HN 0.954 nan 8.190 nan 0.000 0.477 1108 R N 3.948 124.365 120.500 -0.137 0.000 2.549 1108 R HA 0.731 5.082 4.340 0.017 0.000 0.291 1108 R C -0.821 175.388 176.300 -0.152 0.000 1.164 1108 R CA -0.818 55.189 56.100 -0.154 0.000 0.973 1108 R CB 1.959 32.207 30.300 -0.087 0.000 1.210 1108 R HN 0.755 nan 8.270 nan 0.000 0.422 1109 E N 2.518 122.586 120.200 -0.221 0.000 1.513 1109 E HA 0.782 5.142 4.350 0.017 0.000 0.186 1109 E C -1.585 174.918 176.600 -0.161 0.000 1.981 1109 E CA -0.386 55.923 56.400 -0.152 0.000 1.180 1109 E CB 0.252 29.891 29.700 -0.102 0.000 1.421 1109 E HN 0.780 nan 8.360 nan 0.000 0.699 1110 A N -0.190 122.577 122.820 -0.089 0.000 2.483 1110 A HA 0.525 4.855 4.320 0.017 0.000 0.294 1110 A C -1.804 175.769 177.584 -0.019 0.000 1.077 1110 A CA -0.321 51.686 52.037 -0.049 0.000 0.633 1110 A CB 0.443 19.427 19.000 -0.026 0.000 1.318 1110 A HN 0.818 nan 8.150 nan 0.000 0.455 1111 D N 1.158 121.561 120.400 0.005 0.000 2.598 1111 D HA 0.307 4.958 4.640 0.017 0.000 0.231 1111 D C 0.975 177.281 176.300 0.009 0.000 1.127 1111 D CA 0.205 54.215 54.000 0.017 0.000 1.126 1111 D CB -1.280 39.539 40.800 0.032 0.000 1.124 1111 D HN 0.935 nan 8.370 nan 0.000 0.485 1112 C N -0.464 118.836 119.300 -0.001 0.000 2.674 1112 C HA 0.396 4.866 4.460 0.017 0.000 0.405 1112 C C 2.138 177.130 174.990 0.004 0.000 1.285 1112 C CA -0.145 58.872 59.018 -0.003 0.000 1.845 1112 C CB 0.020 27.753 27.740 -0.012 0.000 2.689 1112 C HN 0.571 nan 8.230 nan 0.000 0.643 1113 G N 0.545 109.348 108.800 0.005 0.000 2.430 1113 G HA2 0.027 3.998 3.960 0.017 0.000 0.216 1113 G HA3 0.027 3.998 3.960 0.017 0.000 0.216 1113 G C 0.951 175.856 174.900 0.008 0.000 1.146 1113 G CA 0.890 45.996 45.100 0.009 0.000 0.793 1113 G HN 1.196 nan 8.290 nan 0.000 0.537 1114 T N 1.913 116.468 114.554 0.002 0.000 2.476 1114 T HA 0.089 4.450 4.350 0.017 0.000 0.236 1114 T C 0.953 175.655 174.700 0.004 0.000 1.100 1114 T CA 0.910 63.010 62.100 -0.001 0.000 1.485 1114 T CB -0.332 68.531 68.868 -0.008 0.000 1.093 1114 T HN 0.093 nan 8.240 nan 0.000 0.495 1115 T N 5.519 120.077 114.554 0.007 0.000 3.244 1115 T HA 0.123 4.484 4.350 0.017 0.000 0.254 1115 T C 0.571 175.275 174.700 0.006 0.000 1.024 1115 T CA -0.685 61.433 62.100 0.030 0.000 0.920 1115 T CB -0.395 68.502 68.868 0.049 0.000 1.042 1115 T HN 0.720 nan 8.240 nan 0.000 0.572 1116 N N 2.915 121.582 118.700 -0.054 0.000 2.497 1116 N HA 0.169 4.920 4.740 0.017 0.000 0.268 1116 N C -0.399 175.040 175.510 -0.118 0.000 1.171 1116 N CA -0.256 52.691 53.050 -0.173 0.000 0.948 1116 N CB 0.704 39.119 38.487 -0.121 0.000 1.069 1116 N HN 0.423 nan 8.380 nan 0.000 0.460 1117 Y N 0.164 120.459 120.300 -0.008 0.000 2.772 1117 Y HA 0.762 5.323 4.550 0.018 0.000 0.324 1117 Y C -0.271 175.622 175.900 -0.011 0.000 1.169 1117 Y CA -1.743 56.348 58.100 -0.016 0.000 1.198 1117 Y CB 0.827 39.274 38.460 -0.022 0.000 1.402 1117 Y HN 0.448 nan 8.280 nan 0.000 0.577 1118 I N 0.423 121.227 120.570 0.389 0.000 2.647 1118 I HA 0.489 4.669 4.170 0.017 0.000 0.295 1118 I C -1.339 174.889 176.117 0.185 0.000 1.078 1118 I CA -0.736 60.699 61.300 0.225 0.000 1.048 1118 I CB 2.162 40.219 38.000 0.096 0.000 1.239 1118 I HN 0.700 nan 8.210 nan 0.000 0.421 1119 S N 6.025 121.811 115.700 0.144 0.000 2.466 1119 S HA 0.304 4.784 4.470 0.017 0.000 0.313 1119 S C -0.332 174.279 174.600 0.018 0.000 1.078 1119 S CA -0.475 57.756 58.200 0.051 0.000 1.115 1119 S CB 0.769 64.012 63.200 0.072 0.000 1.006 1119 S HN 0.395 nan 8.310 nan 0.000 0.487 1120 V N 6.556 126.460 119.914 -0.018 0.000 2.485 1120 V HA 0.150 4.280 4.120 0.017 0.000 0.287 1120 V C -2.101 173.971 176.094 -0.037 0.000 1.022 1120 V CA -1.333 60.950 62.300 -0.029 0.000 1.067 1120 V CB 0.266 32.058 31.823 -0.052 0.000 0.967 1120 V HN 0.546 nan 8.190 nan 0.000 0.479 1121 P HA 0.325 nan 4.420 nan 0.000 0.284 1121 P C -0.095 177.153 177.300 -0.085 0.000 1.253 1121 P CA -0.366 62.721 63.100 -0.022 0.000 0.800 1121 P CB 0.979 32.690 31.700 0.018 0.000 0.961 1122 L N 1.179 122.305 121.223 -0.162 0.000 2.731 1122 L HA 0.357 4.707 4.340 0.017 0.000 0.240 1122 L C 0.018 176.584 176.870 -0.506 0.000 1.120 1122 L CA 0.588 55.211 54.840 -0.362 0.000 0.913 1122 L CB -0.364 41.380 42.059 -0.525 0.000 1.213 1122 L HN 0.241 nan 8.230 nan 0.000 0.515 1123 F N 0.566 120.509 119.950 -0.012 0.000 2.508 1123 F HA 0.590 5.127 4.527 0.018 0.000 0.325 1123 F C 0.129 175.927 175.800 -0.003 0.000 1.090 1123 F CA -1.092 56.903 58.000 -0.008 0.000 0.945 1123 F CB 1.570 40.566 39.000 -0.007 0.000 1.156 1123 F HN -0.045 nan 8.300 nan 0.000 0.463 1124 Q N 3.281 123.202 119.800 0.201 0.000 2.321 1124 Q HA 0.545 4.896 4.340 0.017 0.000 0.270 1124 Q C -2.798 173.257 176.000 0.091 0.000 1.032 1124 Q CA -1.901 53.969 55.803 0.111 0.000 0.784 1124 Q CB 2.617 31.395 28.738 0.066 0.000 1.264 1124 Q HN 0.256 nan 8.270 nan 0.000 0.448 1125 P HA -0.127 nan 4.420 nan 0.000 0.202 1125 P C -0.324 176.997 177.300 0.035 0.000 1.189 1125 P CA 0.798 63.926 63.100 0.046 0.000 0.921 1125 P CB 0.169 31.895 31.700 0.044 0.000 0.756 1126 D N -0.588 119.833 120.400 0.035 0.000 2.393 1126 D HA 0.004 4.655 4.640 0.017 0.000 0.232 1126 D C 0.595 176.910 176.300 0.025 0.000 1.192 1126 D CA 0.219 54.236 54.000 0.028 0.000 0.882 1126 D CB 0.538 41.355 40.800 0.028 0.000 1.038 1126 D HN 0.248 nan 8.370 nan 0.000 0.499 1127 E N 2.210 122.423 120.200 0.021 0.000 2.378 1127 E HA 0.038 4.398 4.350 0.017 0.000 0.200 1127 E C -0.259 176.348 176.600 0.012 0.000 0.882 1127 E CA -0.013 56.397 56.400 0.016 0.000 1.061 1127 E CB 0.741 30.451 29.700 0.016 0.000 1.049 1127 E HN 0.142 nan 8.360 nan 0.000 0.494 1128 V N 2.792 122.712 119.914 0.011 0.000 2.204 1128 V HA 0.135 4.266 4.120 0.017 0.000 0.264 1128 V C 0.588 176.687 176.094 0.009 0.000 1.106 1128 V CA 0.499 62.803 62.300 0.008 0.000 0.947 1128 V CB -0.426 31.400 31.823 0.005 0.000 1.164 1128 V HN 0.587 nan 8.190 nan 0.000 0.461 1129 T N 2.456 117.017 114.554 0.011 0.000 13.631 1129 T HA -0.361 4.000 4.350 0.017 0.000 0.419 1129 T C 0.732 175.440 174.700 0.013 0.000 1.441 1129 T CA 2.368 64.475 62.100 0.012 0.000 2.348 1129 T CB -0.275 68.599 68.868 0.010 0.000 2.787 1129 T HN 0.637 nan 8.240 nan 0.000 0.502 1130 R N 1.495 122.001 120.500 0.008 0.000 2.562 1130 R HA 0.643 4.993 4.340 0.017 0.000 0.298 1130 R C -1.018 175.280 176.300 -0.002 0.000 0.961 1130 R CA 0.339 56.442 56.100 0.005 0.000 0.881 1130 R CB 1.542 31.845 30.300 0.004 0.000 1.159 1130 R HN 1.151 nan 8.270 nan 0.000 0.450 1131 S N 3.642 119.338 115.700 -0.006 0.000 3.225 1131 S HA 0.095 4.575 4.470 0.017 0.000 0.128 1131 S C -0.693 173.895 174.600 -0.020 0.000 0.806 1131 S CA -0.838 57.353 58.200 -0.015 0.000 0.814 1131 S CB -1.184 62.012 63.200 -0.007 0.000 1.476 1131 S HN 0.574 nan 8.310 nan 0.000 0.608 1132 L N 2.268 123.463 121.223 -0.048 0.000 2.822 1132 L HA -0.033 4.318 4.340 0.017 0.000 0.288 1132 L C 0.864 177.706 176.870 -0.047 0.000 1.182 1132 L CA 0.936 55.730 54.840 -0.076 0.000 0.936 1132 L CB 0.007 41.938 42.059 -0.213 0.000 1.269 1132 L HN 0.712 nan 8.230 nan 0.000 0.476 1133 R N 4.566 125.117 120.500 0.084 0.000 2.807 1133 R HA 0.468 4.818 4.340 0.017 0.000 0.276 1133 R C -1.067 175.479 176.300 0.410 0.000 0.979 1133 R CA -1.007 55.190 56.100 0.161 0.000 0.928 1133 R CB 1.421 31.777 30.300 0.093 0.000 1.191 1133 R HN 0.469 nan 8.270 nan 0.000 0.471 1134 L N 4.287 125.751 121.223 0.401 0.000 2.360 1134 L HA 0.304 4.655 4.340 0.017 0.000 0.276 1134 L C -0.206 176.686 176.870 0.038 0.000 1.121 1134 L CA 0.096 55.085 54.840 0.248 0.000 0.845 1134 L CB 0.598 42.776 42.059 0.199 0.000 1.143 1134 L HN 0.729 nan 8.230 nan 0.000 0.452 1135 R N 3.736 124.189 120.500 -0.078 0.000 2.640 1135 R HA 0.013 4.364 4.340 0.017 0.000 0.270 1135 R C 0.276 176.538 176.300 -0.064 0.000 1.024 1135 R CA 0.215 56.276 56.100 -0.065 0.000 1.085 1135 R CB 0.476 30.712 30.300 -0.106 0.000 0.963 1135 R HN 0.573 nan 8.270 nan 0.000 0.426 1136 K N 2.103 122.479 120.400 -0.040 0.000 2.443 1136 K HA -0.193 4.137 4.320 0.017 0.000 0.268 1136 K C 1.012 177.581 176.600 -0.052 0.000 0.971 1136 K CA 0.551 56.816 56.287 -0.037 0.000 0.902 1136 K CB 0.256 32.740 32.500 -0.028 0.000 0.950 1136 K HN 0.409 nan 8.250 nan 0.000 0.525 1137 R N 0.459 120.932 120.500 -0.045 0.000 2.280 1137 R HA -0.048 4.303 4.340 0.017 0.000 0.207 1137 R C 1.509 177.784 176.300 -0.042 0.000 1.043 1137 R CA 1.210 57.283 56.100 -0.045 0.000 1.006 1137 R CB -0.277 29.995 30.300 -0.045 0.000 0.885 1137 R HN 0.637 nan 8.270 nan 0.000 0.467 1138 A N 0.774 123.570 122.820 -0.041 0.000 1.941 1138 A HA 0.027 4.357 4.320 0.017 0.000 0.214 1138 A C 1.160 178.711 177.584 -0.056 0.000 1.368 1138 A CA 0.493 52.506 52.037 -0.040 0.000 0.651 1138 A CB -0.291 18.696 19.000 -0.022 0.000 1.064 1138 A HN 0.077 nan 8.150 nan 0.000 0.492 1139 D N 0.259 120.629 120.400 -0.050 0.000 2.397 1139 D HA -0.127 4.524 4.640 0.017 0.000 0.219 1139 D C 1.461 177.707 176.300 -0.091 0.000 0.975 1139 D CA 0.772 54.735 54.000 -0.062 0.000 0.940 1139 D CB -0.144 40.629 40.800 -0.045 0.000 0.884 1139 D HN 0.505 nan 8.370 nan 0.000 0.505 1140 I N 0.241 120.752 120.570 -0.097 0.000 2.594 1140 I HA -0.144 4.036 4.170 0.017 0.000 0.237 1140 I C 2.128 178.164 176.117 -0.134 0.000 1.071 1140 I CA 0.171 61.400 61.300 -0.118 0.000 1.427 1140 I CB 0.060 37.990 38.000 -0.118 0.000 1.218 1140 I HN -0.135 nan 8.210 nan 0.000 0.444 1141 E N 1.221 121.351 120.200 -0.116 0.000 2.170 1141 E HA -0.381 3.980 4.350 0.017 0.000 0.229 1141 E C 1.985 178.489 176.600 -0.161 0.000 1.074 1141 E CA 1.995 58.323 56.400 -0.120 0.000 0.930 1141 E CB -0.494 29.145 29.700 -0.102 0.000 0.806 1141 E HN 0.572 nan 8.360 nan 0.000 0.478 1142 A N 0.348 123.046 122.820 -0.204 0.000 2.186 1142 A HA -0.072 4.258 4.320 0.017 0.000 0.219 1142 A C 2.105 179.274 177.584 -0.691 0.000 1.159 1142 A CA 1.589 53.383 52.037 -0.405 0.000 0.680 1142 A CB -0.404 18.475 19.000 -0.201 0.000 0.787 1142 A HN 0.380 nan 8.150 nan 0.000 0.467 1143 G N -2.050 106.511 108.800 -0.399 0.000 3.062 1143 G HA2 0.392 4.363 3.960 0.017 0.000 0.228 1143 G HA3 0.392 4.363 3.960 0.017 0.000 0.228 1143 G C 0.851 175.658 174.900 -0.155 0.000 1.094 1143 G CA 0.270 45.210 45.100 -0.268 0.000 0.782 1143 G HN 0.368 nan 8.290 nan 0.000 0.541 1144 L N -0.617 120.516 121.223 -0.149 0.000 3.360 1144 L HA 0.336 4.686 4.340 0.017 0.000 0.303 1144 L C 0.115 177.014 176.870 0.048 0.000 1.218 1144 L CA -0.477 54.334 54.840 -0.049 0.000 1.059 1144 L CB 0.593 42.602 42.059 -0.082 0.000 1.468 1144 L HN 0.248 nan 8.230 nan 0.000 0.614 1145 Y N 2.214 122.452 120.300 -0.104 0.000 2.730 1145 Y HA 0.239 4.800 4.550 0.018 0.000 0.354 1145 Y C 1.270 177.188 175.900 0.031 0.000 1.139 1145 Y CA 0.443 58.516 58.100 -0.046 0.000 1.516 1145 Y CB 0.272 38.730 38.460 -0.002 0.000 1.204 1145 Y HN 0.310 nan 8.280 nan 0.000 0.520 1146 G N 4.977 113.810 108.800 0.055 0.000 2.132 1146 G HA2 -0.239 3.731 3.960 0.017 0.000 0.234 1146 G HA3 -0.239 3.731 3.960 0.017 0.000 0.234 1146 G C 0.021 174.817 174.900 -0.174 0.000 0.989 1146 G CA -0.427 44.479 45.100 -0.323 0.000 0.676 1146 G HN 0.587 nan 8.290 nan 0.000 0.522 1147 R N -0.542 119.866 120.500 -0.153 0.000 2.543 1147 R HA 0.553 4.903 4.340 0.017 0.000 0.268 1147 R C 0.133 176.224 176.300 -0.348 0.000 1.067 1147 R CA -0.533 55.432 56.100 -0.226 0.000 1.142 1147 R CB 1.347 31.561 30.300 -0.144 0.000 1.110 1147 R HN 0.146 nan 8.270 nan 0.000 0.549 1148 V N 3.488 123.123 119.914 -0.466 0.000 2.364 1148 V HA 0.192 4.322 4.120 0.017 0.000 0.272 1148 V C 0.882 176.828 176.094 -0.246 0.000 1.036 1148 V CA -0.619 61.377 62.300 -0.507 0.000 0.880 1148 V CB 0.982 32.412 31.823 -0.656 0.000 0.991 1148 V HN 0.540 nan 8.190 nan 0.000 0.460 1149 L N 3.530 124.651 121.223 -0.169 0.000 2.529 1149 L HA 0.054 4.404 4.340 0.017 0.000 0.287 1149 L C 1.458 178.266 176.870 -0.104 0.000 1.241 1149 L CA 0.713 55.478 54.840 -0.126 0.000 0.857 1149 L CB 0.622 42.624 42.059 -0.095 0.000 1.113 1149 L HN 0.829 nan 8.230 nan 0.000 0.504 1150 A N 3.740 126.489 122.820 -0.118 0.000 2.252 1150 A HA 0.277 4.608 4.320 0.017 0.000 0.213 1150 A C 0.567 178.117 177.584 -0.055 0.000 1.188 1150 A CA 0.164 52.164 52.037 -0.061 0.000 0.863 1150 A CB 0.132 19.124 19.000 -0.013 0.000 0.893 1150 A HN 0.631 nan 8.150 nan 0.000 0.495 1151 R N -0.013 120.421 120.500 -0.110 0.000 2.734 1151 R HA 0.284 4.635 4.340 0.017 0.000 0.271 1151 R C -0.721 175.537 176.300 -0.071 0.000 1.021 1151 R CA -0.500 55.554 56.100 -0.077 0.000 0.893 1151 R CB 0.710 30.939 30.300 -0.118 0.000 1.244 1151 R HN 0.560 nan 8.270 nan 0.000 0.464 1152 E N 0.396 120.571 120.200 -0.042 0.000 2.435 1152 E HA 0.312 4.672 4.350 0.017 0.000 0.254 1152 E C -0.821 175.751 176.600 -0.047 0.000 1.289 1152 E CA -0.456 55.924 56.400 -0.034 0.000 0.983 1152 E CB 0.683 30.372 29.700 -0.017 0.000 1.010 1152 E HN 0.140 nan 8.360 nan 0.000 0.509 1153 V N 1.419 121.311 119.914 -0.037 0.000 3.063 1153 V HA 0.087 4.218 4.120 0.017 0.000 0.249 1153 V C -0.959 175.120 176.094 -0.025 0.000 0.908 1153 V CA -0.547 61.730 62.300 -0.038 0.000 0.966 1153 V CB 1.063 32.855 31.823 -0.052 0.000 1.015 1153 V HN 0.694 nan 8.190 nan 0.000 0.512 1154 E N 1.796 121.985 120.200 -0.018 0.000 2.324 1154 E HA 0.430 4.791 4.350 0.017 0.000 0.271 1154 E C -0.069 176.525 176.600 -0.011 0.000 1.028 1154 E CA 0.009 56.403 56.400 -0.012 0.000 0.890 1154 E CB 1.888 31.583 29.700 -0.008 0.000 1.004 1154 E HN 0.515 nan 8.360 nan 0.000 0.431 1155 V N 3.567 123.475 119.914 -0.010 0.000 4.535 1155 V HA 0.061 4.192 4.120 0.017 0.000 0.173 1155 V C 0.918 177.009 176.094 -0.004 0.000 1.036 1155 V CA -0.368 61.927 62.300 -0.008 0.000 1.412 1155 V CB -0.089 31.727 31.823 -0.012 0.000 1.991 1155 V HN 0.542 nan 8.190 nan 0.000 0.469 1156 L N 1.336 122.556 121.223 -0.004 0.000 2.978 1156 L HA 0.618 4.969 4.340 0.017 0.000 0.239 1156 L C 1.142 178.011 176.870 -0.002 0.000 1.293 1156 L CA 0.761 55.600 54.840 -0.003 0.000 1.085 1156 L CB 0.173 42.230 42.059 -0.003 0.000 1.432 1156 L HN 0.861 nan 8.230 nan 0.000 0.512 1157 G N -0.561 108.237 108.800 -0.002 0.000 2.231 1157 G HA2 -0.205 3.765 3.960 0.017 0.000 0.206 1157 G HA3 -0.205 3.765 3.960 0.017 0.000 0.206 1157 G C 0.029 174.929 174.900 -0.001 0.000 0.996 1157 G CA -0.265 44.834 45.100 -0.001 0.000 0.645 1157 G HN 0.084 nan 8.290 nan 0.000 0.498 1158 V N 1.456 121.369 119.914 -0.002 0.000 2.513 1158 V HA 0.649 4.779 4.120 0.017 0.000 0.299 1158 V C 0.372 176.464 176.094 -0.003 0.000 1.035 1158 V CA -0.906 61.394 62.300 -0.001 0.000 0.889 1158 V CB 1.673 33.495 31.823 -0.001 0.000 0.988 1158 V HN 0.306 nan 8.190 nan 0.000 0.440 1159 R N 4.321 124.820 120.500 -0.001 0.000 2.229 1159 R HA 0.550 4.900 4.340 0.017 0.000 0.332 1159 R C -1.063 175.236 176.300 -0.003 0.000 0.989 1159 R CA -0.495 55.603 56.100 -0.003 0.000 0.842 1159 R CB 1.023 31.323 30.300 -0.001 0.000 1.119 1159 R HN 0.602 nan 8.270 nan 0.000 0.456 1160 L N 5.058 126.276 121.223 -0.009 0.000 2.282 1160 L HA 0.172 4.523 4.340 0.017 0.000 0.287 1160 L C 0.874 177.739 176.870 -0.008 0.000 1.075 1160 L CA -0.644 54.190 54.840 -0.009 0.000 0.839 1160 L CB 0.265 42.312 42.059 -0.021 0.000 1.219 1160 L HN 0.534 nan 8.230 nan 0.000 0.434 1161 E N 4.045 124.247 120.200 0.004 0.000 2.392 1161 E HA 0.019 4.380 4.350 0.017 0.000 0.264 1161 E C -0.138 176.465 176.600 0.005 0.000 1.024 1161 E CA -0.464 55.940 56.400 0.006 0.000 0.903 1161 E CB 1.241 30.951 29.700 0.017 0.000 0.963 1161 E HN 0.571 nan 8.360 nan 0.000 0.432 1162 E N 1.774 121.974 120.200 -0.001 0.000 2.467 1162 E HA 0.004 4.365 4.350 0.017 0.000 0.264 1162 E C 0.626 177.234 176.600 0.014 0.000 1.020 1162 E CA 1.117 57.513 56.400 -0.006 0.000 0.945 1162 E CB 0.061 29.759 29.700 -0.004 0.000 0.942 1162 E HN 0.829 nan 8.360 nan 0.000 0.449 1163 G N 3.614 112.417 108.800 0.005 0.000 2.159 1163 G HA2 -0.320 3.650 3.960 0.017 0.000 0.256 1163 G HA3 -0.320 3.650 3.960 0.017 0.000 0.256 1163 G C 0.395 175.359 174.900 0.106 0.000 0.977 1163 G CA 0.536 45.662 45.100 0.043 0.000 0.652 1163 G HN 0.667 nan 8.290 nan 0.000 0.531 1164 R N -0.583 119.956 120.500 0.065 0.000 2.560 1164 R HA 0.577 4.928 4.340 0.017 0.000 0.270 1164 R C -0.656 175.720 176.300 0.127 0.000 1.074 1164 R CA -0.590 55.585 56.100 0.126 0.000 1.140 1164 R CB 0.339 30.672 30.300 0.053 0.000 1.073 1164 R HN 0.080 nan 8.270 nan 0.000 0.527 1165 Y N 2.912 123.209 120.300 -0.004 0.000 2.328 1165 Y HA 0.240 4.800 4.550 0.017 0.000 0.337 1165 Y C 0.019 175.841 175.900 -0.130 0.000 1.008 1165 Y CA -0.727 57.349 58.100 -0.040 0.000 1.129 1165 Y CB 1.600 40.099 38.460 0.065 0.000 1.185 1165 Y HN 0.351 nan 8.280 nan 0.000 0.476 1166 L N 4.569 125.734 121.223 -0.098 0.000 2.462 1166 L HA 0.153 4.503 4.340 0.017 0.000 0.283 1166 L C 0.842 177.606 176.870 -0.177 0.000 1.166 1166 L CA -0.285 54.485 54.840 -0.116 0.000 0.964 1166 L CB -0.568 41.428 42.059 -0.105 0.000 1.294 1166 L HN 0.663 nan 8.230 nan 0.000 0.449 1167 S N 2.595 118.199 115.700 -0.161 0.000 2.587 1167 S HA -0.005 4.476 4.470 0.017 0.000 0.260 1167 S C 1.078 175.569 174.600 -0.182 0.000 1.353 1167 S CA -0.415 57.694 58.200 -0.152 0.000 0.995 1167 S CB 0.933 64.103 63.200 -0.050 0.000 0.912 1167 S HN 0.627 nan 8.310 nan 0.000 0.568 1168 M N 1.017 120.447 119.600 -0.284 0.000 2.159 1168 M HA -0.014 4.476 4.480 0.017 0.000 0.263 1168 M C 1.498 177.388 176.300 -0.684 0.000 1.063 1168 M CA 2.127 57.059 55.300 -0.613 0.000 1.110 1168 M CB -1.206 30.882 32.600 -0.854 0.000 1.374 1168 M HN 0.924 nan 8.290 nan 0.000 0.411 1169 D N -0.344 119.819 120.400 -0.394 0.000 2.219 1169 D HA -0.152 4.499 4.640 0.017 0.000 0.205 1169 D C 1.304 177.541 176.300 -0.105 0.000 0.970 1169 D CA 1.160 55.048 54.000 -0.186 0.000 0.851 1169 D CB 0.017 40.805 40.800 -0.020 0.000 0.943 1169 D HN 0.429 nan 8.370 nan 0.000 0.488 1170 D N -0.649 119.674 120.400 -0.128 0.000 2.348 1170 D HA -0.065 4.585 4.640 0.017 0.000 0.216 1170 D C 1.600 177.839 176.300 -0.101 0.000 0.970 1170 D CA 0.404 54.353 54.000 -0.084 0.000 0.889 1170 D CB 0.655 41.411 40.800 -0.074 0.000 0.912 1170 D HN 0.201 nan 8.370 nan 0.000 0.524 1171 V N 0.248 120.059 119.914 -0.173 0.000 3.307 1171 V HA -0.063 4.068 4.120 0.017 0.000 0.253 1171 V C 1.801 177.851 176.094 -0.074 0.000 1.149 1171 V CA 0.604 62.810 62.300 -0.156 0.000 1.112 1171 V CB -0.148 31.535 31.823 -0.233 0.000 0.777 1171 V HN 0.139 nan 8.190 nan 0.000 0.464 1172 H N -0.410 118.590 119.070 -0.117 0.000 2.502 1172 H HA 0.081 4.648 4.556 0.018 0.000 0.283 1172 H C 1.939 177.217 175.328 -0.083 0.000 1.015 1172 H CA 0.993 56.976 56.048 -0.107 0.000 1.298 1172 H CB 0.154 29.850 29.762 -0.110 0.000 1.411 1172 H HN 0.326 nan 8.280 nan 0.000 0.556 1173 L N 0.268 121.517 121.223 0.044 0.000 2.007 1173 L HA -0.062 4.288 4.340 0.017 0.000 0.205 1173 L C 2.106 178.967 176.870 -0.016 0.000 1.073 1173 L CA 1.131 55.974 54.840 0.006 0.000 0.744 1173 L CB -0.615 41.439 42.059 -0.008 0.000 0.898 1173 L HN 0.108 nan 8.230 nan 0.000 0.435 1174 L N -0.570 120.632 121.223 -0.035 0.000 2.263 1174 L HA -0.254 4.096 4.340 0.017 0.000 0.216 1174 L C 2.251 179.078 176.870 -0.072 0.000 1.111 1174 L CA 1.238 56.044 54.840 -0.056 0.000 0.773 1174 L CB -0.520 41.493 42.059 -0.076 0.000 0.906 1174 L HN 0.391 nan 8.230 nan 0.000 0.439 1175 I N -0.900 119.635 120.570 -0.057 0.000 2.494 1175 I HA -0.177 4.004 4.170 0.017 0.000 0.250 1175 I C 2.556 178.642 176.117 -0.053 0.000 1.112 1175 I CA 0.654 61.909 61.300 -0.076 0.000 1.438 1175 I CB -0.228 37.738 38.000 -0.057 0.000 1.111 1175 I HN 0.127 nan 8.210 nan 0.000 0.431 1176 K N 1.782 122.162 120.400 -0.033 0.000 2.097 1176 K HA -0.126 4.205 4.320 0.017 0.000 0.205 1176 K C 2.166 178.759 176.600 -0.012 0.000 1.050 1176 K CA 1.375 57.646 56.287 -0.026 0.000 0.938 1176 K CB 0.002 32.486 32.500 -0.027 0.000 0.718 1176 K HN 0.287 nan 8.250 nan 0.000 0.442 1177 A N 1.022 123.834 122.820 -0.013 0.000 1.872 1177 A HA -0.004 4.327 4.320 0.017 0.000 0.214 1177 A C 2.312 179.907 177.584 0.017 0.000 1.187 1177 A CA 1.511 53.547 52.037 -0.001 0.000 0.614 1177 A CB -0.745 18.251 19.000 -0.008 0.000 0.826 1177 A HN 0.426 nan 8.150 nan 0.000 0.442 1178 A N -0.095 122.723 122.820 -0.003 0.000 2.024 1178 A HA -0.175 4.155 4.320 0.017 0.000 0.220 1178 A C 1.881 179.544 177.584 0.133 0.000 1.164 1178 A CA 1.660 53.718 52.037 0.035 0.000 0.643 1178 A CB -0.473 18.428 19.000 -0.165 0.000 0.806 1178 A HN 0.666 nan 8.150 nan 0.000 0.451 1179 E N -0.262 119.975 120.200 0.062 0.000 2.072 1179 E HA -0.033 4.327 4.350 0.017 0.000 0.190 1179 E C 2.401 179.044 176.600 0.070 0.000 0.982 1179 E CA 0.715 57.163 56.400 0.080 0.000 0.803 1179 E CB -0.288 29.429 29.700 0.029 0.000 0.755 1179 E HN 0.613 nan 8.360 nan 0.000 0.453 1180 A N 1.078 123.925 122.820 0.045 0.000 1.851 1180 A HA -0.027 4.303 4.320 0.017 0.000 0.216 1180 A C 1.600 179.210 177.584 0.042 0.000 1.195 1180 A CA 1.781 53.837 52.037 0.032 0.000 0.622 1180 A CB -0.627 18.384 19.000 0.019 0.000 0.831 1180 A HN 0.382 nan 8.150 nan 0.000 0.444 1181 G N -1.722 107.114 108.800 0.061 0.000 2.720 1181 G HA2 0.172 4.142 3.960 0.017 0.000 0.207 1181 G HA3 0.172 4.142 3.960 0.017 0.000 0.207 1181 G C -0.179 174.748 174.900 0.044 0.000 1.068 1181 G CA 0.611 45.747 45.100 0.061 0.000 1.077 1181 G HN 0.450 nan 8.290 nan 0.000 0.597 1182 E N -0.356 119.878 120.200 0.056 0.000 2.717 1182 E HA 0.418 4.778 4.350 0.017 0.000 0.204 1182 E C 1.103 177.728 176.600 0.042 0.000 0.911 1182 E CA 0.352 56.773 56.400 0.035 0.000 1.370 1182 E CB 0.425 30.137 29.700 0.020 0.000 1.315 1182 E HN 0.595 nan 8.360 nan 0.000 0.643 1183 I N 0.769 121.373 120.570 0.057 0.000 2.863 1183 I HA 0.378 4.559 4.170 0.017 0.000 0.311 1183 I C 0.567 176.759 176.117 0.125 0.000 1.026 1183 I CA -0.565 60.768 61.300 0.054 0.000 1.077 1183 I CB 1.887 39.893 38.000 0.011 0.000 1.262 1183 I HN 0.042 nan 8.210 nan 0.000 0.461 1184 Q N 0.872 120.740 119.800 0.113 0.000 2.427 1184 Q HA 0.260 4.611 4.340 0.017 0.000 0.249 1184 Q C -0.375 175.688 176.000 0.106 0.000 0.783 1184 Q CA 0.168 56.100 55.803 0.215 0.000 0.978 1184 Q CB 1.657 30.520 28.738 0.209 0.000 1.273 1184 Q HN 0.641 nan 8.270 nan 0.000 0.524 1185 E N 0.494 120.719 120.200 0.040 0.000 2.299 1185 E HA 0.534 4.894 4.350 0.017 0.000 0.265 1185 E C -1.306 175.267 176.600 -0.045 0.000 0.911 1185 E CA -0.680 55.721 56.400 0.001 0.000 0.789 1185 E CB 3.189 32.897 29.700 0.013 0.000 1.246 1185 E HN -0.188 nan 8.360 nan 0.000 0.427 1186 V N 2.944 122.815 119.914 -0.071 0.000 2.483 1186 V HA 0.310 4.440 4.120 0.017 0.000 0.297 1186 V C -2.345 173.659 176.094 -0.149 0.000 1.027 1186 V CA -1.837 60.400 62.300 -0.105 0.000 0.855 1186 V CB 1.776 33.538 31.823 -0.100 0.000 0.995 1186 V HN 0.553 nan 8.190 nan 0.000 0.424 1187 P HA 0.316 nan 4.420 nan 0.000 0.281 1187 P C -0.795 176.323 177.300 -0.304 0.000 1.286 1187 P CA 0.265 63.099 63.100 -0.443 0.000 0.772 1187 P CB 2.058 33.394 31.700 -0.606 0.000 0.862 1188 V N 4.724 124.517 119.914 -0.202 0.000 3.206 1188 V HA 0.460 4.590 4.120 0.017 0.000 0.305 1188 V C -0.732 175.341 176.094 -0.036 0.000 1.257 1188 V CA -1.105 61.124 62.300 -0.118 0.000 1.057 1188 V CB 2.780 34.536 31.823 -0.113 0.000 1.075 1188 V HN 0.346 nan 8.190 nan 0.000 0.443 1189 R N 2.117 122.579 120.500 -0.063 0.000 2.441 1189 R HA 0.712 5.062 4.340 0.017 0.000 0.284 1189 R C -0.256 176.005 176.300 -0.065 0.000 1.070 1189 R CA 0.136 56.209 56.100 -0.044 0.000 1.047 1189 R CB 1.167 31.415 30.300 -0.086 0.000 1.016 1189 R HN 0.886 nan 8.270 nan 0.000 0.477 1190 S N 1.701 117.378 115.700 -0.039 0.000 2.588 1190 S HA 0.430 4.911 4.470 0.017 0.000 0.269 1190 S C -2.355 172.223 174.600 -0.038 0.000 1.157 1190 S CA -1.217 56.947 58.200 -0.061 0.000 0.824 1190 S CB 1.913 65.091 63.200 -0.037 0.000 1.126 1190 S HN 0.204 nan 8.310 nan 0.000 0.464 1191 P HA 0.135 nan 4.420 nan 0.000 0.221 1191 P C 1.268 178.569 177.300 0.002 0.000 1.150 1191 P CA 0.645 63.742 63.100 -0.005 0.000 0.800 1191 P CB 0.020 31.722 31.700 0.004 0.000 0.787 1192 L N -1.053 120.170 121.223 0.001 0.000 2.549 1192 L HA -0.041 4.309 4.340 0.017 0.000 0.230 1192 L C 0.498 177.372 176.870 0.006 0.000 1.162 1192 L CA 1.182 56.029 54.840 0.012 0.000 0.834 1192 L CB -0.878 41.194 42.059 0.022 0.000 0.947 1192 L HN 0.138 nan 8.230 nan 0.000 0.452 1193 T N -4.205 110.349 114.554 -0.000 0.000 3.446 1193 T HA 0.294 4.655 4.350 0.017 0.000 0.289 1193 T C -0.751 173.943 174.700 -0.010 0.000 1.203 1193 T CA -0.738 61.359 62.100 -0.005 0.000 1.645 1193 T CB 0.073 68.939 68.868 -0.002 0.000 0.841 1193 T HN 0.008 nan 8.240 nan 0.000 0.617 1194 C N 2.006 121.295 119.300 -0.019 0.000 2.667 1194 C HA 0.605 5.076 4.460 0.017 0.000 0.323 1194 C C 1.599 176.566 174.990 -0.037 0.000 1.214 1194 C CA -0.403 58.602 59.018 -0.022 0.000 1.721 1194 C CB 2.025 29.754 27.740 -0.018 0.000 2.275 1194 C HN 1.049 nan 8.230 nan 0.000 0.491 1195 Q N 1.207 120.986 119.800 -0.035 0.000 1.961 1195 Q HA 0.008 4.358 4.340 0.017 0.000 0.197 1195 Q C 0.492 176.451 176.000 -0.067 0.000 0.977 1195 Q CA 1.268 57.045 55.803 -0.043 0.000 0.830 1195 Q CB -0.447 28.274 28.738 -0.028 0.000 0.896 1195 Q HN 0.895 nan 8.270 nan 0.000 0.437 1196 T N 2.220 116.738 114.554 -0.059 0.000 2.772 1196 T HA -0.168 4.192 4.350 0.017 0.000 0.268 1196 T C 0.625 175.255 174.700 -0.118 0.000 1.025 1196 T CA 0.333 62.390 62.100 -0.072 0.000 1.139 1196 T CB 0.478 69.314 68.868 -0.054 0.000 1.053 1196 T HN 0.286 nan 8.240 nan 0.000 0.483 1197 R N 2.305 122.711 120.500 -0.157 0.000 1.966 1197 R HA 0.057 4.407 4.340 0.017 0.000 0.170 1197 R C 0.482 176.600 176.300 -0.303 0.000 1.036 1197 R CA 1.139 57.054 56.100 -0.308 0.000 1.316 1197 R CB -0.968 29.087 30.300 -0.408 0.000 0.696 1197 R HN 0.769 nan 8.270 nan 0.000 0.572 1198 Y N 0.715 120.958 120.300 -0.095 0.000 2.937 1198 Y HA 0.317 4.878 4.550 0.017 0.000 0.364 1198 Y C 0.645 176.487 175.900 -0.096 0.000 1.164 1198 Y CA 0.451 58.487 58.100 -0.106 0.000 2.025 1198 Y CB -0.306 38.087 38.460 -0.113 0.000 2.155 1198 Y HN 0.512 nan 8.280 nan 0.000 0.409 1199 G N -1.036 107.769 108.800 0.007 0.000 2.320 1199 G HA2 0.453 4.424 3.960 0.017 0.000 0.296 1199 G HA3 0.453 4.424 3.960 0.017 0.000 0.296 1199 G C -1.924 172.962 174.900 -0.024 0.000 1.306 1199 G CA -0.770 44.322 45.100 -0.013 0.000 0.836 1199 G HN 0.035 nan 8.290 nan 0.000 0.517 1200 V N -1.121 118.780 119.914 -0.021 0.000 3.160 1200 V HA 0.703 4.834 4.120 0.017 0.000 0.310 1200 V C 0.435 176.521 176.094 -0.014 0.000 1.181 1200 V CA -0.482 61.821 62.300 0.005 0.000 1.047 1200 V CB 1.598 33.465 31.823 0.073 0.000 1.068 1200 V HN 1.487 nan 8.190 nan 0.000 0.441 1201 C N -0.293 119.012 119.300 0.008 0.000 2.423 1201 C HA 0.576 5.046 4.460 0.017 0.000 0.378 1201 C C 1.380 176.390 174.990 0.034 0.000 1.244 1201 C CA -0.543 58.470 59.018 -0.007 0.000 1.978 1201 C CB 0.969 28.703 27.740 -0.009 0.000 2.252 1201 C HN 0.966 nan 8.230 nan 0.000 0.526 1202 Q N 0.515 120.327 119.800 0.020 0.000 1.857 1202 Q HA -0.162 4.188 4.340 0.017 0.000 0.237 1202 Q C 2.108 178.194 176.000 0.143 0.000 1.004 1202 Q CA 1.729 57.582 55.803 0.083 0.000 0.881 1202 Q CB -0.200 28.579 28.738 0.070 0.000 0.946 1202 Q HN 0.626 nan 8.270 nan 0.000 0.421 1203 K N 0.040 120.522 120.400 0.136 0.000 2.117 1203 K HA -0.254 4.077 4.320 0.017 0.000 0.215 1203 K C 2.060 178.646 176.600 -0.024 0.000 1.053 1203 K CA 1.504 57.834 56.287 0.073 0.000 0.935 1203 K CB -1.068 31.464 32.500 0.055 0.000 0.719 1203 K HN 0.383 nan 8.250 nan 0.000 0.460 1204 C N -0.258 119.049 119.300 0.012 0.000 2.456 1204 C HA -0.057 4.414 4.460 0.017 0.000 0.279 1204 C C 2.497 177.492 174.990 0.008 0.000 1.427 1204 C CA -0.194 58.821 59.018 -0.005 0.000 1.778 1204 C CB -0.952 26.794 27.740 0.009 0.000 1.842 1204 C HN 0.441 nan 8.230 nan 0.000 0.531 1205 Y N 0.932 121.194 120.300 -0.064 0.000 2.186 1205 Y HA 0.454 5.014 4.550 0.017 0.000 0.286 1205 Y C 1.452 177.286 175.900 -0.110 0.000 1.109 1205 Y CA 1.964 60.015 58.100 -0.081 0.000 1.099 1205 Y CB -0.309 38.115 38.460 -0.060 0.000 1.030 1205 Y HN 0.280 nan 8.280 nan 0.000 0.495 1206 G N -1.901 106.982 108.800 0.138 0.000 2.491 1206 G HA2 -0.062 3.908 3.960 0.017 0.000 0.183 1206 G HA3 -0.062 3.908 3.960 0.017 0.000 0.183 1206 G C -1.044 174.066 174.900 0.350 0.000 1.221 1206 G CA -0.160 44.955 45.100 0.025 0.000 0.996 1206 G HN 0.309 nan 8.290 nan 0.000 0.474 1207 Y N 0.261 120.592 120.300 0.052 0.000 2.955 1207 Y HA 0.450 5.010 4.550 0.017 0.000 0.238 1207 Y C 0.840 176.748 175.900 0.013 0.000 0.940 1207 Y CA 0.636 58.791 58.100 0.092 0.000 1.389 1207 Y CB 0.299 38.737 38.460 -0.036 0.000 1.100 1207 Y HN 0.496 nan 8.280 nan 0.000 0.558 1208 D N 1.644 122.048 120.400 0.007 0.000 3.857 1208 D HA -0.223 4.427 4.640 0.017 0.000 0.083 1208 D C -0.790 175.503 176.300 -0.012 0.000 0.896 1208 D CA 1.286 55.244 54.000 -0.070 0.000 0.442 1208 D CB 0.182 40.955 40.800 -0.046 0.000 0.971 1208 D HN 0.302 nan 8.370 nan 0.000 0.469 1209 L N 1.622 122.812 121.223 -0.054 0.000 2.223 1209 L HA 0.257 4.607 4.340 0.017 0.000 0.243 1209 L C 1.475 178.344 176.870 -0.001 0.000 1.105 1209 L CA -0.406 54.415 54.840 -0.031 0.000 0.943 1209 L CB 1.253 43.270 42.059 -0.070 0.000 1.542 1209 L HN 0.328 nan 8.230 nan 0.000 0.437 1210 S N -0.231 115.481 115.700 0.020 0.000 2.374 1210 S HA -0.145 4.336 4.470 0.017 0.000 0.227 1210 S C 1.046 175.699 174.600 0.088 0.000 1.037 1210 S CA 1.813 60.047 58.200 0.057 0.000 1.024 1210 S CB -0.545 62.688 63.200 0.054 0.000 0.861 1210 S HN 0.421 nan 8.310 nan 0.000 0.456 1211 M N 0.656 120.305 119.600 0.081 0.000 1.658 1211 M HA 0.267 4.758 4.480 0.017 0.000 0.094 1211 M C 0.826 177.036 176.300 -0.150 0.000 1.024 1211 M CA 0.819 56.183 55.300 0.107 0.000 0.474 1211 M CB -0.219 32.437 32.600 0.093 0.000 0.695 1211 M HN 0.117 nan 8.290 nan 0.000 0.264 1212 A N -0.296 122.313 122.820 -0.352 0.000 3.045 1212 A HA 0.416 4.747 4.320 0.017 0.000 0.244 1212 A C -0.137 176.847 177.584 -0.999 0.000 0.917 1212 A CA -0.784 50.941 52.037 -0.520 0.000 1.075 1212 A CB -0.077 18.734 19.000 -0.316 0.000 1.202 1212 A HN 0.616 nan 8.150 nan 0.000 0.486 1213 R N -1.128 118.856 120.500 -0.861 0.000 3.112 1213 R HA 0.729 5.079 4.340 0.017 0.000 0.227 1213 R C -3.095 172.752 176.300 -0.755 0.000 1.519 1213 R CA -2.090 53.539 56.100 -0.784 0.000 1.051 1213 R CB -0.697 29.390 30.300 -0.356 0.000 1.652 1213 R HN -0.028 nan 8.270 nan 0.000 0.517 1214 P HA 0.014 nan 4.420 nan 0.000 0.274 1214 P C -0.127 177.113 177.300 -0.100 0.000 1.246 1214 P CA -0.466 62.499 63.100 -0.226 0.000 0.795 1214 P CB 0.527 32.011 31.700 -0.360 0.000 1.006 1215 V N 1.539 121.485 119.914 0.054 0.000 3.096 1215 V HA 0.070 4.201 4.120 0.017 0.000 0.306 1215 V C 0.117 176.184 176.094 -0.045 0.000 1.088 1215 V CA 0.614 62.917 62.300 0.005 0.000 1.129 1215 V CB 0.529 32.374 31.823 0.037 0.000 1.014 1215 V HN 0.501 nan 8.190 nan 0.000 0.486 1216 S N 5.149 120.805 115.700 -0.074 0.000 2.578 1216 S HA 0.573 5.053 4.470 0.017 0.000 0.283 1216 S C -0.314 174.235 174.600 -0.085 0.000 1.195 1216 S CA -0.451 57.713 58.200 -0.061 0.000 1.050 1216 S CB 1.161 64.333 63.200 -0.047 0.000 1.012 1216 S HN 0.587 nan 8.310 nan 0.000 0.511 1217 I N 2.187 122.707 120.570 -0.083 0.000 2.452 1217 I HA 0.407 4.587 4.170 0.017 0.000 0.287 1217 I C 1.216 177.286 176.117 -0.078 0.000 1.079 1217 I CA 0.311 61.509 61.300 -0.171 0.000 1.387 1217 I CB -0.036 37.716 38.000 -0.413 0.000 1.404 1217 I HN 0.929 nan 8.210 nan 0.000 0.522 1218 G N 4.099 112.840 108.800 -0.099 0.000 2.167 1218 G HA2 -0.218 3.752 3.960 0.017 0.000 0.194 1218 G HA3 -0.218 3.752 3.960 0.017 0.000 0.194 1218 G C -0.147 174.715 174.900 -0.063 0.000 1.027 1218 G CA -0.417 44.654 45.100 -0.048 0.000 0.717 1218 G HN 0.742 nan 8.290 nan 0.000 0.501 1219 E N 0.601 120.737 120.200 -0.106 0.000 2.102 1219 E HA 0.643 5.003 4.350 0.017 0.000 0.263 1219 E C 0.811 177.329 176.600 -0.138 0.000 0.894 1219 E CA -0.304 56.028 56.400 -0.113 0.000 0.746 1219 E CB 0.659 30.281 29.700 -0.130 0.000 1.129 1219 E HN 0.956 nan 8.360 nan 0.000 0.416 1220 A N 3.915 126.677 122.820 -0.098 0.000 2.572 1220 A HA -0.030 4.301 4.320 0.017 0.000 0.256 1220 A C 0.676 178.194 177.584 -0.110 0.000 1.041 1220 A CA 0.188 52.172 52.037 -0.088 0.000 0.790 1220 A CB 0.323 19.290 19.000 -0.055 0.000 0.947 1220 A HN 0.587 nan 8.150 nan 0.000 0.518 1221 V N 3.290 123.120 119.914 -0.141 0.000 3.605 1221 V HA 0.093 4.224 4.120 0.017 0.000 0.284 1221 V C 2.053 178.134 176.094 -0.021 0.000 1.386 1221 V CA 1.268 63.474 62.300 -0.158 0.000 1.053 1221 V CB 0.403 31.963 31.823 -0.438 0.000 0.857 1221 V HN 1.023 nan 8.190 nan 0.000 0.436 1222 G N -0.153 108.631 108.800 -0.026 0.000 2.572 1222 G HA2 -0.053 3.917 3.960 0.017 0.000 0.216 1222 G HA3 -0.053 3.917 3.960 0.017 0.000 0.216 1222 G C 1.172 176.081 174.900 0.015 0.000 1.133 1222 G CA 0.672 45.775 45.100 0.005 0.000 0.791 1222 G HN 0.500 nan 8.290 nan 0.000 0.538 1223 I N -0.404 120.167 120.570 0.001 0.000 3.616 1223 I HA 0.150 4.331 4.170 0.017 0.000 0.296 1223 I C 2.387 178.488 176.117 -0.026 0.000 1.226 1223 I CA 0.267 61.563 61.300 -0.007 0.000 1.394 1223 I CB 0.336 38.331 38.000 -0.008 0.000 1.171 1223 I HN -0.079 nan 8.210 nan 0.000 0.442 1224 V N 1.167 121.069 119.914 -0.020 0.000 2.594 1224 V HA -0.246 3.884 4.120 0.017 0.000 0.253 1224 V C 2.527 178.525 176.094 -0.160 0.000 1.069 1224 V CA 1.983 64.259 62.300 -0.040 0.000 1.082 1224 V CB -0.866 30.974 31.823 0.029 0.000 0.680 1224 V HN 0.478 nan 8.190 nan 0.000 0.469 1225 A N -0.697 122.094 122.820 -0.048 0.000 2.021 1225 A HA 0.232 4.563 4.320 0.017 0.000 0.216 1225 A C 2.316 179.838 177.584 -0.103 0.000 1.163 1225 A CA 1.263 53.267 52.037 -0.055 0.000 0.676 1225 A CB -0.326 18.799 19.000 0.208 0.000 0.818 1225 A HN 0.507 nan 8.150 nan 0.000 0.453 1226 A N -0.029 122.749 122.820 -0.069 0.000 1.930 1226 A HA -0.098 4.233 4.320 0.017 0.000 0.215 1226 A C 2.050 179.594 177.584 -0.066 0.000 1.176 1226 A CA 1.470 53.467 52.037 -0.066 0.000 0.632 1226 A CB -0.364 18.614 19.000 -0.038 0.000 0.819 1226 A HN 0.615 nan 8.150 nan 0.000 0.445 1227 Q N 0.243 120.003 119.800 -0.067 0.000 2.302 1227 Q HA -0.028 4.322 4.340 0.017 0.000 0.202 1227 Q C 2.092 178.049 176.000 -0.072 0.000 0.936 1227 Q CA 1.054 56.837 55.803 -0.033 0.000 0.886 1227 Q CB -0.250 28.496 28.738 0.012 0.000 0.986 1227 Q HN 0.721 nan 8.270 nan 0.000 0.487 1228 S N 1.562 117.159 115.700 -0.172 0.000 2.389 1228 S HA -0.206 4.274 4.470 0.017 0.000 0.231 1228 S C 1.835 176.371 174.600 -0.107 0.000 1.052 1228 S CA 1.348 59.401 58.200 -0.245 0.000 1.053 1228 S CB -0.491 62.341 63.200 -0.614 0.000 0.886 1228 S HN 0.382 nan 8.310 nan 0.000 0.456 1229 I N 1.288 121.825 120.570 -0.056 0.000 3.860 1229 I HA 0.179 4.359 4.170 0.017 0.000 0.319 1229 I C 2.436 178.653 176.117 0.167 0.000 1.279 1229 I CA 0.469 61.795 61.300 0.043 0.000 1.220 1229 I CB -0.408 37.618 38.000 0.043 0.000 1.027 1229 I HN 0.446 nan 8.210 nan 0.000 0.428 1230 G N 0.486 109.333 108.800 0.079 0.000 2.426 1230 G HA2 -0.154 3.817 3.960 0.017 0.000 0.214 1230 G HA3 -0.154 3.817 3.960 0.017 0.000 0.214 1230 G C 1.543 176.503 174.900 0.099 0.000 1.156 1230 G CA 0.164 45.322 45.100 0.097 0.000 0.802 1230 G HN 0.177 nan 8.290 nan 0.000 0.534 1231 E N 1.431 121.669 120.200 0.063 0.000 2.016 1231 E HA -0.026 4.335 4.350 0.017 0.000 0.190 1231 E C 0.126 176.767 176.600 0.069 0.000 0.985 1231 E CA 0.968 57.402 56.400 0.057 0.000 0.802 1231 E CB -0.981 28.687 29.700 -0.053 0.000 0.762 1231 E HN 0.188 nan 8.360 nan 0.000 0.448 1232 P HA -0.135 nan 4.420 nan 0.000 0.213 1232 P C 1.321 178.679 177.300 0.097 0.000 1.176 1232 P CA 2.310 65.484 63.100 0.123 0.000 0.919 1232 P CB -0.553 31.294 31.700 0.245 0.000 0.791 1233 G N -1.516 107.395 108.800 0.185 0.000 2.659 1233 G HA2 -0.258 3.712 3.960 0.017 0.000 0.219 1233 G HA3 -0.258 3.712 3.960 0.017 0.000 0.219 1233 G C 0.986 175.889 174.900 0.004 0.000 1.105 1233 G CA 1.485 46.617 45.100 0.054 0.000 0.727 1233 G HN 0.272 nan 8.290 nan 0.000 0.583 1234 T N -0.435 114.137 114.554 0.031 0.000 3.107 1234 T HA 0.117 4.477 4.350 0.017 0.000 0.249 1234 T C 1.740 176.436 174.700 -0.006 0.000 1.096 1234 T CA 0.453 62.565 62.100 0.020 0.000 1.012 1234 T CB 0.209 69.107 68.868 0.050 0.000 0.977 1234 T HN 0.350 nan 8.240 nan 0.000 0.527 1235 Q N 0.523 120.307 119.800 -0.026 0.000 2.188 1235 Q HA 0.366 4.717 4.340 0.017 0.000 0.212 1235 Q C -0.383 175.568 176.000 -0.081 0.000 0.846 1235 Q CA -0.011 55.770 55.803 -0.037 0.000 0.989 1235 Q CB 0.304 29.029 28.738 -0.021 0.000 1.114 1235 Q HN 0.438 nan 8.270 nan 0.000 0.488 1236 L N 0.821 121.977 121.223 -0.112 0.000 2.295 1236 L HA 0.410 4.761 4.340 0.017 0.000 0.285 1236 L C 0.279 177.076 176.870 -0.122 0.000 1.035 1236 L CA -0.792 53.955 54.840 -0.155 0.000 0.806 1236 L CB 1.504 43.420 42.059 -0.240 0.000 1.214 1236 L HN 0.047 nan 8.230 nan 0.000 0.426 1237 T N 2.719 117.208 114.554 -0.108 0.000 2.785 1237 T HA -0.029 4.331 4.350 0.017 0.000 0.341 1237 T C 0.138 174.768 174.700 -0.117 0.000 1.093 1237 T CA 0.170 62.217 62.100 -0.089 0.000 1.103 1237 T CB 0.373 69.197 68.868 -0.074 0.000 1.011 1237 T HN 0.378 nan 8.240 nan 0.000 0.549 1238 M N 2.151 121.692 119.600 -0.097 0.000 2.007 1238 M HA 0.307 4.797 4.480 0.017 0.000 0.285 1238 M C 0.096 176.346 176.300 -0.083 0.000 0.893 1238 M CA -0.434 54.789 55.300 -0.127 0.000 0.925 1238 M CB 1.006 33.546 32.600 -0.100 0.000 1.568 1238 M HN 0.752 nan 8.290 nan 0.000 0.414 1239 R N 2.062 122.507 120.500 -0.093 0.000 1.806 1239 R HA 0.424 4.774 4.340 0.017 0.000 0.156 1239 R C -0.176 176.125 176.300 0.002 0.000 1.954 1239 R CA 0.863 56.942 56.100 -0.035 0.000 1.548 1239 R CB 0.314 30.596 30.300 -0.029 0.000 1.149 1239 R HN 0.580 nan 8.270 nan 0.000 0.478 1240 T N -1.306 113.255 114.554 0.011 0.000 2.840 1240 T HA 0.351 4.712 4.350 0.017 0.000 0.287 1240 T C 0.492 175.257 174.700 0.107 0.000 0.991 1240 T CA -0.756 61.407 62.100 0.104 0.000 0.964 1240 T CB 1.205 70.135 68.868 0.103 0.000 0.954 1240 T HN 0.121 nan 8.240 nan 0.000 0.438 1241 F N 1.098 121.032 119.950 -0.026 0.000 2.021 1241 F HA -0.146 4.392 4.527 0.018 0.000 0.297 1241 F C 2.100 177.877 175.800 -0.038 0.000 1.152 1241 F CA 1.616 59.585 58.000 -0.052 0.000 1.201 1241 F CB -0.539 38.423 39.000 -0.064 0.000 0.951 1241 F HN 0.652 nan 8.300 nan 0.000 0.504 1242 H N 1.771 120.975 119.070 0.223 0.000 3.198 1242 H HA 0.113 4.680 4.556 0.018 0.000 0.255 1242 H C -0.042 175.333 175.328 0.078 0.000 1.729 1242 H CA -0.105 56.017 56.048 0.123 0.000 1.495 1242 H CB -1.105 28.717 29.762 0.101 0.000 1.807 1242 H HN 0.103 nan 8.280 nan 0.000 0.554 1243 T N 1.018 115.662 114.554 0.149 0.000 2.746 1243 T HA 0.028 4.388 4.350 0.017 0.000 0.267 1243 T C 1.342 176.090 174.700 0.081 0.000 1.022 1243 T CA 1.047 63.197 62.100 0.083 0.000 1.144 1243 T CB 0.322 69.216 68.868 0.043 0.000 1.061 1243 T HN 0.915 nan 8.240 nan 0.000 0.470 1244 G N 1.718 110.549 108.800 0.052 0.000 2.550 1244 G HA2 0.271 4.242 3.960 0.017 0.000 0.277 1244 G HA3 0.271 4.242 3.960 0.017 0.000 0.277 1244 G C 0.224 175.150 174.900 0.044 0.000 1.190 1244 G CA 0.058 45.182 45.100 0.041 0.000 0.971 1244 G HN 2.176 nan 8.290 nan 0.000 0.559 1245 G N -3.430 105.390 108.800 0.033 0.000 2.367 1245 G HA2 0.547 4.517 3.960 0.017 0.000 0.272 1245 G HA3 0.547 4.517 3.960 0.017 0.000 0.272 1245 G C -1.337 173.571 174.900 0.015 0.000 1.271 1245 G CA 0.519 45.634 45.100 0.026 0.000 0.893 1245 G HN 1.754 nan 8.290 nan 0.000 0.485 1246 V N 1.035 120.955 119.914 0.010 0.000 2.350 1246 V HA 0.735 4.866 4.120 0.017 0.000 0.276 1246 V C 0.418 176.515 176.094 0.005 0.000 1.028 1246 V CA 0.418 62.721 62.300 0.005 0.000 0.860 1246 V CB 0.410 32.234 31.823 0.001 0.000 0.990 1246 V HN 2.082 nan 8.190 nan 0.000 0.453 1247 A N 3.972 126.795 122.820 0.004 0.000 2.045 1247 A HA 0.619 4.950 4.320 0.017 0.000 0.298 1247 A C 0.507 178.092 177.584 0.003 0.000 1.052 1247 A CA 0.262 52.300 52.037 0.003 0.000 0.961 1247 A CB 0.175 19.177 19.000 0.003 0.000 1.350 1247 A HN 1.920 nan 8.150 nan 0.000 0.352 1248 G N 1.479 110.279 108.800 0.001 0.000 2.815 1248 G HA2 0.214 4.184 3.960 0.017 0.000 0.326 1248 G HA3 0.214 4.184 3.960 0.017 0.000 0.326 1248 G C 0.851 175.753 174.900 0.004 0.000 1.191 1248 G CA 1.471 46.572 45.100 0.002 0.000 0.965 1248 G HN 2.687 nan 8.290 nan 0.000 0.564 1249 A N -0.809 122.015 122.820 0.006 0.000 3.124 1249 A HA 0.847 5.177 4.320 0.017 0.000 0.295 1249 A C 0.057 177.646 177.584 0.009 0.000 1.199 1249 A CA 0.961 53.002 52.037 0.007 0.000 0.845 1249 A CB 0.395 19.398 19.000 0.006 0.000 1.381 1249 A HN 2.357 nan 8.150 nan 0.000 0.537 1250 A N 1.346 124.172 122.820 0.010 0.000 2.666 1250 A HA 0.447 4.778 4.320 0.017 0.000 0.301 1250 A C 0.624 178.216 177.584 0.013 0.000 1.470 1250 A CA -0.042 52.003 52.037 0.012 0.000 1.159 1250 A CB -0.351 18.657 19.000 0.015 0.000 1.116 1250 A HN 0.614 nan 8.150 nan 0.000 0.548 1251 D N 1.622 122.029 120.400 0.012 0.000 2.095 1251 D HA -0.096 4.554 4.640 0.017 0.000 0.192 1251 D C 1.144 177.453 176.300 0.015 0.000 0.990 1251 D CA 1.968 55.975 54.000 0.012 0.000 0.836 1251 D CB -0.296 40.510 40.800 0.011 0.000 0.979 1251 D HN 0.761 nan 8.370 nan 0.000 0.447 1252 I N -2.009 118.569 120.570 0.013 0.000 2.577 1252 I HA 0.407 4.588 4.170 0.017 0.000 0.305 1252 I C 0.151 176.274 176.117 0.010 0.000 0.986 1252 I CA -0.805 60.503 61.300 0.013 0.000 1.189 1252 I CB 1.927 39.933 38.000 0.010 0.000 1.355 1252 I HN -0.213 nan 8.210 nan 0.000 0.476 1253 T N 3.328 117.888 114.554 0.009 0.000 2.771 1253 T HA 0.376 4.736 4.350 0.017 0.000 0.281 1253 T C -0.403 174.284 174.700 -0.021 0.000 0.982 1253 T CA -0.289 61.811 62.100 0.000 0.000 0.978 1253 T CB 1.101 69.977 68.868 0.013 0.000 0.930 1253 T HN 0.716 nan 8.240 nan 0.000 0.447 1254 Q N 2.324 122.103 119.800 -0.036 0.000 2.873 1254 Q HA 0.705 5.055 4.340 0.017 0.000 0.297 1254 Q C 0.743 176.691 176.000 -0.086 0.000 1.064 1254 Q CA 0.454 56.224 55.803 -0.055 0.000 0.816 1254 Q CB 1.436 30.147 28.738 -0.046 0.000 1.481 1254 Q HN 1.201 nan 8.270 nan 0.000 0.488 1255 G N 0.651 109.385 108.800 -0.111 0.000 2.575 1255 G HA2 -0.327 3.643 3.960 0.017 0.000 0.267 1255 G HA3 -0.327 3.643 3.960 0.017 0.000 0.267 1255 G C 0.499 175.291 174.900 -0.179 0.000 1.264 1255 G CA 0.257 45.268 45.100 -0.149 0.000 0.935 1255 G HN 0.532 nan 8.290 nan 0.000 0.568 1256 L N 2.004 123.103 121.223 -0.207 0.000 2.046 1256 L HA 0.103 4.454 4.340 0.017 0.000 0.208 1256 L C 0.470 177.186 176.870 -0.257 0.000 1.077 1256 L CA 3.138 57.838 54.840 -0.234 0.000 0.747 1256 L CB -1.173 40.704 42.059 -0.304 0.000 0.896 1256 L HN 0.445 nan 8.230 nan 0.000 0.432 1257 P HA -0.231 nan 4.420 nan 0.000 0.216 1257 P C 1.531 178.758 177.300 -0.122 0.000 1.154 1257 P CA 1.691 64.649 63.100 -0.237 0.000 0.865 1257 P CB -0.066 31.542 31.700 -0.154 0.000 0.789 1258 R N -0.380 120.065 120.500 -0.092 0.000 2.052 1258 R HA -0.066 4.284 4.340 0.017 0.000 0.226 1258 R C 1.957 178.226 176.300 -0.051 0.000 1.145 1258 R CA 1.238 57.304 56.100 -0.057 0.000 0.952 1258 R CB -1.036 29.232 30.300 -0.054 0.000 0.847 1258 R HN -0.107 nan 8.270 nan 0.000 0.431 1259 V N 1.805 121.691 119.914 -0.047 0.000 2.495 1259 V HA -0.326 3.805 4.120 0.017 0.000 0.260 1259 V C 2.247 178.395 176.094 0.090 0.000 1.097 1259 V CA 1.509 63.816 62.300 0.012 0.000 1.105 1259 V CB -0.504 31.388 31.823 0.116 0.000 0.678 1259 V HN 0.389 nan 8.190 nan 0.000 0.469 1260 I N -0.514 120.093 120.570 0.063 0.000 2.385 1260 I HA -0.095 4.086 4.170 0.017 0.000 0.244 1260 I C 2.467 178.626 176.117 0.070 0.000 1.089 1260 I CA 1.370 62.749 61.300 0.132 0.000 1.410 1260 I CB -1.050 37.005 38.000 0.093 0.000 1.117 1260 I HN 0.423 nan 8.210 nan 0.000 0.429 1261 E N 0.659 120.847 120.200 -0.020 0.000 2.331 1261 E HA -0.241 4.120 4.350 0.017 0.000 0.199 1261 E C 2.034 178.643 176.600 0.016 0.000 1.008 1261 E CA 0.923 57.303 56.400 -0.033 0.000 0.843 1261 E CB 0.210 29.903 29.700 -0.012 0.000 0.761 1261 E HN 0.207 nan 8.360 nan 0.000 0.507 1262 L N -0.811 120.408 121.223 -0.007 0.000 2.185 1262 L HA 0.084 4.434 4.340 0.017 0.000 0.198 1262 L C 1.687 178.550 176.870 -0.010 0.000 1.079 1262 L CA 1.257 56.057 54.840 -0.068 0.000 0.780 1262 L CB -0.501 41.425 42.059 -0.223 0.000 0.955 1262 L HN 0.160 nan 8.230 nan 0.000 0.462 1263 F N -0.508 119.481 119.950 0.065 0.000 2.641 1263 F HA -0.092 4.445 4.527 0.017 0.000 0.298 1263 F C 0.736 176.590 175.800 0.090 0.000 1.146 1263 F CA 0.323 58.371 58.000 0.080 0.000 1.464 1263 F CB 0.219 39.275 39.000 0.093 0.000 1.101 1263 F HN 0.129 nan 8.300 nan 0.000 0.585 1264 E N 0.601 120.947 120.200 0.242 0.000 3.303 1264 E HA 0.388 4.748 4.350 0.017 0.000 0.215 1264 E C -0.253 176.427 176.600 0.134 0.000 1.181 1264 E CA -0.427 56.082 56.400 0.182 0.000 0.998 1264 E CB 0.536 30.331 29.700 0.157 0.000 1.312 1264 E HN 0.138 nan 8.360 nan 0.000 0.412 1265 A N 3.153 126.057 122.820 0.141 0.000 2.336 1265 A HA -0.161 4.169 4.320 0.017 0.000 0.311 1265 A C 0.074 177.644 177.584 -0.022 0.000 0.919 1265 A CA 1.180 53.263 52.037 0.078 0.000 1.275 1265 A CB -0.156 18.956 19.000 0.187 0.000 0.717 1265 A HN 0.566 nan 8.150 nan 0.000 0.359 1266 R N 0.381 120.867 120.500 -0.024 0.000 2.817 1266 R HA 0.538 4.889 4.340 0.017 0.000 0.268 1266 R C -0.331 175.963 176.300 -0.010 0.000 1.027 1266 R CA -1.188 54.914 56.100 0.004 0.000 0.928 1266 R CB 1.153 31.559 30.300 0.177 0.000 1.228 1266 R HN 0.610 nan 8.270 nan 0.000 0.469 1267 R N 1.882 122.387 120.500 0.009 0.000 2.309 1267 R HA 0.201 4.552 4.340 0.017 0.000 0.331 1267 R C -2.159 174.165 176.300 0.039 0.000 1.116 1267 R CA -1.321 54.777 56.100 -0.003 0.000 0.970 1267 R CB 0.093 30.383 30.300 -0.018 0.000 1.024 1267 R HN 0.314 nan 8.270 nan 0.000 0.472 1268 P HA -0.058 nan 4.420 nan 0.000 0.287 1268 P C 0.192 177.516 177.300 0.040 0.000 1.282 1268 P CA -0.114 63.020 63.100 0.057 0.000 0.804 1268 P CB 0.615 32.343 31.700 0.047 0.000 1.323 1269 K N -0.625 119.798 120.400 0.038 0.000 2.103 1269 K HA 0.194 4.524 4.320 0.017 0.000 0.215 1269 K C 0.863 177.470 176.600 0.011 0.000 1.027 1269 K CA 0.627 56.929 56.287 0.025 0.000 0.953 1269 K CB -0.900 31.617 32.500 0.028 0.000 0.904 1269 K HN 0.372 nan 8.250 nan 0.000 0.454 1270 A N 3.648 126.475 122.820 0.011 0.000 2.797 1270 A HA 0.018 4.348 4.320 0.017 0.000 0.296 1270 A C 0.197 177.779 177.584 -0.004 0.000 1.580 1270 A CA -0.009 52.029 52.037 0.002 0.000 1.277 1270 A CB -0.525 18.477 19.000 0.004 0.000 1.101 1270 A HN 0.208 nan 8.150 nan 0.000 0.562 1271 K N 2.718 123.110 120.400 -0.012 0.000 2.382 1271 K HA 0.278 4.609 4.320 0.017 0.000 0.286 1271 K C -0.181 176.395 176.600 -0.040 0.000 1.062 1271 K CA 0.274 56.546 56.287 -0.025 0.000 1.000 1271 K CB 0.228 32.710 32.500 -0.031 0.000 0.954 1271 K HN 0.578 nan 8.250 nan 0.000 0.470 1272 A N 5.274 128.067 122.820 -0.045 0.000 2.280 1272 A HA 0.244 4.575 4.320 0.017 0.000 0.320 1272 A C 0.114 177.637 177.584 -0.102 0.000 1.366 1272 A CA -0.805 51.196 52.037 -0.061 0.000 0.938 1272 A CB 0.301 19.277 19.000 -0.040 0.000 1.157 1272 A HN 0.689 nan 8.150 nan 0.000 0.536 1273 V N 2.023 121.849 119.914 -0.146 0.000 2.678 1273 V HA 0.161 4.291 4.120 0.017 0.000 0.304 1273 V C 0.284 176.217 176.094 -0.269 0.000 1.086 1273 V CA -0.061 62.092 62.300 -0.245 0.000 1.246 1273 V CB -1.477 30.123 31.823 -0.371 0.000 0.861 1273 V HN 0.731 nan 8.190 nan 0.000 0.491 1274 I N 2.669 123.089 120.570 -0.250 0.000 2.834 1274 I HA 0.607 4.788 4.170 0.017 0.000 0.305 1274 I C 0.603 176.600 176.117 -0.200 0.000 1.008 1274 I CA -0.628 60.564 61.300 -0.180 0.000 1.273 1274 I CB 0.950 38.879 38.000 -0.117 0.000 1.432 1274 I HN 0.590 nan 8.210 nan 0.000 0.557 1275 S N 1.303 116.979 115.700 -0.040 0.000 2.434 1275 S HA 0.284 4.765 4.470 0.017 0.000 0.318 1275 S C 0.794 175.478 174.600 0.141 0.000 1.062 1275 S CA -0.493 57.787 58.200 0.133 0.000 1.116 1275 S CB -0.115 63.154 63.200 0.115 0.000 0.977 1275 S HN 0.713 nan 8.310 nan 0.000 0.480 1276 E N 3.724 124.064 120.200 0.234 0.000 2.028 1276 E HA -0.041 4.319 4.350 0.017 0.000 0.191 1276 E C 0.319 176.983 176.600 0.107 0.000 0.988 1276 E CA 0.901 57.394 56.400 0.155 0.000 0.799 1276 E CB 0.004 29.817 29.700 0.187 0.000 0.755 1276 E HN 0.626 nan 8.360 nan 0.000 0.447 1277 I N 2.273 122.894 120.570 0.086 0.000 2.886 1277 I HA 0.044 4.225 4.170 0.017 0.000 0.299 1277 I C -0.288 175.788 176.117 -0.067 0.000 1.044 1277 I CA -0.475 60.819 61.300 -0.011 0.000 1.310 1277 I CB 0.591 38.539 38.000 -0.087 0.000 1.441 1277 I HN 0.010 nan 8.210 nan 0.000 0.578 1278 D N 3.369 123.683 120.400 -0.143 0.000 2.549 1278 D HA 0.592 5.243 4.640 0.017 0.000 0.251 1278 D C 0.020 175.960 176.300 -0.601 0.000 1.153 1278 D CA -0.320 53.542 54.000 -0.231 0.000 0.861 1278 D CB 2.119 42.940 40.800 0.036 0.000 1.207 1278 D HN 0.793 nan 8.370 nan 0.000 0.543 1279 G N 0.582 108.802 108.800 -0.967 0.000 2.927 1279 G HA2 0.343 4.313 3.960 0.017 0.000 0.111 1279 G HA3 0.343 4.313 3.960 0.017 0.000 0.111 1279 G C -1.453 173.022 174.900 -0.708 0.000 1.198 1279 G CA -0.303 44.176 45.100 -1.036 0.000 1.382 1279 G HN 0.389 nan 8.290 nan 0.000 0.663 1280 V N 1.006 120.734 119.914 -0.310 0.000 2.604 1280 V HA 0.683 4.813 4.120 0.017 0.000 0.305 1280 V C -0.165 175.880 176.094 -0.081 0.000 1.043 1280 V CA -0.745 61.473 62.300 -0.138 0.000 0.888 1280 V CB 1.614 33.396 31.823 -0.070 0.000 0.995 1280 V HN 0.524 nan 8.190 nan 0.000 0.429 1281 V N 4.905 124.800 119.914 -0.033 0.000 2.481 1281 V HA 0.583 4.714 4.120 0.017 0.000 0.286 1281 V C 0.121 176.229 176.094 0.022 0.000 1.042 1281 V CA -0.574 61.731 62.300 0.010 0.000 0.928 1281 V CB 1.460 33.300 31.823 0.028 0.000 0.986 1281 V HN 0.854 nan 8.190 nan 0.000 0.462 1282 R N 3.911 124.441 120.500 0.051 0.000 2.807 1282 R HA 0.809 5.160 4.340 0.017 0.000 0.276 1282 R C -1.346 174.996 176.300 0.071 0.000 0.979 1282 R CA -0.723 55.390 56.100 0.021 0.000 0.928 1282 R CB 2.483 32.756 30.300 -0.044 0.000 1.191 1282 R HN 0.595 nan 8.270 nan 0.000 0.471 1283 I N 0.858 121.448 120.570 0.033 0.000 2.865 1283 I HA 0.401 4.581 4.170 0.017 0.000 0.302 1283 I C -0.480 175.648 176.117 0.019 0.000 1.140 1283 I CA -0.960 60.382 61.300 0.071 0.000 1.021 1283 I CB 2.447 40.486 38.000 0.065 0.000 1.233 1283 I HN 0.395 nan 8.210 nan 0.000 0.427 1284 E N 2.970 123.200 120.200 0.049 0.000 2.378 1284 E HA 0.298 4.659 4.350 0.017 0.000 0.265 1284 E C -0.704 175.917 176.600 0.034 0.000 0.932 1284 E CA -0.416 55.992 56.400 0.014 0.000 0.795 1284 E CB 1.924 31.619 29.700 -0.009 0.000 1.296 1284 E HN 0.609 nan 8.360 nan 0.000 0.438 1285 E N -0.122 120.089 120.200 0.018 0.000 2.789 1285 E HA 0.127 4.488 4.350 0.017 0.000 0.208 1285 E C -0.699 175.914 176.600 0.022 0.000 0.988 1285 E CA -0.339 56.074 56.400 0.021 0.000 1.092 1285 E CB -0.223 29.485 29.700 0.012 0.000 1.066 1285 E HN 0.156 nan 8.360 nan 0.000 0.465 1286 T N 2.236 116.807 114.554 0.028 0.000 2.834 1286 T HA 0.031 4.391 4.350 0.017 0.000 0.298 1286 T C 1.012 175.728 174.700 0.026 0.000 0.966 1286 T CA -0.004 62.111 62.100 0.025 0.000 1.141 1286 T CB 1.272 70.158 68.868 0.029 0.000 0.905 1286 T HN 0.179 nan 8.240 nan 0.000 0.535 1287 E N 2.171 122.383 120.200 0.020 0.000 2.684 1287 E HA -0.384 3.977 4.350 0.017 0.000 0.234 1287 E C 1.749 178.361 176.600 0.020 0.000 0.894 1287 E CA 2.281 58.692 56.400 0.018 0.000 1.160 1287 E CB -0.271 29.438 29.700 0.015 0.000 1.195 1287 E HN 0.869 nan 8.360 nan 0.000 0.509 1288 E N 1.316 121.528 120.200 0.020 0.000 2.000 1288 E HA -0.135 4.226 4.350 0.017 0.000 0.199 1288 E C 0.235 176.849 176.600 0.024 0.000 1.011 1288 E CA 1.226 57.638 56.400 0.020 0.000 0.836 1288 E CB 0.112 29.823 29.700 0.018 0.000 0.778 1288 E HN 0.057 nan 8.360 nan 0.000 0.462 1289 K N 0.739 121.157 120.400 0.030 0.000 2.110 1289 K HA 0.323 4.654 4.320 0.017 0.000 0.263 1289 K C -0.408 176.221 176.600 0.049 0.000 0.975 1289 K CA -0.531 55.777 56.287 0.035 0.000 0.895 1289 K CB 1.679 34.199 32.500 0.034 0.000 1.060 1289 K HN 0.131 nan 8.250 nan 0.000 0.448 1290 L N 1.273 122.526 121.223 0.050 0.000 2.456 1290 L HA 0.257 4.608 4.340 0.017 0.000 0.257 1290 L C -0.387 176.540 176.870 0.095 0.000 1.162 1290 L CA 0.059 54.938 54.840 0.066 0.000 0.808 1290 L CB 1.152 43.243 42.059 0.054 0.000 1.136 1290 L HN 0.793 nan 8.230 nan 0.000 0.466 1291 S N 1.643 117.429 115.700 0.142 0.000 2.736 1291 S HA 0.531 5.011 4.470 0.017 0.000 0.285 1291 S C -1.092 173.683 174.600 0.292 0.000 1.163 1291 S CA -0.794 57.542 58.200 0.227 0.000 1.025 1291 S CB 1.505 64.950 63.200 0.409 0.000 1.030 1291 S HN 0.240 nan 8.310 nan 0.000 0.486 1292 V N 4.682 124.727 119.914 0.218 0.000 2.293 1292 V HA 0.516 4.647 4.120 0.017 0.000 0.275 1292 V C -1.018 175.198 176.094 0.203 0.000 1.021 1292 V CA -0.408 62.035 62.300 0.238 0.000 0.815 1292 V CB -0.176 31.753 31.823 0.177 0.000 1.025 1292 V HN 0.830 nan 8.190 nan 0.000 0.448 1293 F N 3.512 123.464 119.950 0.003 0.000 2.408 1293 F HA 0.736 5.274 4.527 0.017 0.000 0.325 1293 F C 0.330 176.079 175.800 -0.086 0.000 1.082 1293 F CA -0.811 57.144 58.000 -0.075 0.000 1.032 1293 F CB 1.681 40.641 39.000 -0.068 0.000 1.259 1293 F HN 0.139 nan 8.300 nan 0.000 0.503 1294 V N 0.691 120.612 119.914 0.012 0.000 2.876 1294 V HA 0.552 4.682 4.120 0.017 0.000 0.312 1294 V C -1.170 174.879 176.094 -0.075 0.000 1.085 1294 V CA -0.950 61.317 62.300 -0.055 0.000 0.945 1294 V CB 2.336 34.090 31.823 -0.116 0.000 1.017 1294 V HN 0.789 nan 8.190 nan 0.000 0.428 1295 E N 1.632 121.763 120.200 -0.117 0.000 2.335 1295 E HA 0.595 4.956 4.350 0.017 0.000 0.280 1295 E C -1.076 175.409 176.600 -0.191 0.000 0.918 1295 E CA -0.605 55.716 56.400 -0.131 0.000 0.765 1295 E CB 2.224 31.889 29.700 -0.059 0.000 1.218 1295 E HN 0.516 nan 8.360 nan 0.000 0.425 1296 S N 0.643 116.199 115.700 -0.240 0.000 2.747 1296 S HA 0.142 4.622 4.470 0.017 0.000 0.300 1296 S C 0.917 175.426 174.600 -0.152 0.000 1.121 1296 S CA -0.126 57.934 58.200 -0.233 0.000 0.995 1296 S CB 1.231 64.214 63.200 -0.363 0.000 1.113 1296 S HN 0.738 nan 8.310 nan 0.000 0.547 1297 E N 0.840 120.981 120.200 -0.100 0.000 2.333 1297 E HA 0.038 4.398 4.350 0.017 0.000 0.198 1297 E C 1.305 177.874 176.600 -0.052 0.000 1.007 1297 E CA 1.312 57.680 56.400 -0.054 0.000 0.845 1297 E CB -0.576 29.108 29.700 -0.027 0.000 0.766 1297 E HN 0.599 nan 8.360 nan 0.000 0.507 1298 G N 0.938 109.672 108.800 -0.110 0.000 2.558 1298 G HA2 0.234 4.205 3.960 0.017 0.000 0.218 1298 G HA3 0.234 4.205 3.960 0.017 0.000 0.218 1298 G C 0.201 175.114 174.900 0.021 0.000 1.567 1298 G CA 0.362 45.434 45.100 -0.047 0.000 0.950 1298 G HN 0.335 nan 8.290 nan 0.000 0.517 1299 F N -0.747 119.191 119.950 -0.020 0.000 2.579 1299 F HA 0.873 5.410 4.527 0.018 0.000 0.324 1299 F C 0.034 175.811 175.800 -0.039 0.000 1.058 1299 F CA -1.344 56.640 58.000 -0.026 0.000 0.944 1299 F CB 1.480 40.464 39.000 -0.027 0.000 1.245 1299 F HN 0.143 nan 8.300 nan 0.000 0.477 1300 S N 0.358 116.158 115.700 0.167 0.000 2.623 1300 S HA 0.783 5.264 4.470 0.017 0.000 0.287 1300 S C -1.113 173.534 174.600 0.078 0.000 1.123 1300 S CA -0.795 57.446 58.200 0.068 0.000 1.016 1300 S CB 1.143 64.402 63.200 0.098 0.000 1.233 1300 S HN 0.666 nan 8.310 nan 0.000 0.512 1301 K N 1.223 121.589 120.400 -0.056 0.000 2.633 1301 K HA 0.124 4.455 4.320 0.017 0.000 0.268 1301 K C -1.740 174.513 176.600 -0.578 0.000 1.005 1301 K CA -0.091 56.042 56.287 -0.256 0.000 0.976 1301 K CB 0.940 33.245 32.500 -0.324 0.000 1.372 1301 K HN 0.535 nan 8.250 nan 0.000 0.420 1302 E N 3.933 123.721 120.200 -0.686 0.000 2.343 1302 E HA 0.167 4.527 4.350 0.017 0.000 0.269 1302 E C -1.038 175.156 176.600 -0.676 0.000 1.047 1302 E CA -0.156 55.507 56.400 -1.228 0.000 0.874 1302 E CB 0.655 29.724 29.700 -1.052 0.000 1.033 1302 E HN 0.663 nan 8.360 nan 0.000 0.409 1303 Y N 3.660 123.639 120.300 -0.535 0.000 2.402 1303 Y HA 0.111 4.672 4.550 0.018 0.000 0.325 1303 Y C -0.010 175.783 175.900 -0.178 0.000 1.009 1303 Y CA -1.310 56.640 58.100 -0.249 0.000 1.278 1303 Y CB 1.218 39.583 38.460 -0.159 0.000 1.105 1303 Y HN 0.327 nan 8.280 nan 0.000 0.476 1304 K N 4.826 125.245 120.400 0.031 0.000 2.382 1304 K HA 0.155 4.485 4.320 0.017 0.000 0.286 1304 K C -0.835 175.774 176.600 0.016 0.000 1.062 1304 K CA 0.228 56.524 56.287 0.015 0.000 1.000 1304 K CB 0.799 33.304 32.500 0.008 0.000 0.954 1304 K HN 0.680 nan 8.250 nan 0.000 0.470 1305 L N 5.508 126.747 121.223 0.026 0.000 2.272 1305 L HA 0.254 4.605 4.340 0.017 0.000 0.284 1305 L C -2.246 174.634 176.870 0.015 0.000 1.045 1305 L CA -2.232 52.616 54.840 0.013 0.000 0.842 1305 L CB 1.419 43.492 42.059 0.024 0.000 1.224 1305 L HN 0.304 nan 8.230 nan 0.000 0.430 1306 P HA 0.057 nan 4.420 nan 0.000 0.271 1306 P C 0.421 177.727 177.300 0.009 0.000 1.233 1306 P CA -0.364 62.741 63.100 0.008 0.000 0.764 1306 P CB 0.665 32.366 31.700 0.002 0.000 0.825 1307 K N 3.052 123.460 120.400 0.013 0.000 2.728 1307 K HA -0.356 3.974 4.320 0.017 0.000 0.202 1307 K C 0.325 176.931 176.600 0.011 0.000 0.892 1307 K CA 2.292 58.587 56.287 0.013 0.000 0.885 1307 K CB -1.395 31.112 32.500 0.012 0.000 1.360 1307 K HN 0.466 nan 8.250 nan 0.000 0.539 1308 E N 1.490 121.694 120.200 0.007 0.000 2.379 1308 E HA 0.255 4.616 4.350 0.017 0.000 0.209 1308 E C -0.390 176.212 176.600 0.003 0.000 1.284 1308 E CA 0.082 56.485 56.400 0.005 0.000 1.333 1308 E CB 0.320 30.022 29.700 0.003 0.000 1.307 1308 E HN 0.475 nan 8.360 nan 0.000 0.441 1309 A N 1.960 124.783 122.820 0.005 0.000 2.303 1309 A HA 0.407 4.738 4.320 0.017 0.000 0.320 1309 A C 0.022 177.610 177.584 0.007 0.000 1.192 1309 A CA -0.992 51.046 52.037 0.003 0.000 0.821 1309 A CB 0.427 19.427 19.000 0.001 0.000 1.188 1309 A HN 0.383 nan 8.150 nan 0.000 0.492 1310 R N 3.466 123.970 120.500 0.005 0.000 3.559 1310 R HA 0.398 4.748 4.340 0.017 0.000 0.273 1310 R C -0.525 175.780 176.300 0.008 0.000 1.423 1310 R CA -0.517 55.588 56.100 0.008 0.000 1.581 1310 R CB -0.662 29.642 30.300 0.007 0.000 1.338 1310 R HN 0.665 nan 8.270 nan 0.000 0.667 1311 L N -0.750 120.480 121.223 0.011 0.000 2.615 1311 L HA 0.027 4.378 4.340 0.017 0.000 0.284 1311 L C 0.328 177.207 176.870 0.015 0.000 1.237 1311 L CA -0.012 54.837 54.840 0.013 0.000 0.905 1311 L CB 0.269 42.342 42.059 0.024 0.000 1.149 1311 L HN 0.510 nan 8.230 nan 0.000 0.499 1312 L N 4.217 125.448 121.223 0.013 0.000 2.685 1312 L HA 0.272 4.622 4.340 0.017 0.000 0.233 1312 L C 0.535 177.418 176.870 0.021 0.000 1.173 1312 L CA -0.090 54.759 54.840 0.015 0.000 0.961 1312 L CB 0.757 42.824 42.059 0.013 0.000 1.217 1312 L HN 0.704 nan 8.230 nan 0.000 0.478 1313 V N -0.259 119.670 119.914 0.025 0.000 3.285 1313 V HA 0.650 4.780 4.120 0.017 0.000 0.302 1313 V C -1.158 174.955 176.094 0.031 0.000 1.247 1313 V CA -0.513 61.806 62.300 0.031 0.000 1.035 1313 V CB 2.278 34.125 31.823 0.040 0.000 1.223 1313 V HN 0.261 nan 8.190 nan 0.000 0.475 1314 K N 0.460 120.880 120.400 0.033 0.000 2.625 1314 K HA 0.244 4.574 4.320 0.017 0.000 0.284 1314 K C -1.479 175.138 176.600 0.028 0.000 0.984 1314 K CA -0.637 55.668 56.287 0.029 0.000 0.865 1314 K CB 0.774 33.288 32.500 0.023 0.000 1.468 1314 K HN 0.458 nan 8.250 nan 0.000 0.407 1315 D N 0.730 121.144 120.400 0.023 0.000 2.542 1315 D HA 0.225 4.875 4.640 0.017 0.000 0.242 1315 D C 0.609 176.917 176.300 0.013 0.000 1.207 1315 D CA 1.738 55.747 54.000 0.016 0.000 1.172 1315 D CB -0.714 40.091 40.800 0.008 0.000 1.126 1315 D HN 0.763 nan 8.370 nan 0.000 0.500 1316 G N 2.336 111.146 108.800 0.016 0.000 3.847 1316 G HA2 -0.125 3.845 3.960 0.017 0.000 0.189 1316 G HA3 -0.125 3.845 3.960 0.017 0.000 0.189 1316 G C 0.039 174.959 174.900 0.034 0.000 0.907 1316 G CA -0.464 44.648 45.100 0.020 0.000 0.893 1316 G HN 0.338 nan 8.290 nan 0.000 0.379 1317 D N -0.025 120.400 120.400 0.040 0.000 2.198 1317 D HA 0.402 5.053 4.640 0.017 0.000 0.247 1317 D C -0.877 175.477 176.300 0.090 0.000 1.010 1317 D CA -0.469 53.573 54.000 0.071 0.000 0.880 1317 D CB 1.795 42.634 40.800 0.066 0.000 1.209 1317 D HN 0.057 nan 8.370 nan 0.000 0.451 1318 Y N 1.820 122.121 120.300 0.002 0.000 2.754 1318 Y HA 0.078 4.638 4.550 0.017 0.000 0.349 1318 Y C 0.202 176.106 175.900 0.007 0.000 1.179 1318 Y CA -0.114 57.986 58.100 0.000 0.000 1.538 1318 Y CB 0.017 38.473 38.460 -0.007 0.000 1.200 1318 Y HN 0.001 nan 8.280 nan 0.000 0.522 1319 V N 3.707 123.623 119.914 0.003 0.000 2.348 1319 V HA 0.369 4.499 4.120 0.017 0.000 0.270 1319 V C 0.013 176.152 176.094 0.074 0.000 1.037 1319 V CA -1.132 61.201 62.300 0.057 0.000 0.872 1319 V CB 0.865 32.700 31.823 0.019 0.000 1.002 1319 V HN 0.663 nan 8.190 nan 0.000 0.464 1320 E N 3.567 123.876 120.200 0.180 0.000 2.398 1320 E HA 0.526 4.886 4.350 0.017 0.000 0.263 1320 E C 0.786 177.440 176.600 0.090 0.000 1.046 1320 E CA 0.151 56.660 56.400 0.182 0.000 0.908 1320 E CB 1.015 30.811 29.700 0.159 0.000 0.963 1320 E HN 1.123 nan 8.360 nan 0.000 0.431 1321 A N 2.558 125.427 122.820 0.082 0.000 2.580 1321 A HA 0.293 4.623 4.320 0.017 0.000 0.244 1321 A C 1.198 178.806 177.584 0.038 0.000 1.045 1321 A CA 0.868 52.938 52.037 0.056 0.000 0.761 1321 A CB -0.782 18.253 19.000 0.057 0.000 0.962 1321 A HN 0.929 nan 8.150 nan 0.000 0.512 1322 G N 1.108 109.921 108.800 0.022 0.000 2.143 1322 G HA2 -0.243 3.728 3.960 0.017 0.000 0.248 1322 G HA3 -0.243 3.728 3.960 0.017 0.000 0.248 1322 G C 0.188 175.069 174.900 -0.032 0.000 0.991 1322 G CA 0.590 45.680 45.100 -0.016 0.000 0.689 1322 G HN 1.157 nan 8.290 nan 0.000 0.522 1323 Q N 0.330 120.126 119.800 -0.006 0.000 2.235 1323 Q HA 0.514 4.864 4.340 0.017 0.000 0.250 1323 Q C -2.391 173.595 176.000 -0.023 0.000 0.909 1323 Q CA -2.134 53.667 55.803 -0.002 0.000 0.910 1323 Q CB 1.498 30.255 28.738 0.032 0.000 1.223 1323 Q HN 0.172 nan 8.270 nan 0.000 0.432 1324 P HA -0.029 nan 4.420 nan 0.000 0.271 1324 P C -0.517 176.768 177.300 -0.025 0.000 1.220 1324 P CA 0.098 63.174 63.100 -0.039 0.000 0.768 1324 P CB 0.790 32.477 31.700 -0.022 0.000 0.848 1325 L N 2.885 124.080 121.223 -0.047 0.000 2.356 1325 L HA 0.109 4.460 4.340 0.017 0.000 0.193 1325 L C 1.179 178.035 176.870 -0.025 0.000 1.087 1325 L CA 1.564 56.387 54.840 -0.029 0.000 0.817 1325 L CB -0.642 41.385 42.059 -0.054 0.000 1.035 1325 L HN 0.337 nan 8.230 nan 0.000 0.482 1326 T N -1.364 113.161 114.554 -0.048 0.000 2.889 1326 T HA 0.262 4.622 4.350 0.017 0.000 0.340 1326 T C 0.131 174.820 174.700 -0.019 0.000 1.145 1326 T CA -0.507 61.574 62.100 -0.032 0.000 0.986 1326 T CB 0.356 69.197 68.868 -0.045 0.000 1.461 1326 T HN 0.030 nan 8.240 nan 0.000 0.541 1327 R N -0.410 120.083 120.500 -0.011 0.000 2.480 1327 R HA 0.594 4.944 4.340 0.017 0.000 0.306 1327 R C 0.073 176.373 176.300 0.001 0.000 0.958 1327 R CA 0.158 56.257 56.100 -0.001 0.000 0.861 1327 R CB 1.349 31.651 30.300 0.005 0.000 1.171 1327 R HN 1.100 nan 8.270 nan 0.000 0.445 1328 G N 1.400 110.205 108.800 0.008 0.000 2.347 1328 G HA2 0.280 4.250 3.960 0.017 0.000 0.224 1328 G HA3 0.280 4.250 3.960 0.017 0.000 0.224 1328 G C -1.606 173.312 174.900 0.030 0.000 1.318 1328 G CA -0.329 44.780 45.100 0.015 0.000 1.016 1328 G HN 0.716 nan 8.290 nan 0.000 0.469 1329 A N -0.623 122.218 122.820 0.035 0.000 2.271 1329 A HA 0.842 5.173 4.320 0.017 0.000 0.288 1329 A C -0.050 177.557 177.584 0.038 0.000 1.094 1329 A CA -0.267 51.809 52.037 0.066 0.000 0.828 1329 A CB 0.328 19.369 19.000 0.067 0.000 1.091 1329 A HN 1.001 nan 8.150 nan 0.000 0.493 1330 I N 0.220 120.825 120.570 0.057 0.000 2.603 1330 I HA 0.255 4.435 4.170 0.017 0.000 0.300 1330 I C -0.775 175.330 176.117 -0.019 0.000 1.017 1330 I CA -0.735 60.534 61.300 -0.053 0.000 1.098 1330 I CB 2.049 39.907 38.000 -0.237 0.000 1.279 1330 I HN 0.659 nan 8.210 nan 0.000 0.437 1331 D N 6.887 127.258 120.400 -0.047 0.000 2.336 1331 D HA 0.205 4.856 4.640 0.017 0.000 0.249 1331 D C -1.865 174.425 176.300 -0.016 0.000 1.213 1331 D CA -2.070 51.913 54.000 -0.029 0.000 0.870 1331 D CB 1.472 42.250 40.800 -0.037 0.000 1.076 1331 D HN 0.118 nan 8.370 nan 0.000 0.483 1332 P HA -0.261 nan 4.420 nan 0.000 0.216 1332 P C 0.946 178.350 177.300 0.174 0.000 1.167 1332 P CA 1.622 64.796 63.100 0.123 0.000 0.933 1332 P CB 0.015 31.815 31.700 0.167 0.000 0.793 1333 H N -0.514 118.588 119.070 0.054 0.000 2.292 1333 H HA -0.193 4.373 4.556 0.017 0.000 0.292 1333 H C 2.044 177.383 175.328 0.019 0.000 1.100 1333 H CA 1.554 57.628 56.048 0.043 0.000 1.238 1333 H CB -1.252 28.536 29.762 0.043 0.000 1.355 1333 H HN 0.339 nan 8.280 nan 0.000 0.484 1334 Q N -0.198 119.684 119.800 0.136 0.000 1.857 1334 Q HA -0.169 4.182 4.340 0.017 0.000 0.237 1334 Q C 2.508 178.519 176.000 0.019 0.000 1.004 1334 Q CA 1.494 57.327 55.803 0.049 0.000 0.881 1334 Q CB -0.702 28.033 28.738 -0.005 0.000 0.946 1334 Q HN 0.292 nan 8.270 nan 0.000 0.421 1335 L N 0.921 122.121 121.223 -0.038 0.000 2.082 1335 L HA -0.294 4.057 4.340 0.017 0.000 0.223 1335 L C 2.263 179.128 176.870 -0.010 0.000 1.086 1335 L CA 1.790 56.585 54.840 -0.075 0.000 0.793 1335 L CB -0.756 41.185 42.059 -0.197 0.000 0.896 1335 L HN 0.372 nan 8.230 nan 0.000 0.441 1336 L N -0.100 121.145 121.223 0.036 0.000 1.951 1336 L HA -0.289 4.062 4.340 0.017 0.000 0.222 1336 L C 2.408 179.306 176.870 0.046 0.000 1.078 1336 L CA 2.377 57.254 54.840 0.062 0.000 0.778 1336 L CB -1.265 40.853 42.059 0.099 0.000 0.893 1336 L HN 0.353 nan 8.230 nan 0.000 0.436 1337 E N -0.570 119.658 120.200 0.046 0.000 2.284 1337 E HA -0.180 4.181 4.350 0.017 0.000 0.200 1337 E C 1.714 178.335 176.600 0.034 0.000 1.008 1337 E CA 1.388 57.810 56.400 0.037 0.000 0.829 1337 E CB -0.321 29.402 29.700 0.038 0.000 0.744 1337 E HN 0.704 nan 8.360 nan 0.000 0.491 1338 A N -0.432 122.407 122.820 0.031 0.000 1.997 1338 A HA 0.132 4.463 4.320 0.017 0.000 0.214 1338 A C 1.970 179.571 177.584 0.030 0.000 1.458 1338 A CA 0.808 52.865 52.037 0.032 0.000 0.692 1338 A CB -0.349 18.668 19.000 0.028 0.000 1.145 1338 A HN 0.079 nan 8.150 nan 0.000 0.515 1339 K N -0.929 119.483 120.400 0.019 0.000 2.057 1339 K HA 0.216 4.547 4.320 0.017 0.000 0.207 1339 K C 0.748 177.367 176.600 0.031 0.000 1.049 1339 K CA 1.362 57.663 56.287 0.024 0.000 0.931 1339 K CB -0.251 32.257 32.500 0.014 0.000 0.714 1339 K HN 1.066 nan 8.250 nan 0.000 0.440 1340 G N -2.420 106.401 108.800 0.035 0.000 2.347 1340 G HA2 -0.082 3.889 3.960 0.017 0.000 0.477 1340 G HA3 -0.082 3.889 3.960 0.017 0.000 0.477 1340 G C -2.512 172.420 174.900 0.054 0.000 1.349 1340 G CA -0.580 44.545 45.100 0.041 0.000 1.000 1340 G HN -0.108 nan 8.290 nan 0.000 0.605 1341 P HA -0.023 nan 4.420 nan 0.000 0.213 1341 P C 1.267 178.608 177.300 0.069 0.000 1.170 1341 P CA 1.922 65.064 63.100 0.070 0.000 0.898 1341 P CB -0.007 31.738 31.700 0.074 0.000 0.787 1342 E N -0.897 119.337 120.200 0.056 0.000 2.527 1342 E HA -0.002 4.359 4.350 0.017 0.000 0.204 1342 E C 1.469 178.105 176.600 0.061 0.000 1.132 1342 E CA 0.781 57.212 56.400 0.051 0.000 0.905 1342 E CB -0.811 28.908 29.700 0.031 0.000 0.875 1342 E HN 0.262 nan 8.360 nan 0.000 0.548 1343 A N 0.031 122.893 122.820 0.071 0.000 1.983 1343 A HA 0.027 4.357 4.320 0.017 0.000 0.207 1343 A C 2.200 179.857 177.584 0.122 0.000 1.412 1343 A CA 0.491 52.576 52.037 0.080 0.000 0.750 1343 A CB -0.459 18.574 19.000 0.056 0.000 1.047 1343 A HN 0.211 nan 8.150 nan 0.000 0.504 1344 V N -0.555 119.434 119.914 0.126 0.000 2.594 1344 V HA -0.253 3.877 4.120 0.017 0.000 0.253 1344 V C 1.829 178.040 176.094 0.194 0.000 1.069 1344 V CA 2.253 64.667 62.300 0.191 0.000 1.082 1344 V CB -1.396 30.528 31.823 0.168 0.000 0.680 1344 V HN 0.602 nan 8.190 nan 0.000 0.469 1345 E N 1.055 121.336 120.200 0.134 0.000 2.005 1345 E HA -0.286 4.075 4.350 0.017 0.000 0.198 1345 E C 2.382 179.037 176.600 0.091 0.000 1.010 1345 E CA 1.786 58.248 56.400 0.103 0.000 0.825 1345 E CB -0.345 29.402 29.700 0.078 0.000 0.769 1345 E HN 0.451 nan 8.360 nan 0.000 0.456 1346 R N 0.073 120.629 120.500 0.092 0.000 2.127 1346 R HA -0.199 4.152 4.340 0.017 0.000 0.238 1346 R C 2.187 178.538 176.300 0.086 0.000 1.134 1346 R CA 1.264 57.410 56.100 0.076 0.000 0.975 1346 R CB -0.537 29.812 30.300 0.082 0.000 0.865 1346 R HN 0.295 nan 8.270 nan 0.000 0.447 1347 Y N 0.201 120.513 120.300 0.021 0.000 2.070 1347 Y HA -0.195 4.365 4.550 0.018 0.000 0.279 1347 Y C 1.625 177.524 175.900 -0.001 0.000 1.134 1347 Y CA 1.742 59.850 58.100 0.014 0.000 1.113 1347 Y CB -0.708 37.765 38.460 0.022 0.000 0.981 1347 Y HN 0.007 nan 8.280 nan 0.000 0.487 1348 L N -0.444 120.693 121.223 -0.144 0.000 2.089 1348 L HA -0.280 4.071 4.340 0.017 0.000 0.213 1348 L C 2.457 179.175 176.870 -0.255 0.000 1.079 1348 L CA 1.627 56.328 54.840 -0.231 0.000 0.758 1348 L CB -1.266 40.775 42.059 -0.029 0.000 0.891 1348 L HN 0.203 nan 8.230 nan 0.000 0.433 1349 V N -1.270 118.558 119.914 -0.143 0.000 2.270 1349 V HA -0.256 3.875 4.120 0.017 0.000 0.245 1349 V C 2.482 178.493 176.094 -0.139 0.000 1.043 1349 V CA 1.719 63.952 62.300 -0.111 0.000 1.014 1349 V CB -0.483 31.316 31.823 -0.039 0.000 0.645 1349 V HN 0.346 nan 8.190 nan 0.000 0.447 1350 E N -0.025 120.092 120.200 -0.138 0.000 2.047 1350 E HA -0.221 4.140 4.350 0.017 0.000 0.191 1350 E C 2.189 178.689 176.600 -0.166 0.000 0.987 1350 E CA 1.308 57.639 56.400 -0.114 0.000 0.799 1350 E CB -0.207 29.458 29.700 -0.059 0.000 0.752 1350 E HN 0.584 nan 8.360 nan 0.000 0.449 1351 E N 0.449 120.459 120.200 -0.317 0.000 2.077 1351 E HA -0.155 4.206 4.350 0.017 0.000 0.193 1351 E C 1.811 178.294 176.600 -0.196 0.000 0.989 1351 E CA 1.222 57.437 56.400 -0.309 0.000 0.800 1351 E CB -0.264 29.091 29.700 -0.574 0.000 0.746 1351 E HN 0.316 nan 8.360 nan 0.000 0.452 1352 I N 0.405 120.840 120.570 -0.225 0.000 2.142 1352 I HA -0.291 3.889 4.170 0.017 0.000 0.240 1352 I C 2.478 178.595 176.117 -0.001 0.000 1.078 1352 I CA 1.242 62.454 61.300 -0.147 0.000 1.343 1352 I CB -0.450 37.365 38.000 -0.308 0.000 1.046 1352 I HN 0.177 nan 8.210 nan 0.000 0.405 1353 Q N 0.905 120.667 119.800 -0.065 0.000 2.268 1353 Q HA -0.241 4.110 4.340 0.017 0.000 0.210 1353 Q C 2.120 178.143 176.000 0.039 0.000 0.988 1353 Q CA 1.379 57.175 55.803 -0.012 0.000 0.883 1353 Q CB -0.256 28.452 28.738 -0.050 0.000 0.911 1353 Q HN 0.470 nan 8.270 nan 0.000 0.430 1354 K N -0.193 120.210 120.400 0.004 0.000 2.026 1354 K HA -0.082 4.248 4.320 0.017 0.000 0.208 1354 K C 2.229 178.844 176.600 0.026 0.000 1.048 1354 K CA 0.824 57.114 56.287 0.005 0.000 0.929 1354 K CB -0.631 31.856 32.500 -0.021 0.000 0.713 1354 K HN 0.087 nan 8.250 nan 0.000 0.439 1355 V N 0.797 120.735 119.914 0.040 0.000 2.223 1355 V HA -0.273 3.857 4.120 0.017 0.000 0.244 1355 V C 2.255 178.343 176.094 -0.010 0.000 1.045 1355 V CA 1.796 64.095 62.300 -0.002 0.000 1.000 1355 V CB -0.730 31.073 31.823 -0.032 0.000 0.635 1355 V HN 0.147 nan 8.190 nan 0.000 0.445 1356 Y N 0.654 120.934 120.300 -0.033 0.000 2.151 1356 Y HA -0.248 4.313 4.550 0.017 0.000 0.284 1356 Y C 2.667 178.560 175.900 -0.011 0.000 1.166 1356 Y CA 1.864 59.956 58.100 -0.013 0.000 1.163 1356 Y CB -0.625 37.837 38.460 0.002 0.000 0.974 1356 Y HN 0.152 nan 8.280 nan 0.000 0.511 1357 R N -0.227 120.354 120.500 0.134 0.000 2.070 1357 R HA -0.124 4.226 4.340 0.017 0.000 0.232 1357 R C 2.572 178.889 176.300 0.029 0.000 1.138 1357 R CA 1.209 57.348 56.100 0.065 0.000 0.936 1357 R CB -0.920 29.404 30.300 0.039 0.000 0.839 1357 R HN 0.294 nan 8.270 nan 0.000 0.429 1358 A N 1.038 123.866 122.820 0.014 0.000 2.104 1358 A HA -0.239 4.091 4.320 0.017 0.000 0.223 1358 A C 1.643 179.218 177.584 -0.016 0.000 1.164 1358 A CA 1.614 53.648 52.037 -0.006 0.000 0.659 1358 A CB -0.315 18.675 19.000 -0.017 0.000 0.808 1358 A HN 0.391 nan 8.150 nan 0.000 0.465 1359 Q N -2.469 117.318 119.800 -0.021 0.000 2.198 1359 Q HA 0.305 4.655 4.340 0.017 0.000 0.209 1359 Q C 1.251 177.247 176.000 -0.007 0.000 0.848 1359 Q CA 0.485 56.268 55.803 -0.033 0.000 0.974 1359 Q CB 0.704 29.390 28.738 -0.088 0.000 1.115 1359 Q HN 0.890 nan 8.270 nan 0.000 0.494 1360 G N 0.614 109.422 108.800 0.014 0.000 2.358 1360 G HA2 -0.300 3.670 3.960 0.017 0.000 0.224 1360 G HA3 -0.300 3.670 3.960 0.017 0.000 0.224 1360 G C 0.510 175.438 174.900 0.047 0.000 1.073 1360 G CA 0.097 45.211 45.100 0.024 0.000 0.635 1360 G HN 0.233 nan 8.290 nan 0.000 0.509 1361 V N 1.784 121.739 119.914 0.069 0.000 3.098 1361 V HA 0.263 4.393 4.120 0.017 0.000 0.298 1361 V C 0.690 176.847 176.094 0.104 0.000 1.200 1361 V CA 1.229 63.595 62.300 0.111 0.000 1.321 1361 V CB 0.998 32.949 31.823 0.214 0.000 0.947 1361 V HN 0.394 nan 8.190 nan 0.000 0.513 1362 K N 3.775 124.232 120.400 0.095 0.000 3.206 1362 K HA 0.328 4.659 4.320 0.017 0.000 0.180 1362 K C -0.796 175.856 176.600 0.087 0.000 1.088 1362 K CA -0.421 55.912 56.287 0.077 0.000 0.872 1362 K CB 0.653 33.194 32.500 0.068 0.000 0.976 1362 K HN 0.591 nan 8.250 nan 0.000 0.564 1363 L N -1.353 119.922 121.223 0.088 0.000 2.350 1363 L HA 0.465 4.816 4.340 0.017 0.000 0.275 1363 L C 0.403 177.339 176.870 0.109 0.000 1.099 1363 L CA -0.245 54.662 54.840 0.112 0.000 0.808 1363 L CB 0.540 42.646 42.059 0.078 0.000 1.149 1363 L HN 0.154 nan 8.230 nan 0.000 0.442 1364 H N 2.439 121.552 119.070 0.072 0.000 2.848 1364 H HA 0.056 4.623 4.556 0.017 0.000 0.341 1364 H C 0.179 175.450 175.328 -0.096 0.000 1.060 1364 H CA 0.550 56.574 56.048 -0.041 0.000 1.444 1364 H CB 0.973 30.644 29.762 -0.150 0.000 1.446 1364 H HN 0.860 nan 8.280 nan 0.000 0.583 1365 D N 4.345 124.867 120.400 0.204 0.000 2.218 1365 D HA -0.136 4.514 4.640 0.017 0.000 0.204 1365 D C 1.600 177.935 176.300 0.059 0.000 0.976 1365 D CA 0.877 54.940 54.000 0.104 0.000 0.853 1365 D CB 0.459 41.269 40.800 0.018 0.000 0.939 1365 D HN 0.575 nan 8.370 nan 0.000 0.481 1366 K N 0.346 120.736 120.400 -0.016 0.000 2.059 1366 K HA -0.209 4.121 4.320 0.017 0.000 0.212 1366 K C 2.063 178.504 176.600 -0.266 0.000 1.050 1366 K CA 1.174 57.215 56.287 -0.410 0.000 0.927 1366 K CB -0.283 31.611 32.500 -1.011 0.000 0.714 1366 K HN 0.311 nan 8.250 nan 0.000 0.447 1367 H N 0.696 119.727 119.070 -0.065 0.000 2.290 1367 H HA -0.075 4.491 4.556 0.017 0.000 0.298 1367 H C 2.107 177.455 175.328 0.033 0.000 1.087 1367 H CA 1.352 57.401 56.048 0.002 0.000 1.291 1367 H CB -0.441 29.328 29.762 0.012 0.000 1.369 1367 H HN 0.193 nan 8.280 nan 0.000 0.492 1368 I N 1.062 121.722 120.570 0.151 0.000 3.334 1368 I HA -0.112 4.068 4.170 0.017 0.000 0.282 1368 I C 1.608 177.792 176.117 0.113 0.000 1.313 1368 I CA 0.720 62.108 61.300 0.147 0.000 1.396 1368 I CB -0.166 37.869 38.000 0.058 0.000 1.054 1368 I HN 0.280 nan 8.210 nan 0.000 0.495 1369 E N 0.602 120.840 120.200 0.063 0.000 2.201 1369 E HA -0.016 4.344 4.350 0.017 0.000 0.193 1369 E C 1.996 178.632 176.600 0.060 0.000 0.957 1369 E CA 0.295 56.719 56.400 0.041 0.000 0.858 1369 E CB 0.447 30.139 29.700 -0.014 0.000 0.816 1369 E HN 0.266 nan 8.360 nan 0.000 0.475 1370 I N 1.393 122.008 120.570 0.074 0.000 2.062 1370 I HA -0.266 3.915 4.170 0.017 0.000 0.216 1370 I C 2.463 178.638 176.117 0.096 0.000 1.036 1370 I CA 0.980 62.340 61.300 0.101 0.000 1.339 1370 I CB -1.201 36.896 38.000 0.162 0.000 1.093 1370 I HN -0.039 nan 8.210 nan 0.000 0.389 1371 V N 0.881 120.854 119.914 0.098 0.000 2.352 1371 V HA -0.361 3.770 4.120 0.017 0.000 0.266 1371 V C 2.577 178.743 176.094 0.121 0.000 1.117 1371 V CA 1.954 64.297 62.300 0.073 0.000 1.109 1371 V CB -0.959 30.866 31.823 0.004 0.000 0.705 1371 V HN 0.315 nan 8.190 nan 0.000 0.455 1372 V N 0.715 120.728 119.914 0.166 0.000 2.220 1372 V HA -0.315 3.815 4.120 0.017 0.000 0.246 1372 V C 2.636 178.804 176.094 0.123 0.000 1.049 1372 V CA 2.655 65.059 62.300 0.175 0.000 1.003 1372 V CB -0.858 31.053 31.823 0.146 0.000 0.634 1372 V HN 0.773 nan 8.190 nan 0.000 0.444 1373 R N 0.387 120.937 120.500 0.083 0.000 2.261 1373 R HA -0.221 4.130 4.340 0.017 0.000 0.236 1373 R C 1.656 177.978 176.300 0.037 0.000 1.141 1373 R CA 1.580 57.709 56.100 0.048 0.000 1.001 1373 R CB -0.379 29.934 30.300 0.022 0.000 0.866 1373 R HN 0.459 nan 8.270 nan 0.000 0.468 1374 Q N 0.081 119.921 119.800 0.065 0.000 2.403 1374 Q HA 0.111 4.461 4.340 0.017 0.000 0.203 1374 Q C 1.402 177.490 176.000 0.147 0.000 0.932 1374 Q CA 0.699 56.545 55.803 0.072 0.000 0.945 1374 Q CB 0.302 29.087 28.738 0.078 0.000 1.045 1374 Q HN 0.531 nan 8.270 nan 0.000 0.511 1375 M N -1.412 118.282 119.600 0.157 0.000 2.461 1375 M HA 0.177 4.668 4.480 0.017 0.000 0.255 1375 M C 1.585 178.012 176.300 0.212 0.000 1.137 1375 M CA 0.456 55.880 55.300 0.208 0.000 1.086 1375 M CB 0.445 33.167 32.600 0.203 0.000 1.356 1375 M HN 0.102 nan 8.290 nan 0.000 0.487 1376 M N -0.030 119.653 119.600 0.137 0.000 2.491 1376 M HA 0.066 4.556 4.480 0.017 0.000 0.259 1376 M C 1.113 177.417 176.300 0.008 0.000 1.163 1376 M CA 0.435 55.794 55.300 0.099 0.000 1.109 1376 M CB -0.023 32.619 32.600 0.070 0.000 1.353 1376 M HN 0.115 nan 8.290 nan 0.000 0.500 1377 K N 0.533 120.861 120.400 -0.120 0.000 3.187 1377 K HA -0.071 4.260 4.320 0.017 0.000 0.274 1377 K C -1.278 174.868 176.600 -0.757 0.000 0.790 1377 K CA 0.740 56.798 56.287 -0.382 0.000 1.041 1377 K CB -0.808 31.444 32.500 -0.413 0.000 0.976 1377 K HN 0.215 nan 8.250 nan 0.000 0.438 1378 Y N -0.283 120.013 120.300 -0.006 0.000 2.396 1378 Y HA 0.305 4.865 4.550 0.017 0.000 0.332 1378 Y C -0.745 175.161 175.900 0.010 0.000 1.034 1378 Y CA -1.329 56.773 58.100 0.002 0.000 1.057 1378 Y CB 2.320 40.790 38.460 0.017 0.000 1.220 1378 Y HN 0.020 nan 8.280 nan 0.000 0.440 1379 V N -0.112 119.891 119.914 0.148 0.000 2.656 1379 V HA 0.591 4.721 4.120 0.017 0.000 0.307 1379 V C -0.488 175.727 176.094 0.202 0.000 1.051 1379 V CA -1.105 61.272 62.300 0.129 0.000 0.893 1379 V CB 1.800 33.591 31.823 -0.052 0.000 0.999 1379 V HN 0.817 nan 8.190 nan 0.000 0.426 1380 E N 2.528 122.839 120.200 0.185 0.000 2.345 1380 E HA 0.629 4.989 4.350 0.017 0.000 0.259 1380 E C -1.197 175.510 176.600 0.178 0.000 1.117 1380 E CA -0.569 55.929 56.400 0.164 0.000 0.913 1380 E CB 1.900 31.663 29.700 0.105 0.000 1.057 1380 E HN 0.671 nan 8.360 nan 0.000 0.432 1381 V N 1.959 121.965 119.914 0.153 0.000 2.715 1381 V HA 0.310 4.440 4.120 0.017 0.000 0.310 1381 V C 0.575 176.698 176.094 0.048 0.000 1.054 1381 V CA 0.088 62.454 62.300 0.110 0.000 0.928 1381 V CB 1.699 33.647 31.823 0.209 0.000 1.007 1381 V HN 1.058 nan 8.190 nan 0.000 0.437 1382 T N -1.899 112.651 114.554 -0.007 0.000 3.434 1382 T HA 0.160 4.521 4.350 0.017 0.000 0.279 1382 T C 0.230 174.907 174.700 -0.038 0.000 0.955 1382 T CA 0.029 62.116 62.100 -0.021 0.000 1.048 1382 T CB 0.270 69.115 68.868 -0.038 0.000 1.186 1382 T HN 0.520 nan 8.240 nan 0.000 0.485 1383 D N 3.748 124.102 120.400 -0.076 0.000 2.485 1383 D HA 0.398 5.049 4.640 0.017 0.000 0.229 1383 D C -2.456 173.803 176.300 -0.068 0.000 1.101 1383 D CA -1.858 52.099 54.000 -0.072 0.000 0.906 1383 D CB 1.645 42.386 40.800 -0.098 0.000 1.019 1383 D HN 0.099 nan 8.370 nan 0.000 0.516 1384 P HA 0.234 nan 4.420 nan 0.000 0.302 1384 P C 0.637 177.976 177.300 0.065 0.000 1.301 1384 P CA 0.380 63.512 63.100 0.053 0.000 0.770 1384 P CB 0.666 32.407 31.700 0.067 0.000 1.458 1385 G N -2.337 106.530 108.800 0.112 0.000 4.338 1385 G HA2 -0.112 3.859 3.960 0.017 0.000 0.195 1385 G HA3 -0.112 3.859 3.960 0.017 0.000 0.195 1385 G C 0.800 175.772 174.900 0.121 0.000 1.164 1385 G CA 0.596 45.761 45.100 0.109 0.000 0.872 1385 G HN 0.550 nan 8.290 nan 0.000 0.301 1386 D N 0.896 121.399 120.400 0.171 0.000 2.454 1386 D HA 0.234 4.885 4.640 0.017 0.000 0.247 1386 D C 0.431 176.794 176.300 0.106 0.000 1.143 1386 D CA 1.033 55.109 54.000 0.125 0.000 0.972 1386 D CB 0.502 41.376 40.800 0.123 0.000 1.070 1386 D HN 0.193 nan 8.370 nan 0.000 0.433 1387 S N 0.443 116.221 115.700 0.131 0.000 2.472 1387 S HA 0.475 4.955 4.470 0.017 0.000 0.303 1387 S C -0.375 174.302 174.600 0.128 0.000 1.099 1387 S CA -0.634 57.626 58.200 0.100 0.000 1.077 1387 S CB 2.127 65.365 63.200 0.062 0.000 1.031 1387 S HN 0.143 nan 8.310 nan 0.000 0.487 1388 R N 1.713 122.263 120.500 0.083 0.000 2.651 1388 R HA -0.082 4.268 4.340 0.017 0.000 0.269 1388 R C 1.349 177.705 176.300 0.094 0.000 0.979 1388 R CA 0.214 56.356 56.100 0.070 0.000 1.096 1388 R CB -0.609 29.714 30.300 0.038 0.000 0.927 1388 R HN 0.669 nan 8.270 nan 0.000 0.430 1389 L N 0.556 121.820 121.223 0.069 0.000 2.260 1389 L HA -0.222 4.129 4.340 0.017 0.000 0.248 1389 L C 0.615 177.540 176.870 0.091 0.000 1.063 1389 L CA 0.745 55.626 54.840 0.069 0.000 0.888 1389 L CB -0.936 41.141 42.059 0.031 0.000 0.937 1389 L HN 0.470 nan 8.230 nan 0.000 0.417 1390 L N 1.587 122.848 121.223 0.063 0.000 2.937 1390 L HA -0.097 4.254 4.340 0.017 0.000 0.294 1390 L C 1.342 178.258 176.870 0.076 0.000 1.059 1390 L CA 0.376 55.255 54.840 0.065 0.000 1.117 1390 L CB -0.658 41.424 42.059 0.037 0.000 1.526 1390 L HN 0.545 nan 8.230 nan 0.000 0.437 1391 E N 1.821 122.092 120.200 0.119 0.000 2.414 1391 E HA 0.118 4.478 4.350 0.017 0.000 0.208 1391 E C 0.950 177.616 176.600 0.110 0.000 0.820 1391 E CA 0.640 57.108 56.400 0.114 0.000 1.143 1391 E CB 0.895 30.693 29.700 0.163 0.000 1.150 1391 E HN 0.708 nan 8.360 nan 0.000 0.540 1392 G N 3.215 112.110 108.800 0.158 0.000 3.168 1392 G HA2 -0.215 3.756 3.960 0.017 0.000 0.268 1392 G HA3 -0.215 3.756 3.960 0.017 0.000 0.268 1392 G C -0.256 174.745 174.900 0.168 0.000 0.800 1392 G CA 0.335 45.527 45.100 0.154 0.000 0.765 1392 G HN 0.014 nan 8.290 nan 0.000 0.368 1393 Q N 0.193 120.126 119.800 0.223 0.000 2.511 1393 Q HA 0.533 4.883 4.340 0.017 0.000 0.289 1393 Q C 0.296 176.354 176.000 0.098 0.000 1.021 1393 Q CA -1.018 54.859 55.803 0.123 0.000 0.785 1393 Q CB 2.453 31.143 28.738 -0.081 0.000 1.472 1393 Q HN 0.654 nan 8.270 nan 0.000 0.411 1394 V N 2.724 122.620 119.914 -0.030 0.000 2.644 1394 V HA -0.145 3.985 4.120 0.017 0.000 0.305 1394 V C 1.992 177.950 176.094 -0.226 0.000 1.053 1394 V CA 0.546 62.724 62.300 -0.203 0.000 1.186 1394 V CB -0.048 31.651 31.823 -0.206 0.000 0.895 1394 V HN 0.720 nan 8.190 nan 0.000 0.490 1395 L N 3.594 124.639 121.223 -0.297 0.000 1.978 1395 L HA -0.159 4.191 4.340 0.017 0.000 0.218 1395 L C 2.329 178.984 176.870 -0.357 0.000 1.075 1395 L CA 2.292 56.923 54.840 -0.348 0.000 0.767 1395 L CB -0.501 41.370 42.059 -0.312 0.000 0.890 1395 L HN 0.893 nan 8.230 nan 0.000 0.434 1396 E N -0.099 119.906 120.200 -0.326 0.000 2.152 1396 E HA -0.206 4.155 4.350 0.017 0.000 0.192 1396 E C 2.069 178.539 176.600 -0.217 0.000 0.983 1396 E CA 0.657 56.896 56.400 -0.268 0.000 0.818 1396 E CB 0.121 29.657 29.700 -0.272 0.000 0.758 1396 E HN 0.514 nan 8.360 nan 0.000 0.467 1397 K N -0.528 119.719 120.400 -0.255 0.000 2.173 1397 K HA -0.193 4.138 4.320 0.017 0.000 0.207 1397 K C 1.791 178.278 176.600 -0.188 0.000 1.046 1397 K CA 1.501 57.648 56.287 -0.232 0.000 0.929 1397 K CB -0.239 32.095 32.500 -0.277 0.000 0.720 1397 K HN 0.305 nan 8.250 nan 0.000 0.453 1398 W N 1.056 122.210 121.300 -0.243 0.000 2.584 1398 W HA -0.087 4.583 4.660 0.017 0.000 0.264 1398 W C 1.446 177.848 176.519 -0.194 0.000 1.264 1398 W CA -0.131 57.077 57.345 -0.229 0.000 1.306 1398 W CB 0.322 29.538 29.460 -0.406 0.000 1.110 1398 W HN 0.033 nan 8.180 nan 0.000 0.606 1399 D N -0.265 120.130 120.400 -0.008 0.000 2.348 1399 D HA -0.103 4.547 4.640 0.017 0.000 0.216 1399 D C 2.045 178.384 176.300 0.065 0.000 0.970 1399 D CA 0.870 54.883 54.000 0.022 0.000 0.889 1399 D CB 0.103 40.872 40.800 -0.051 0.000 0.912 1399 D HN 0.067 nan 8.370 nan 0.000 0.524 1400 V N 0.885 120.827 119.914 0.047 0.000 2.300 1400 V HA -0.126 4.004 4.120 0.017 0.000 0.241 1400 V C 2.318 178.463 176.094 0.085 0.000 1.034 1400 V CA 1.145 63.465 62.300 0.034 0.000 1.021 1400 V CB -0.267 31.540 31.823 -0.026 0.000 0.662 1400 V HN 0.094 nan 8.190 nan 0.000 0.458 1401 E N 0.793 121.072 120.200 0.133 0.000 2.017 1401 E HA -0.208 4.153 4.350 0.017 0.000 0.193 1401 E C 2.355 179.096 176.600 0.236 0.000 0.997 1401 E CA 1.382 57.895 56.400 0.188 0.000 0.804 1401 E CB -0.422 29.435 29.700 0.262 0.000 0.757 1401 E HN 0.521 nan 8.360 nan 0.000 0.448 1402 A N 1.733 124.750 122.820 0.328 0.000 1.903 1402 A HA -0.217 4.114 4.320 0.017 0.000 0.219 1402 A C 2.249 179.928 177.584 0.158 0.000 1.191 1402 A CA 1.353 53.538 52.037 0.247 0.000 0.638 1402 A CB -0.846 18.343 19.000 0.315 0.000 0.823 1402 A HN 0.177 nan 8.150 nan 0.000 0.451 1403 L N -1.087 120.220 121.223 0.139 0.000 2.131 1403 L HA -0.157 4.193 4.340 0.017 0.000 0.210 1403 L C 1.757 178.670 176.870 0.071 0.000 1.092 1403 L CA 1.386 56.280 54.840 0.091 0.000 0.759 1403 L CB -0.388 41.714 42.059 0.071 0.000 0.903 1403 L HN 0.391 nan 8.230 nan 0.000 0.435 1404 N N -0.805 117.941 118.700 0.076 0.000 2.336 1404 N HA -0.049 4.702 4.740 0.017 0.000 0.189 1404 N C 1.327 176.874 175.510 0.062 0.000 1.113 1404 N CA 0.363 53.449 53.050 0.059 0.000 0.858 1404 N CB 0.383 38.901 38.487 0.052 0.000 0.970 1404 N HN 0.304 nan 8.380 nan 0.000 0.471 1405 E N -0.694 119.552 120.200 0.077 0.000 2.251 1405 E HA 0.153 4.513 4.350 0.017 0.000 0.194 1405 E C 1.513 178.146 176.600 0.055 0.000 0.964 1405 E CA 0.190 56.633 56.400 0.072 0.000 0.868 1405 E CB 0.490 30.248 29.700 0.096 0.000 0.828 1405 E HN 0.087 nan 8.360 nan 0.000 0.481 1406 R N 0.169 120.701 120.500 0.053 0.000 2.335 1406 R HA 0.091 4.441 4.340 0.017 0.000 0.210 1406 R C 1.188 177.508 176.300 0.032 0.000 0.892 1406 R CA 0.186 56.308 56.100 0.037 0.000 1.048 1406 R CB 0.453 30.773 30.300 0.033 0.000 1.067 1406 R HN 0.067 nan 8.270 nan 0.000 0.524 1407 L N -0.374 120.871 121.223 0.037 0.000 2.347 1407 L HA 0.199 4.550 4.340 0.017 0.000 0.196 1407 L C 1.791 178.677 176.870 0.027 0.000 1.072 1407 L CA 1.146 56.004 54.840 0.031 0.000 0.817 1407 L CB -0.084 41.995 42.059 0.033 0.000 1.029 1407 L HN 0.023 nan 8.230 nan 0.000 0.478 1408 I N -1.126 119.462 120.570 0.031 0.000 3.649 1408 I HA 0.173 4.354 4.170 0.017 0.000 0.234 1408 I C 1.091 177.224 176.117 0.027 0.000 1.053 1408 I CA 0.189 61.505 61.300 0.027 0.000 1.538 1408 I CB -0.491 37.525 38.000 0.027 0.000 1.445 1408 I HN -0.046 nan 8.210 nan 0.000 0.464 1409 A N 2.659 125.498 122.820 0.032 0.000 2.655 1409 A HA 0.172 4.503 4.320 0.017 0.000 0.297 1409 A C 0.446 178.050 177.584 0.033 0.000 1.461 1409 A CA -0.254 51.802 52.037 0.032 0.000 1.146 1409 A CB -1.266 17.756 19.000 0.036 0.000 1.108 1409 A HN 0.520 nan 8.150 nan 0.000 0.550 1410 E N 2.379 122.595 120.200 0.027 0.000 3.140 1410 E HA 0.268 4.628 4.350 0.017 0.000 0.352 1410 E C 0.848 177.463 176.600 0.026 0.000 1.493 1410 E CA -0.055 56.360 56.400 0.025 0.000 1.812 1410 E CB -0.174 29.538 29.700 0.019 0.000 0.945 1410 E HN 1.669 nan 8.360 nan 0.000 0.600 1411 G N 0.794 109.607 108.800 0.021 0.000 2.381 1411 G HA2 -0.353 3.618 3.960 0.017 0.000 0.281 1411 G HA3 -0.353 3.618 3.960 0.017 0.000 0.281 1411 G C -0.209 174.705 174.900 0.024 0.000 0.984 1411 G CA 0.499 45.611 45.100 0.020 0.000 1.339 1411 G HN 0.744 nan 8.290 nan 0.000 0.485 1412 K N -0.046 120.365 120.400 0.019 0.000 2.489 1412 K HA 0.351 4.682 4.320 0.017 0.000 0.278 1412 K C 0.024 176.634 176.600 0.018 0.000 1.000 1412 K CA 0.580 56.879 56.287 0.020 0.000 1.012 1412 K CB 0.608 33.113 32.500 0.010 0.000 0.903 1412 K HN 0.095 nan 8.250 nan 0.000 0.485 1413 T N 4.668 119.239 114.554 0.028 0.000 3.438 1413 T HA 0.203 4.564 4.350 0.017 0.000 0.244 1413 T C -2.532 172.168 174.700 0.001 0.000 1.269 1413 T CA -1.344 60.770 62.100 0.023 0.000 1.371 1413 T CB 0.491 69.392 68.868 0.056 0.000 1.002 1413 T HN 0.540 nan 8.240 nan 0.000 0.637 1414 P HA -0.015 nan 4.420 nan 0.000 0.235 1414 P C -0.035 177.181 177.300 -0.140 0.000 1.080 1414 P CA 0.162 63.215 63.100 -0.078 0.000 1.096 1414 P CB -0.338 31.304 31.700 -0.096 0.000 1.085 1415 V N 3.182 123.002 119.914 -0.158 0.000 2.425 1415 V HA 0.123 4.254 4.120 0.017 0.000 0.276 1415 V C 1.113 176.986 176.094 -0.368 0.000 1.017 1415 V CA -0.062 62.042 62.300 -0.327 0.000 1.062 1415 V CB -0.314 31.086 31.823 -0.706 0.000 0.997 1415 V HN 0.490 nan 8.190 nan 0.000 0.476 1416 A N 7.518 130.136 122.820 -0.336 0.000 2.415 1416 A HA 0.571 4.902 4.320 0.017 0.000 0.309 1416 A C -0.370 177.032 177.584 -0.304 0.000 1.356 1416 A CA -0.614 51.187 52.037 -0.392 0.000 0.998 1416 A CB -0.157 18.682 19.000 -0.268 0.000 1.145 1416 A HN 0.986 nan 8.150 nan 0.000 0.545 1417 W N 2.167 123.299 121.300 -0.280 0.000 2.576 1417 W HA 0.770 5.440 4.660 0.017 0.000 0.360 1417 W C -0.561 175.887 176.519 -0.118 0.000 1.109 1417 W CA -1.234 55.971 57.345 -0.233 0.000 1.237 1417 W CB 0.967 30.247 29.460 -0.300 0.000 1.369 1417 W HN 0.399 nan 8.180 nan 0.000 0.609 1418 K N 1.919 122.479 120.400 0.267 0.000 2.270 1418 K HA 0.392 4.723 4.320 0.017 0.000 0.255 1418 K C -2.567 174.182 176.600 0.249 0.000 0.936 1418 K CA -1.818 54.577 56.287 0.180 0.000 0.809 1418 K CB 2.111 34.656 32.500 0.075 0.000 1.131 1418 K HN 0.107 nan 8.250 nan 0.000 0.427 1419 P HA 0.076 nan 4.420 nan 0.000 0.271 1419 P C -1.215 176.147 177.300 0.103 0.000 1.226 1419 P CA -0.325 62.875 63.100 0.166 0.000 0.765 1419 P CB 0.527 32.312 31.700 0.141 0.000 0.835 1420 L N 4.856 126.138 121.223 0.099 0.000 2.346 1420 L HA 0.561 4.912 4.340 0.017 0.000 0.274 1420 L C -1.155 175.760 176.870 0.075 0.000 1.007 1420 L CA -0.716 54.161 54.840 0.063 0.000 0.818 1420 L CB 1.780 43.888 42.059 0.082 0.000 1.284 1420 L HN 0.146 nan 8.230 nan 0.000 0.424 1421 L N 5.987 127.223 121.223 0.023 0.000 2.301 1421 L HA 0.561 4.911 4.340 0.017 0.000 0.278 1421 L C -0.606 176.341 176.870 0.128 0.000 1.022 1421 L CA -0.143 54.755 54.840 0.097 0.000 0.854 1421 L CB 0.669 42.812 42.059 0.140 0.000 1.226 1421 L HN 0.658 nan 8.230 nan 0.000 0.429 1422 M N 2.620 122.316 119.600 0.159 0.000 2.364 1422 M HA 0.688 5.179 4.480 0.017 0.000 0.334 1422 M C 0.695 177.099 176.300 0.173 0.000 1.107 1422 M CA -0.694 54.695 55.300 0.149 0.000 0.988 1422 M CB 1.203 33.837 32.600 0.057 0.000 1.673 1422 M HN 0.515 nan 8.290 nan 0.000 0.441 1423 G N 1.326 110.230 108.800 0.173 0.000 2.818 1423 G HA2 0.135 4.106 3.960 0.017 0.000 0.235 1423 G HA3 0.135 4.106 3.960 0.017 0.000 0.235 1423 G C 0.691 175.683 174.900 0.153 0.000 1.244 1423 G CA -0.229 44.972 45.100 0.168 0.000 0.853 1423 G HN 0.748 nan 8.290 nan 0.000 0.596 1424 V N 0.964 120.979 119.914 0.168 0.000 2.261 1424 V HA -0.161 3.969 4.120 0.017 0.000 0.246 1424 V C 2.991 179.149 176.094 0.106 0.000 1.047 1424 V CA 3.020 65.401 62.300 0.135 0.000 1.015 1424 V CB -0.881 31.000 31.823 0.098 0.000 0.642 1424 V HN 0.941 nan 8.190 nan 0.000 0.446 1425 T N 0.035 114.651 114.554 0.104 0.000 2.486 1425 T HA -0.339 4.022 4.350 0.017 0.000 0.257 1425 T C 1.830 176.559 174.700 0.049 0.000 1.175 1425 T CA 2.494 64.650 62.100 0.093 0.000 1.207 1425 T CB -0.438 68.484 68.868 0.092 0.000 0.864 1425 T HN 0.506 nan 8.240 nan 0.000 0.405 1426 K N 0.756 121.169 120.400 0.022 0.000 2.052 1426 K HA -0.169 4.162 4.320 0.017 0.000 0.215 1426 K C 2.289 178.819 176.600 -0.116 0.000 1.053 1426 K CA 1.942 58.198 56.287 -0.051 0.000 0.934 1426 K CB -0.459 32.024 32.500 -0.028 0.000 0.717 1426 K HN 0.179 nan 8.250 nan 0.000 0.450 1427 S N -0.535 115.142 115.700 -0.038 0.000 2.512 1427 S HA -0.168 4.312 4.470 0.017 0.000 0.253 1427 S C 1.336 175.976 174.600 0.067 0.000 0.984 1427 S CA 1.030 59.236 58.200 0.011 0.000 0.962 1427 S CB -0.161 63.179 63.200 0.234 0.000 0.747 1427 S HN 0.557 nan 8.310 nan 0.000 0.525 1428 A N -0.354 122.457 122.820 -0.016 0.000 2.226 1428 A HA 0.432 4.762 4.320 0.017 0.000 0.207 1428 A C 1.392 178.807 177.584 -0.282 0.000 1.293 1428 A CA -0.255 51.767 52.037 -0.024 0.000 0.968 1428 A CB -0.126 18.947 19.000 0.122 0.000 1.044 1428 A HN 0.363 nan 8.150 nan 0.000 0.493 1429 L N 1.484 122.522 121.223 -0.308 0.000 2.633 1429 L HA 0.074 4.425 4.340 0.017 0.000 0.235 1429 L C 0.297 176.947 176.870 -0.366 0.000 1.163 1429 L CA 1.393 55.973 54.840 -0.433 0.000 0.859 1429 L CB 0.048 41.949 42.059 -0.264 0.000 0.973 1429 L HN 0.395 nan 8.230 nan 0.000 0.451 1430 S N -2.018 113.497 115.700 -0.308 0.000 2.461 1430 S HA 0.581 5.061 4.470 0.017 0.000 0.216 1430 S C -0.207 174.310 174.600 -0.138 0.000 1.201 1430 S CA -0.342 57.702 58.200 -0.260 0.000 1.171 1430 S CB 0.693 63.705 63.200 -0.313 0.000 1.169 1430 S HN 0.181 nan 8.310 nan 0.000 0.456 1431 T N -0.495 114.012 114.554 -0.079 0.000 2.901 1431 T HA 0.582 4.943 4.350 0.017 0.000 0.293 1431 T C 0.977 175.680 174.700 0.005 0.000 1.084 1431 T CA -1.004 61.114 62.100 0.030 0.000 1.008 1431 T CB 1.414 70.289 68.868 0.012 0.000 1.170 1431 T HN 0.335 nan 8.240 nan 0.000 0.509 1432 K N 1.380 121.790 120.400 0.017 0.000 2.049 1432 K HA -0.126 4.204 4.320 0.017 0.000 0.219 1432 K C 1.084 177.677 176.600 -0.012 0.000 1.056 1432 K CA 1.986 58.269 56.287 -0.007 0.000 0.946 1432 K CB -1.246 31.220 32.500 -0.056 0.000 0.723 1432 K HN 0.753 nan 8.250 nan 0.000 0.453 1433 S N -0.040 115.624 115.700 -0.060 0.000 2.537 1433 S HA 0.264 4.745 4.470 0.017 0.000 0.275 1433 S C 0.574 175.154 174.600 -0.033 0.000 1.272 1433 S CA -0.576 57.586 58.200 -0.062 0.000 1.050 1433 S CB 0.736 63.833 63.200 -0.172 0.000 0.961 1433 S HN 0.590 nan 8.310 nan 0.000 0.496 1434 W N 3.556 124.826 121.300 -0.050 0.000 2.576 1434 W HA 0.203 4.874 4.660 0.018 0.000 0.270 1434 W C 1.006 177.509 176.519 -0.026 0.000 1.255 1434 W CA 0.001 57.314 57.345 -0.055 0.000 1.314 1434 W CB -0.485 28.950 29.460 -0.041 0.000 1.101 1434 W HN 0.539 nan 8.180 nan 0.000 0.595 1435 L N 1.293 121.853 121.223 -1.105 0.000 2.265 1435 L HA -0.121 4.229 4.340 0.017 0.000 0.215 1435 L C 2.793 179.504 176.870 -0.264 0.000 1.117 1435 L CA 2.156 56.527 54.840 -0.782 0.000 0.782 1435 L CB -1.141 40.409 42.059 -0.848 0.000 0.914 1435 L HN 0.300 nan 8.230 nan 0.000 0.441 1436 S N -1.114 114.481 115.700 -0.174 0.000 2.315 1436 S HA -0.008 4.472 4.470 0.017 0.000 0.211 1436 S C 2.088 176.761 174.600 0.122 0.000 1.029 1436 S CA 0.676 58.886 58.200 0.017 0.000 0.956 1436 S CB -0.324 62.905 63.200 0.048 0.000 0.918 1436 S HN 0.409 nan 8.310 nan 0.000 0.470 1437 A N 0.665 123.427 122.820 -0.097 0.000 2.245 1437 A HA 0.195 4.526 4.320 0.017 0.000 0.217 1437 A C 1.915 179.404 177.584 -0.159 0.000 1.171 1437 A CA 1.706 53.527 52.037 -0.361 0.000 0.688 1437 A CB -0.812 18.007 19.000 -0.301 0.000 0.781 1437 A HN 0.743 nan 8.150 nan 0.000 0.479 1438 A N -1.537 121.315 122.820 0.053 0.000 2.252 1438 A HA 0.319 4.649 4.320 0.017 0.000 0.213 1438 A C 1.750 179.407 177.584 0.122 0.000 1.188 1438 A CA 0.783 52.876 52.037 0.094 0.000 0.863 1438 A CB -0.068 19.035 19.000 0.173 0.000 0.893 1438 A HN 0.303 nan 8.150 nan 0.000 0.495 1439 S N 0.309 116.156 115.700 0.244 0.000 2.701 1439 S HA 0.285 4.765 4.470 0.017 0.000 0.220 1439 S C 0.020 174.593 174.600 -0.045 0.000 0.954 1439 S CA 0.144 58.415 58.200 0.118 0.000 0.936 1439 S CB -0.480 62.764 63.200 0.073 0.000 0.777 1439 S HN 0.437 nan 8.310 nan 0.000 0.518 1440 F N 0.685 120.477 119.950 -0.263 0.000 2.635 1440 F HA 0.537 5.074 4.527 0.018 0.000 0.362 1440 F C 1.223 176.718 175.800 -0.509 0.000 1.182 1440 F CA -1.231 56.581 58.000 -0.314 0.000 1.119 1440 F CB 0.100 39.005 39.000 -0.157 0.000 1.713 1440 F HN -0.232 nan 8.300 nan 0.000 0.512 1441 Q N 0.348 120.088 119.800 -0.100 0.000 2.186 1441 Q HA 0.253 4.604 4.340 0.017 0.000 0.241 1441 Q C 0.195 176.141 176.000 -0.089 0.000 0.849 1441 Q CA 0.004 55.700 55.803 -0.179 0.000 1.053 1441 Q CB -0.418 28.251 28.738 -0.115 0.000 1.146 1441 Q HN 0.509 nan 8.270 nan 0.000 0.475 1442 N N -2.040 116.617 118.700 -0.072 0.000 2.460 1442 N HA -0.050 4.701 4.740 0.017 0.000 0.193 1442 N C 1.167 176.610 175.510 -0.111 0.000 1.080 1442 N CA 1.102 54.105 53.050 -0.077 0.000 0.869 1442 N CB -0.279 38.161 38.487 -0.077 0.000 1.201 1442 N HN 0.259 nan 8.380 nan 0.000 0.457 1443 T N 0.656 115.148 114.554 -0.103 0.000 5.951 1443 T HA -0.437 3.923 4.350 0.017 0.000 0.211 1443 T C 1.775 176.345 174.700 -0.217 0.000 1.678 1443 T CA 3.439 65.479 62.100 -0.100 0.000 1.334 1443 T CB -2.112 66.720 68.868 -0.060 0.000 1.503 1443 T HN 0.244 nan 8.240 nan 0.000 0.582 1444 T N 1.054 115.389 114.554 -0.365 0.000 2.515 1444 T HA -0.392 3.969 4.350 0.017 0.000 0.246 1444 T C 1.512 175.853 174.700 -0.599 0.000 1.268 1444 T CA 2.780 64.404 62.100 -0.792 0.000 1.136 1444 T CB -1.204 67.278 68.868 -0.644 0.000 0.847 1444 T HN 0.804 nan 8.240 nan 0.000 0.442 1445 H N -0.050 118.759 119.070 -0.435 0.000 2.290 1445 H HA -0.080 4.487 4.556 0.017 0.000 0.298 1445 H C 2.321 177.490 175.328 -0.264 0.000 1.087 1445 H CA 1.440 57.291 56.048 -0.329 0.000 1.291 1445 H CB -0.182 29.436 29.762 -0.240 0.000 1.369 1445 H HN 0.176 nan 8.280 nan 0.000 0.492 1446 V N 0.789 120.585 119.914 -0.197 0.000 2.660 1446 V HA -0.241 3.889 4.120 0.017 0.000 0.257 1446 V C 2.193 178.243 176.094 -0.073 0.000 1.088 1446 V CA 1.333 63.529 62.300 -0.173 0.000 1.106 1446 V CB -0.375 31.386 31.823 -0.103 0.000 0.686 1446 V HN 0.335 nan 8.190 nan 0.000 0.481 1447 L N -1.521 119.638 121.223 -0.106 0.000 2.463 1447 L HA 0.082 4.433 4.340 0.017 0.000 0.219 1447 L C 2.252 179.101 176.870 -0.036 0.000 1.088 1447 L CA 1.439 56.258 54.840 -0.035 0.000 0.849 1447 L CB -0.214 41.921 42.059 0.126 0.000 1.012 1447 L HN 0.251 nan 8.230 nan 0.000 0.468 1448 T N -1.065 113.395 114.554 -0.157 0.000 2.623 1448 T HA -0.154 4.207 4.350 0.017 0.000 0.254 1448 T C 1.623 176.182 174.700 -0.235 0.000 1.075 1448 T CA 1.287 63.267 62.100 -0.201 0.000 1.177 1448 T CB -0.051 68.603 68.868 -0.356 0.000 0.869 1448 T HN 0.093 nan 8.240 nan 0.000 0.403 1449 E N 1.425 121.501 120.200 -0.207 0.000 2.187 1449 E HA -0.118 4.242 4.350 0.017 0.000 0.199 1449 E C 2.025 178.515 176.600 -0.184 0.000 1.004 1449 E CA 1.347 57.624 56.400 -0.204 0.000 0.813 1449 E CB -0.526 29.064 29.700 -0.183 0.000 0.736 1449 E HN 0.454 nan 8.360 nan 0.000 0.468 1450 A N 0.268 122.986 122.820 -0.170 0.000 1.930 1450 A HA 0.055 4.385 4.320 0.017 0.000 0.217 1450 A C 2.288 179.736 177.584 -0.227 0.000 1.175 1450 A CA 1.727 53.654 52.037 -0.183 0.000 0.627 1450 A CB -0.809 18.055 19.000 -0.227 0.000 0.815 1450 A HN 0.373 nan 8.150 nan 0.000 0.443 1451 A N 0.255 122.974 122.820 -0.169 0.000 1.822 1451 A HA 0.017 4.347 4.320 0.017 0.000 0.214 1451 A C 1.757 179.333 177.584 -0.014 0.000 1.245 1451 A CA 1.524 53.525 52.037 -0.061 0.000 0.608 1451 A CB -0.975 18.100 19.000 0.126 0.000 0.896 1451 A HN 0.379 nan 8.150 nan 0.000 0.457 1452 I N 0.156 120.723 120.570 -0.005 0.000 2.308 1452 I HA -0.404 3.777 4.170 0.017 0.000 0.248 1452 I C 2.547 178.621 176.117 -0.072 0.000 1.002 1452 I CA 1.971 63.243 61.300 -0.048 0.000 1.307 1452 I CB -0.672 37.095 38.000 -0.387 0.000 0.997 1452 I HN 0.406 nan 8.210 nan 0.000 0.431 1453 A N -0.699 122.058 122.820 -0.106 0.000 2.178 1453 A HA 0.429 4.760 4.320 0.017 0.000 0.211 1453 A C 1.813 179.389 177.584 -0.012 0.000 1.157 1453 A CA 0.676 52.671 52.037 -0.070 0.000 0.780 1453 A CB -0.795 18.150 19.000 -0.093 0.000 0.828 1453 A HN 0.827 nan 8.150 nan 0.000 0.476 1454 G N 0.251 109.045 108.800 -0.009 0.000 2.338 1454 G HA2 -0.250 3.720 3.960 0.017 0.000 0.296 1454 G HA3 -0.250 3.720 3.960 0.017 0.000 0.296 1454 G C -0.024 174.878 174.900 0.003 0.000 1.040 1454 G CA 0.299 45.403 45.100 0.006 0.000 1.004 1454 G HN 0.336 nan 8.290 nan 0.000 0.509 1455 K N 0.680 121.064 120.400 -0.027 0.000 2.336 1455 K HA 0.117 4.448 4.320 0.017 0.000 0.290 1455 K C 0.955 177.663 176.600 0.181 0.000 1.067 1455 K CA 0.070 56.389 56.287 0.054 0.000 0.962 1455 K CB 0.437 32.976 32.500 0.066 0.000 1.008 1455 K HN 0.433 nan 8.250 nan 0.000 0.467 1456 K N 2.281 122.781 120.400 0.167 0.000 2.379 1456 K HA -0.019 4.312 4.320 0.017 0.000 0.284 1456 K C 0.175 176.922 176.600 0.243 0.000 1.044 1456 K CA -0.025 56.394 56.287 0.220 0.000 0.974 1456 K CB 0.577 33.149 32.500 0.120 0.000 0.962 1456 K HN 0.405 nan 8.250 nan 0.000 0.474 1457 D N 4.459 125.040 120.400 0.301 0.000 2.483 1457 D HA -0.023 4.628 4.640 0.017 0.000 0.220 1457 D C -0.539 175.730 176.300 -0.052 0.000 1.173 1457 D CA -0.033 53.971 54.000 0.007 0.000 0.964 1457 D CB 0.401 40.895 40.800 -0.510 0.000 1.046 1457 D HN 0.318 nan 8.370 nan 0.000 0.517 1458 E N 3.085 123.269 120.200 -0.027 0.000 2.292 1458 E HA 0.045 4.405 4.350 0.017 0.000 0.265 1458 E C 0.180 176.726 176.600 -0.090 0.000 1.093 1458 E CA -0.103 56.273 56.400 -0.039 0.000 0.922 1458 E CB 0.838 30.524 29.700 -0.023 0.000 1.001 1458 E HN 0.505 nan 8.360 nan 0.000 0.444 1459 L N 5.429 126.600 121.223 -0.086 0.000 2.515 1459 L HA 0.131 4.482 4.340 0.017 0.000 0.281 1459 L C 1.337 178.158 176.870 -0.082 0.000 1.131 1459 L CA 0.075 54.856 54.840 -0.099 0.000 0.905 1459 L CB -0.406 41.600 42.059 -0.088 0.000 1.246 1459 L HN 0.485 nan 8.230 nan 0.000 0.463 1460 I N -0.303 120.199 120.570 -0.114 0.000 4.032 1460 I HA 0.291 4.471 4.170 0.017 0.000 0.313 1460 I C 1.395 177.448 176.117 -0.108 0.000 1.272 1460 I CA -0.027 61.209 61.300 -0.108 0.000 1.307 1460 I CB -0.044 37.868 38.000 -0.145 0.000 1.155 1460 I HN 0.534 nan 8.210 nan 0.000 0.431 1461 G N 1.331 110.062 108.800 -0.114 0.000 2.543 1461 G HA2 0.440 4.411 3.960 0.017 0.000 0.290 1461 G HA3 0.440 4.411 3.960 0.017 0.000 0.290 1461 G C 0.645 175.635 174.900 0.151 0.000 1.310 1461 G CA -0.489 44.574 45.100 -0.061 0.000 1.025 1461 G HN 0.049 nan 8.290 nan 0.000 0.502 1462 L N -0.817 120.631 121.223 0.375 0.000 2.253 1462 L HA 0.113 4.464 4.340 0.017 0.000 0.205 1462 L C 2.668 179.542 176.870 0.007 0.000 1.078 1462 L CA 0.580 55.499 54.840 0.132 0.000 0.805 1462 L CB -0.601 41.504 42.059 0.077 0.000 0.963 1462 L HN 0.651 nan 8.230 nan 0.000 0.459 1463 K N 1.498 121.786 120.400 -0.186 0.000 1.974 1463 K HA -0.257 4.074 4.320 0.017 0.000 0.229 1463 K C 1.965 178.450 176.600 -0.192 0.000 1.038 1463 K CA 2.493 58.544 56.287 -0.392 0.000 1.034 1463 K CB -0.223 31.758 32.500 -0.865 0.000 0.742 1463 K HN 0.370 nan 8.250 nan 0.000 0.446 1464 E N 0.111 120.214 120.200 -0.163 0.000 2.197 1464 E HA -0.293 4.067 4.350 0.017 0.000 0.205 1464 E C 1.400 177.922 176.600 -0.129 0.000 1.029 1464 E CA 1.495 57.805 56.400 -0.150 0.000 0.828 1464 E CB -0.625 28.980 29.700 -0.158 0.000 0.737 1464 E HN 0.339 nan 8.360 nan 0.000 0.464 1465 N N 0.525 119.173 118.700 -0.086 0.000 2.421 1465 N HA -0.002 4.749 4.740 0.017 0.000 0.201 1465 N C 0.805 176.273 175.510 -0.069 0.000 1.198 1465 N CA 0.134 53.140 53.050 -0.074 0.000 0.838 1465 N CB 0.739 39.196 38.487 -0.050 0.000 1.011 1465 N HN 0.116 nan 8.380 nan 0.000 0.463 1466 V N -0.067 119.800 119.914 -0.077 0.000 3.359 1466 V HA 0.100 4.231 4.120 0.017 0.000 0.245 1466 V C 1.989 178.045 176.094 -0.063 0.000 1.247 1466 V CA 0.135 62.394 62.300 -0.069 0.000 1.145 1466 V CB 0.266 32.045 31.823 -0.074 0.000 0.906 1466 V HN 0.162 nan 8.190 nan 0.000 0.464 1467 I N -0.033 120.496 120.570 -0.068 0.000 2.423 1467 I HA -0.240 3.941 4.170 0.017 0.000 0.254 1467 I C 2.140 178.228 176.117 -0.048 0.000 1.151 1467 I CA 1.675 62.944 61.300 -0.052 0.000 1.421 1467 I CB -0.300 37.668 38.000 -0.054 0.000 1.079 1467 I HN 0.247 nan 8.210 nan 0.000 0.431 1468 L N 1.039 122.226 121.223 -0.059 0.000 2.610 1468 L HA 0.072 4.422 4.340 0.017 0.000 0.232 1468 L C 1.685 178.529 176.870 -0.045 0.000 1.149 1468 L CA 0.619 55.428 54.840 -0.052 0.000 0.872 1468 L CB -0.423 41.600 42.059 -0.060 0.000 0.992 1468 L HN 0.554 nan 8.230 nan 0.000 0.447 1469 G N 0.570 109.343 108.800 -0.045 0.000 2.180 1469 G HA2 -0.342 3.629 3.960 0.017 0.000 0.263 1469 G HA3 -0.342 3.629 3.960 0.017 0.000 0.263 1469 G C 0.676 175.549 174.900 -0.045 0.000 0.989 1469 G CA 0.536 45.611 45.100 -0.041 0.000 0.692 1469 G HN 0.374 nan 8.290 nan 0.000 0.526 1470 R N -1.359 119.112 120.500 -0.049 0.000 2.896 1470 R HA 0.553 4.904 4.340 0.017 0.000 0.258 1470 R C 0.414 176.677 176.300 -0.063 0.000 1.240 1470 R CA -0.578 55.491 56.100 -0.052 0.000 1.109 1470 R CB 0.092 30.363 30.300 -0.048 0.000 1.081 1470 R HN 0.247 nan 8.270 nan 0.000 0.562 1471 L N 1.905 123.086 121.223 -0.070 0.000 2.276 1471 L HA 0.225 4.576 4.340 0.017 0.000 0.286 1471 L C -0.498 176.326 176.870 -0.077 0.000 1.061 1471 L CA -0.208 54.579 54.840 -0.088 0.000 0.807 1471 L CB 0.760 42.751 42.059 -0.113 0.000 1.177 1471 L HN 0.302 nan 8.230 nan 0.000 0.429 1472 I N 7.698 128.223 120.570 -0.075 0.000 2.996 1472 I HA -0.070 4.110 4.170 0.017 0.000 0.310 1472 I C -1.327 174.754 176.117 -0.061 0.000 1.225 1472 I CA -0.787 60.477 61.300 -0.061 0.000 1.442 1472 I CB -0.035 37.930 38.000 -0.059 0.000 1.334 1472 I HN 0.572 nan 8.210 nan 0.000 0.550 1473 P HA -0.016 nan 4.420 nan 0.000 0.230 1473 P C 0.902 178.175 177.300 -0.045 0.000 1.158 1473 P CA 0.845 63.918 63.100 -0.045 0.000 0.769 1473 P CB 0.523 32.201 31.700 -0.037 0.000 0.807 1474 A N -1.380 121.412 122.820 -0.046 0.000 2.192 1474 A HA 0.448 4.779 4.320 0.017 0.000 0.208 1474 A C 1.703 179.257 177.584 -0.050 0.000 1.220 1474 A CA 0.836 52.843 52.037 -0.048 0.000 0.900 1474 A CB -0.721 18.251 19.000 -0.048 0.000 0.937 1474 A HN 0.242 nan 8.150 nan 0.000 0.487 1475 G N -0.631 108.138 108.800 -0.052 0.000 3.311 1475 G HA2 0.263 4.234 3.960 0.017 0.000 0.169 1475 G HA3 0.263 4.234 3.960 0.017 0.000 0.169 1475 G C 0.820 175.693 174.900 -0.045 0.000 1.852 1475 G CA 0.960 46.032 45.100 -0.048 0.000 1.010 1475 G HN 0.161 nan 8.290 nan 0.000 0.530 1476 T N 0.735 115.260 114.554 -0.048 0.000 3.284 1476 T HA 0.190 4.551 4.350 0.017 0.000 0.252 1476 T C 1.777 176.418 174.700 -0.099 0.000 1.144 1476 T CA 0.726 62.798 62.100 -0.047 0.000 1.021 1476 T CB 0.099 68.960 68.868 -0.012 0.000 0.984 1476 T HN 0.447 nan 8.240 nan 0.000 0.545 1477 G N 0.787 109.528 108.800 -0.097 0.000 3.042 1477 G HA2 0.100 4.070 3.960 0.017 0.000 0.212 1477 G HA3 0.100 4.070 3.960 0.017 0.000 0.212 1477 G C 0.512 175.344 174.900 -0.114 0.000 1.166 1477 G CA -0.362 44.665 45.100 -0.121 0.000 0.767 1477 G HN 0.454 nan 8.290 nan 0.000 0.546 1478 S N 0.960 116.611 115.700 -0.082 0.000 2.555 1478 S HA 0.013 4.494 4.470 0.017 0.000 0.293 1478 S C 1.343 175.888 174.600 -0.091 0.000 1.248 1478 S CA -0.330 57.851 58.200 -0.033 0.000 1.096 1478 S CB 0.184 63.417 63.200 0.055 0.000 0.881 1478 S HN 0.363 nan 8.310 nan 0.000 0.498 1479 D N 4.299 124.670 120.400 -0.048 0.000 2.182 1479 D HA -0.162 4.489 4.640 0.017 0.000 0.201 1479 D C 1.372 177.692 176.300 0.035 0.000 0.986 1479 D CA 1.087 55.051 54.000 -0.061 0.000 0.847 1479 D CB -0.153 40.717 40.800 0.116 0.000 0.942 1479 D HN 0.743 nan 8.370 nan 0.000 0.467 1480 F N 1.571 121.492 119.950 -0.048 0.000 2.154 1480 F HA -0.215 4.322 4.527 0.017 0.000 0.301 1480 F C 1.951 177.735 175.800 -0.026 0.000 1.087 1480 F CA 1.184 59.183 58.000 -0.001 0.000 1.274 1480 F CB 0.037 39.028 39.000 -0.015 0.000 1.009 1480 F HN -0.203 nan 8.300 nan 0.000 0.485 1481 V N -0.766 119.071 119.914 -0.129 0.000 3.645 1481 V HA 0.112 4.242 4.120 0.017 0.000 0.275 1481 V C 1.938 177.834 176.094 -0.330 0.000 1.356 1481 V CA 0.118 62.264 62.300 -0.256 0.000 1.051 1481 V CB -0.292 31.449 31.823 -0.137 0.000 0.828 1481 V HN 0.085 nan 8.190 nan 0.000 0.441 1482 R N 0.751 120.914 120.500 -0.562 0.000 2.350 1482 R HA -0.137 4.214 4.340 0.017 0.000 0.246 1482 R C -0.417 175.299 176.300 -0.974 0.000 1.182 1482 R CA 1.394 56.980 56.100 -0.858 0.000 1.030 1482 R CB -0.214 29.373 30.300 -1.187 0.000 0.861 1482 R HN 0.570 nan 8.270 nan 0.000 0.483 1483 F N -1.149 118.783 119.950 -0.031 0.000 2.902 1483 F HA 0.297 4.835 4.527 0.018 0.000 0.368 1483 F C -0.627 175.140 175.800 -0.055 0.000 1.202 1483 F CA -0.906 57.077 58.000 -0.028 0.000 1.109 1483 F CB 1.681 40.665 39.000 -0.026 0.000 1.418 1483 F HN -0.384 nan 8.300 nan 0.000 0.527 1484 T N 2.111 116.707 114.554 0.071 0.000 2.985 1484 T HA 0.339 4.700 4.350 0.017 0.000 0.315 1484 T C -0.451 174.264 174.700 0.026 0.000 1.001 1484 T CA -0.773 61.335 62.100 0.013 0.000 1.016 1484 T CB 1.262 70.102 68.868 -0.047 0.000 0.993 1484 T HN 0.461 nan 8.240 nan 0.000 0.454 1485 Q N 1.514 121.329 119.800 0.025 0.000 2.306 1485 Q HA 0.675 5.026 4.340 0.017 0.000 0.241 1485 Q C -0.399 175.602 176.000 0.002 0.000 0.948 1485 Q CA -0.856 54.959 55.803 0.020 0.000 0.886 1485 Q CB 1.357 30.108 28.738 0.022 0.000 1.227 1485 Q HN 0.396 nan 8.270 nan 0.000 0.457 1486 V N 1.786 121.699 119.914 -0.001 0.000 2.715 1486 V HA 0.670 4.801 4.120 0.017 0.000 0.310 1486 V C -0.332 175.757 176.094 -0.007 0.000 1.054 1486 V CA -0.662 61.632 62.300 -0.010 0.000 0.928 1486 V CB 1.893 33.705 31.823 -0.019 0.000 1.007 1486 V HN 0.557 nan 8.190 nan 0.000 0.437 1487 V N 1.699 121.607 119.914 -0.009 0.000 3.216 1487 V HA 0.555 4.685 4.120 0.017 0.000 0.302 1487 V C -1.523 174.567 176.094 -0.007 0.000 1.286 1487 V CA -0.869 61.427 62.300 -0.006 0.000 1.048 1487 V CB 2.653 34.474 31.823 -0.004 0.000 1.081 1487 V HN 0.908 nan 8.190 nan 0.000 0.442 1488 D N 0.931 121.328 120.400 -0.005 0.000 2.340 1488 D HA 0.329 4.979 4.640 0.017 0.000 0.240 1488 D C 0.238 176.536 176.300 -0.003 0.000 1.001 1488 D CA -0.621 53.376 54.000 -0.005 0.000 0.888 1488 D CB 2.238 43.035 40.800 -0.005 0.000 1.310 1488 D HN 0.394 nan 8.370 nan 0.000 0.474 1489 Q N 0.685 120.483 119.800 -0.003 0.000 2.226 1489 Q HA -0.120 4.230 4.340 0.017 0.000 0.204 1489 Q C 1.456 177.456 176.000 -0.001 0.000 0.975 1489 Q CA 1.174 56.976 55.803 -0.002 0.000 0.866 1489 Q CB 0.066 28.804 28.738 -0.001 0.000 0.915 1489 Q HN 0.472 nan 8.270 nan 0.000 0.440 1490 K N 0.062 120.461 120.400 -0.001 0.000 2.097 1490 K HA -0.089 4.241 4.320 0.017 0.000 0.205 1490 K C 2.179 178.779 176.600 -0.000 0.000 1.050 1490 K CA 1.749 58.036 56.287 -0.001 0.000 0.938 1490 K CB -0.237 32.262 32.500 -0.001 0.000 0.718 1490 K HN 0.306 nan 8.250 nan 0.000 0.442 1491 T N -0.201 114.352 114.554 -0.001 0.000 3.035 1491 T HA 0.038 4.399 4.350 0.017 0.000 0.259 1491 T C 1.823 176.523 174.700 -0.000 0.000 1.078 1491 T CA 0.004 62.104 62.100 -0.000 0.000 1.132 1491 T CB -0.035 68.832 68.868 -0.001 0.000 0.900 1491 T HN -0.004 nan 8.240 nan 0.000 0.480 1492 L N 1.091 122.313 121.223 -0.001 0.000 2.046 1492 L HA 0.010 4.360 4.340 0.017 0.000 0.208 1492 L C 2.223 179.092 176.870 -0.000 0.000 1.077 1492 L CA 1.884 56.723 54.840 -0.001 0.000 0.747 1492 L CB -0.814 41.244 42.059 -0.001 0.000 0.896 1492 L HN 0.181 nan 8.230 nan 0.000 0.432 1493 K N 0.436 120.836 120.400 -0.000 0.000 2.103 1493 K HA -0.097 4.233 4.320 0.017 0.000 0.207 1493 K C 1.895 178.495 176.600 0.000 0.000 1.048 1493 K CA 1.376 57.663 56.287 0.000 0.000 0.930 1493 K CB -0.617 31.884 32.500 0.000 0.000 0.716 1493 K HN 0.410 nan 8.250 nan 0.000 0.444 1494 A N 0.514 123.334 122.820 0.000 0.000 2.239 1494 A HA -0.036 4.295 4.320 0.017 0.000 0.209 1494 A C 1.951 179.535 177.584 0.000 0.000 1.171 1494 A CA 0.553 52.591 52.037 0.000 0.000 0.768 1494 A CB -0.297 18.703 19.000 0.001 0.000 0.790 1494 A HN 0.153 nan 8.150 nan 0.000 0.478 1495 I N -1.003 119.567 120.570 0.000 0.000 2.867 1495 I HA 0.016 4.196 4.170 0.017 0.000 0.265 1495 I C 2.086 178.203 176.117 -0.000 0.000 1.162 1495 I CA 1.193 62.493 61.300 -0.000 0.000 1.471 1495 I CB 0.116 38.115 38.000 -0.000 0.000 1.123 1495 I HN 0.348 nan 8.210 nan 0.000 0.440 1496 E N 0.833 121.033 120.200 -0.000 0.000 2.107 1496 E HA -0.188 4.173 4.350 0.017 0.000 0.191 1496 E C 1.840 178.441 176.600 0.000 0.000 0.982 1496 E CA 1.375 57.775 56.400 0.000 0.000 0.809 1496 E CB -0.212 29.488 29.700 0.000 0.000 0.756 1496 E HN 0.345 nan 8.360 nan 0.000 0.459 1497 E N 0.636 120.836 120.200 0.000 0.000 2.160 1497 E HA -0.165 4.195 4.350 0.017 0.000 0.195 1497 E C 1.950 178.550 176.600 0.000 0.000 0.991 1497 E CA 1.214 57.614 56.400 0.000 0.000 0.810 1497 E CB -0.640 29.061 29.700 0.001 0.000 0.742 1497 E HN 0.417 nan 8.360 nan 0.000 0.466 1498 A N 1.191 124.011 122.820 0.000 0.000 1.969 1498 A HA -0.095 4.236 4.320 0.017 0.000 0.218 1498 A C 2.107 179.691 177.584 -0.000 0.000 1.169 1498 A CA 0.973 53.010 52.037 0.000 0.000 0.635 1498 A CB -0.277 18.723 19.000 0.000 0.000 0.810 1498 A HN 0.062 nan 8.150 nan 0.000 0.445 1499 R N -0.689 119.811 120.500 -0.000 0.000 2.310 1499 R HA 0.091 4.442 4.340 0.017 0.000 0.202 1499 R C 1.544 177.844 176.300 0.000 0.000 0.933 1499 R CA 0.445 56.545 56.100 -0.000 0.000 1.054 1499 R CB 0.032 30.332 30.300 -0.000 0.000 0.985 1499 R HN 0.477 nan 8.270 nan 0.000 0.489 1500 K N 0.599 120.999 120.400 0.000 0.000 2.098 1500 K HA -0.038 4.293 4.320 0.017 0.000 0.203 1500 K C 1.472 178.072 176.600 0.000 0.000 1.051 1500 K CA 0.810 57.097 56.287 0.000 0.000 0.957 1500 K CB 0.227 32.727 32.500 0.001 0.000 0.738 1500 K HN 0.184 nan 8.250 nan 0.000 0.447 1501 E N 1.070 121.270 120.200 0.000 0.000 2.265 1501 E HA -0.163 4.197 4.350 0.017 0.000 0.196 1501 E C 1.926 178.526 176.600 0.000 0.000 0.996 1501 E CA 0.669 57.070 56.400 0.000 0.000 0.832 1501 E CB -0.150 29.550 29.700 0.000 0.000 0.756 1501 E HN 0.279 nan 8.360 nan 0.000 0.491 1502 A N 1.661 124.481 122.820 0.000 0.000 1.971 1502 A HA -0.167 4.164 4.320 0.017 0.000 0.222 1502 A C 1.605 179.190 177.584 0.000 0.000 1.182 1502 A CA 0.990 53.027 52.037 0.000 0.000 0.649 1502 A CB -0.694 18.306 19.000 -0.000 0.000 0.818 1502 A HN 0.105 nan 8.150 nan 0.000 0.458 1503 V N 2.532 122.446 119.914 0.000 0.000 2.390 1503 V HA 0.053 4.184 4.120 0.017 0.000 0.260 1503 V C -0.112 175.982 176.094 0.001 0.000 1.043 1503 V CA -0.321 61.979 62.300 0.001 0.000 1.047 1503 V CB -0.144 31.679 31.823 0.001 0.000 1.066 1503 V HN 0.394 nan 8.190 nan 0.000 0.481 1504 E N 4.446 124.646 120.200 0.000 0.000 2.290 1504 E HA 0.527 4.887 4.350 0.017 0.000 0.277 1504 E C 0.737 177.338 176.600 0.001 0.000 1.035 1504 E CA 0.701 57.101 56.400 0.000 0.000 0.873 1504 E CB 1.125 30.825 29.700 0.000 0.000 1.029 1504 E HN 0.991 nan 8.360 nan 0.000 0.419 1505 A N 0.000 122.820 122.820 0.001 0.000 2.254 1505 A HA 0.000 4.330 4.320 0.017 0.000 0.244 1505 A CA 0.000 52.037 52.037 0.001 0.000 0.836 1505 A CB 0.000 19.000 19.000 0.001 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486