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 1smy_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 0.000 176.597 176.600 -0.004 0.000 0.988 2 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 2 K CB 0.000 32.497 32.500 -0.004 0.000 1.064 3 K N 1.427 121.827 120.400 -0.001 0.000 2.130 3 K HA 0.345 4.642 4.320 -0.037 0.000 0.268 3 K C -0.714 175.889 176.600 0.004 0.000 0.983 3 K CA -0.391 55.899 56.287 0.006 0.000 0.893 3 K CB 1.375 33.881 32.500 0.010 0.000 1.066 3 K HN 0.087 nan 8.250 nan 0.000 0.450 4 E N 1.498 121.704 120.200 0.010 0.000 2.417 4 E HA 0.028 4.355 4.350 -0.037 0.000 0.261 4 E C -0.466 176.139 176.600 0.009 0.000 1.000 4 E CA -0.256 56.148 56.400 0.006 0.000 0.919 4 E CB 0.827 30.538 29.700 0.018 0.000 0.955 4 E HN 0.279 nan 8.360 nan 0.000 0.455 5 V N 6.175 126.089 119.914 0.001 0.000 2.421 5 V HA -0.003 4.095 4.120 -0.037 0.000 0.271 5 V C 1.199 177.297 176.094 0.006 0.000 1.031 5 V CA 0.514 62.816 62.300 0.004 0.000 1.032 5 V CB 0.221 32.042 31.823 -0.003 0.000 1.009 5 V HN 0.698 nan 8.190 nan 0.000 0.477 6 R N 3.121 123.629 120.500 0.014 0.000 2.419 6 R HA 0.326 4.644 4.340 -0.037 0.000 0.235 6 R C -0.093 176.214 176.300 0.012 0.000 0.899 6 R CA -0.099 56.010 56.100 0.014 0.000 1.048 6 R CB 0.757 31.070 30.300 0.021 0.000 1.182 6 R HN 0.530 nan 8.270 nan 0.000 0.544 7 K N 1.156 121.569 120.400 0.023 0.000 2.535 7 K HA 0.442 4.740 4.320 -0.037 0.000 0.251 7 K C -1.384 175.254 176.600 0.063 0.000 0.942 7 K CA -0.546 55.762 56.287 0.036 0.000 0.798 7 K CB 3.493 36.023 32.500 0.050 0.000 1.267 7 K HN -0.234 nan 8.250 nan 0.000 0.434 8 V N 2.767 122.729 119.914 0.080 0.000 2.680 8 V HA 0.581 4.679 4.120 -0.037 0.000 0.309 8 V C -0.764 175.564 176.094 0.390 0.000 1.052 8 V CA -0.779 61.626 62.300 0.176 0.000 0.908 8 V CB 1.895 33.788 31.823 0.117 0.000 1.001 8 V HN 0.838 nan 8.190 nan 0.000 0.431 9 R N 4.036 124.804 120.500 0.447 0.000 2.604 9 R HA 0.711 5.028 4.340 -0.037 0.000 0.281 9 R C -1.747 174.622 176.300 0.115 0.000 1.020 9 R CA -0.790 55.563 56.100 0.422 0.000 0.899 9 R CB 1.696 32.136 30.300 0.234 0.000 1.205 9 R HN 0.541 nan 8.270 nan 0.000 0.450 10 I N 2.329 122.684 120.570 -0.358 0.000 2.396 10 I HA 0.621 4.769 4.170 -0.037 0.000 0.292 10 I C 0.015 176.054 176.117 -0.131 0.000 0.999 10 I CA -0.585 60.467 61.300 -0.414 0.000 1.310 10 I CB 1.756 39.264 38.000 -0.821 0.000 1.404 10 I HN 0.907 nan 8.210 nan 0.000 0.496 11 A N 6.240 129.069 122.820 0.016 0.000 2.594 11 A HA 0.683 4.981 4.320 -0.037 0.000 0.291 11 A C -0.942 176.771 177.584 0.215 0.000 1.105 11 A CA -0.618 51.490 52.037 0.120 0.000 0.694 11 A CB 1.327 20.414 19.000 0.144 0.000 1.291 11 A HN 0.630 nan 8.150 nan 0.000 0.410 12 L N 0.568 121.977 121.223 0.310 0.000 2.472 12 L HA 0.519 4.837 4.340 -0.037 0.000 0.260 12 L C 0.776 177.824 176.870 0.296 0.000 1.209 12 L CA -0.305 54.782 54.840 0.412 0.000 0.817 12 L CB 1.194 43.599 42.059 0.577 0.000 1.106 12 L HN 0.872 nan 8.230 nan 0.000 0.479 13 A N 1.791 124.741 122.820 0.217 0.000 2.249 13 A HA 0.467 4.765 4.320 -0.037 0.000 0.314 13 A C -0.189 177.205 177.584 -0.316 0.000 1.290 13 A CA -0.399 51.600 52.037 -0.063 0.000 0.893 13 A CB 0.447 19.384 19.000 -0.104 0.000 1.165 13 A HN 0.643 nan 8.150 nan 0.000 0.530 14 S N 4.494 119.742 115.700 -0.753 0.000 2.531 14 S HA 0.219 4.667 4.470 -0.037 0.000 0.279 14 S C -1.638 172.479 174.600 -0.805 0.000 1.305 14 S CA -0.648 56.738 58.200 -1.357 0.000 1.058 14 S CB 0.895 63.152 63.200 -1.572 0.000 0.899 14 S HN 0.567 nan 8.310 nan 0.000 0.493 15 P HA -0.220 nan 4.420 nan 0.000 0.216 15 P C 1.455 178.474 177.300 -0.468 0.000 1.150 15 P CA 1.208 64.065 63.100 -0.406 0.000 0.843 15 P CB 0.076 31.640 31.700 -0.227 0.000 0.787 16 E N 0.238 120.137 120.200 -0.502 0.000 2.077 16 E HA -0.198 4.130 4.350 -0.037 0.000 0.193 16 E C 1.764 178.063 176.600 -0.501 0.000 0.989 16 E CA 1.080 57.224 56.400 -0.427 0.000 0.800 16 E CB -0.734 28.753 29.700 -0.356 0.000 0.746 16 E HN 0.133 nan 8.360 nan 0.000 0.452 17 K N 0.420 120.454 120.400 -0.610 0.000 2.063 17 K HA -0.130 4.168 4.320 -0.037 0.000 0.208 17 K C 2.193 178.096 176.600 -1.161 0.000 1.048 17 K CA 1.469 57.322 56.287 -0.723 0.000 0.928 17 K CB -0.211 31.889 32.500 -0.667 0.000 0.713 17 K HN 0.254 nan 8.250 nan 0.000 0.442 18 I N 1.566 121.473 120.570 -1.104 0.000 2.194 18 I HA -0.302 3.845 4.170 -0.037 0.000 0.246 18 I C 2.253 177.966 176.117 -0.675 0.000 1.093 18 I CA 1.517 62.189 61.300 -1.046 0.000 1.355 18 I CB -1.104 36.535 38.000 -0.602 0.000 1.046 18 I HN 0.198 nan 8.210 nan 0.000 0.413 19 R N 1.243 121.382 120.500 -0.601 0.000 2.062 19 R HA -0.094 4.224 4.340 -0.037 0.000 0.231 19 R C 2.461 178.519 176.300 -0.404 0.000 1.136 19 R CA 1.768 57.537 56.100 -0.552 0.000 0.948 19 R CB -1.270 28.752 30.300 -0.464 0.000 0.845 19 R HN 0.557 nan 8.270 nan 0.000 0.430 20 S N 0.102 115.583 115.700 -0.365 0.000 2.419 20 S HA -0.140 4.308 4.470 -0.037 0.000 0.235 20 S C 1.745 176.288 174.600 -0.095 0.000 1.019 20 S CA 0.933 59.000 58.200 -0.222 0.000 0.982 20 S CB -0.422 62.675 63.200 -0.171 0.000 0.789 20 S HN 0.340 nan 8.310 nan 0.000 0.490 21 W N 1.941 123.105 121.300 -0.228 0.000 2.443 21 W HA 0.418 5.056 4.660 -0.037 0.000 0.296 21 W C 1.957 178.303 176.519 -0.288 0.000 1.202 21 W CA -0.531 56.698 57.345 -0.193 0.000 1.312 21 W CB -1.535 27.876 29.460 -0.082 0.000 1.120 21 W HN 0.323 nan 8.180 nan 0.000 0.536 22 S N -0.384 115.327 115.700 0.019 0.000 2.606 22 S HA 0.262 4.709 4.470 -0.037 0.000 0.257 22 S C -1.220 173.218 174.600 -0.270 0.000 1.327 22 S CA 0.068 58.282 58.200 0.023 0.000 0.984 22 S CB 0.238 63.540 63.200 0.171 0.000 0.941 22 S HN 0.015 nan 8.310 nan 0.000 0.576 23 Y N 0.011 120.313 120.300 0.003 0.000 2.396 23 Y HA 0.563 5.090 4.550 -0.037 0.000 0.332 23 Y C 0.642 176.464 175.900 -0.130 0.000 1.034 23 Y CA -0.240 57.822 58.100 -0.064 0.000 1.057 23 Y CB 1.286 39.677 38.460 -0.114 0.000 1.220 23 Y HN 1.141 nan 8.280 nan 0.000 0.440 24 G N 2.150 110.990 108.800 0.068 0.000 2.916 24 G HA2 -0.120 3.817 3.960 -0.037 0.000 0.533 24 G HA3 -0.120 3.817 3.960 -0.037 0.000 0.533 24 G C -0.808 173.975 174.900 -0.195 0.000 1.516 24 G CA -0.481 44.588 45.100 -0.051 0.000 0.944 24 G HN 0.647 nan 8.290 nan 0.000 0.555 25 E N -0.042 119.985 120.200 -0.288 0.000 2.235 25 E HA 0.403 4.731 4.350 -0.037 0.000 0.252 25 E C 0.278 176.690 176.600 -0.314 0.000 0.886 25 E CA -0.672 55.410 56.400 -0.529 0.000 0.767 25 E CB 1.386 30.813 29.700 -0.455 0.000 1.205 25 E HN 0.553 nan 8.360 nan 0.000 0.421 26 V N 6.402 126.142 119.914 -0.290 0.000 2.416 26 V HA -0.081 4.016 4.120 -0.037 0.000 0.260 26 V C 1.505 177.509 176.094 -0.149 0.000 1.018 26 V CA 0.814 63.012 62.300 -0.169 0.000 1.120 26 V CB -0.296 31.455 31.823 -0.120 0.000 1.081 26 V HN 0.584 nan 8.190 nan 0.000 0.474 27 E N 3.664 123.792 120.200 -0.120 0.000 2.481 27 E HA 0.196 4.524 4.350 -0.037 0.000 0.198 27 E C 0.065 176.622 176.600 -0.072 0.000 1.027 27 E CA -0.142 56.202 56.400 -0.094 0.000 0.900 27 E CB 0.643 30.293 29.700 -0.084 0.000 0.993 27 E HN 0.644 nan 8.360 nan 0.000 0.482 28 K N 1.232 121.587 120.400 -0.075 0.000 2.502 28 K HA 0.291 4.589 4.320 -0.037 0.000 0.257 28 K C -2.758 173.795 176.600 -0.079 0.000 0.938 28 K CA -2.208 54.041 56.287 -0.065 0.000 0.819 28 K CB 2.296 34.763 32.500 -0.055 0.000 1.333 28 K HN -0.269 nan 8.250 nan 0.000 0.434 29 P HA 0.014 nan 4.420 nan 0.000 0.269 29 P C -0.892 176.352 177.300 -0.093 0.000 1.601 29 P CA 0.174 63.227 63.100 -0.078 0.000 0.831 29 P CB 0.037 31.710 31.700 -0.046 0.000 1.688 30 E N 0.217 120.355 120.200 -0.103 0.000 2.035 30 E HA 0.112 4.440 4.350 -0.037 0.000 0.271 30 E C 1.138 177.665 176.600 -0.123 0.000 0.953 30 E CA -0.003 56.344 56.400 -0.088 0.000 0.777 30 E CB 0.978 30.643 29.700 -0.059 0.000 1.104 30 E HN 0.236 nan 8.360 nan 0.000 0.408 31 T N 0.481 114.966 114.554 -0.116 0.000 2.849 31 T HA 0.190 4.517 4.350 -0.037 0.000 0.230 31 T C 1.010 175.832 174.700 0.203 0.000 1.071 31 T CA 0.417 62.464 62.100 -0.089 0.000 1.559 31 T CB 0.121 68.987 68.868 -0.003 0.000 1.141 31 T HN 0.345 nan 8.240 nan 0.000 0.417 32 I N 1.796 122.463 120.570 0.160 0.000 2.571 32 I HA 0.375 4.523 4.170 -0.037 0.000 0.289 32 I C -1.543 174.571 176.117 -0.006 0.000 1.115 32 I CA -1.008 60.357 61.300 0.108 0.000 1.045 32 I CB 2.177 40.254 38.000 0.127 0.000 1.238 32 I HN 0.204 nan 8.210 nan 0.000 0.424 33 N N 5.041 123.714 118.700 -0.045 0.000 2.408 33 N HA 0.159 4.877 4.740 -0.037 0.000 0.257 33 N C 0.738 176.156 175.510 -0.153 0.000 1.064 33 N CA -0.436 52.524 53.050 -0.149 0.000 0.952 33 N CB 0.514 38.879 38.487 -0.204 0.000 1.093 33 N HN 0.543 nan 8.380 nan 0.000 0.490 34 Y N 2.831 123.100 120.300 -0.052 0.000 2.073 34 Y HA -0.396 4.132 4.550 -0.037 0.000 0.270 34 Y C 2.396 178.321 175.900 0.042 0.000 1.226 34 Y CA 1.892 59.986 58.100 -0.009 0.000 1.117 34 Y CB -0.724 37.727 38.460 -0.016 0.000 0.939 34 Y HN 0.481 nan 8.280 nan 0.000 0.504 35 R N 1.776 122.208 120.500 -0.113 0.000 2.191 35 R HA -0.169 4.149 4.340 -0.037 0.000 0.248 35 R C -0.232 176.098 176.300 0.050 0.000 1.127 35 R CA 2.385 58.492 56.100 0.012 0.000 0.943 35 R CB -1.520 28.673 30.300 -0.179 0.000 0.891 35 R HN 0.520 nan 8.270 nan 0.000 0.439 36 T N 1.017 115.570 114.554 -0.002 0.000 2.809 36 T HA 0.389 4.716 4.350 -0.037 0.000 0.284 36 T C 0.403 175.130 174.700 0.044 0.000 0.992 36 T CA -0.617 61.499 62.100 0.026 0.000 0.957 36 T CB 1.526 70.395 68.868 0.002 0.000 0.942 36 T HN 0.181 nan 8.240 nan 0.000 0.439 37 L N 1.749 123.020 121.223 0.080 0.000 2.834 37 L HA 0.061 4.379 4.340 -0.037 0.000 0.252 37 L C 1.000 177.901 176.870 0.053 0.000 1.152 37 L CA 0.628 55.529 54.840 0.102 0.000 0.898 37 L CB -0.842 41.292 42.059 0.124 0.000 1.078 37 L HN 0.436 nan 8.230 nan 0.000 0.439 38 K N 0.366 120.787 120.400 0.034 0.000 2.098 38 K HA 0.327 4.624 4.320 -0.037 0.000 0.257 38 K C -2.197 174.431 176.600 0.047 0.000 0.999 38 K CA -1.970 54.332 56.287 0.025 0.000 0.924 38 K CB 0.444 32.953 32.500 0.016 0.000 1.028 38 K HN -0.203 nan 8.250 nan 0.000 0.466 39 P HA -0.098 nan 4.420 nan 0.000 0.266 39 P C -0.098 177.249 177.300 0.080 0.000 1.193 39 P CA 0.213 63.397 63.100 0.139 0.000 0.770 39 P CB 0.617 32.414 31.700 0.162 0.000 0.836 40 E N 2.867 123.108 120.200 0.069 0.000 3.381 40 E HA -0.014 4.313 4.350 -0.037 0.000 0.509 40 E C 1.237 177.841 176.600 0.006 0.000 0.319 40 E CA 0.766 57.174 56.400 0.014 0.000 3.013 40 E CB -0.182 29.511 29.700 -0.011 0.000 2.197 40 E HN 0.371 nan 8.360 nan 0.000 0.410 41 R N -0.012 120.481 120.500 -0.010 0.000 1.128 41 R HA 0.229 4.547 4.340 -0.037 0.000 0.078 41 R C 1.252 177.547 176.300 -0.009 0.000 0.715 41 R CA 0.269 56.360 56.100 -0.013 0.000 2.061 41 R CB -0.920 29.364 30.300 -0.025 0.000 0.798 41 R HN 0.169 nan 8.270 nan 0.000 0.757 42 D N 0.826 121.212 120.400 -0.024 0.000 2.392 42 D HA 0.013 4.631 4.640 -0.037 0.000 0.228 42 D C 0.967 177.248 176.300 -0.031 0.000 1.003 42 D CA 0.895 54.877 54.000 -0.031 0.000 0.917 42 D CB -0.754 40.016 40.800 -0.051 0.000 0.890 42 D HN 0.583 nan 8.370 nan 0.000 0.532 43 G N 0.843 109.621 108.800 -0.037 0.000 2.902 43 G HA2 -0.055 3.883 3.960 -0.037 0.000 0.240 43 G HA3 -0.055 3.883 3.960 -0.037 0.000 0.240 43 G C 1.435 176.292 174.900 -0.072 0.000 1.244 43 G CA -0.480 44.576 45.100 -0.073 0.000 0.862 43 G HN 0.159 nan 8.290 nan 0.000 0.603 44 L N -0.570 120.524 121.223 -0.215 0.000 2.054 44 L HA -0.175 4.143 4.340 -0.037 0.000 0.220 44 L C 0.865 177.613 176.870 -0.203 0.000 1.081 44 L CA 1.193 55.840 54.840 -0.322 0.000 0.780 44 L CB -0.611 40.997 42.059 -0.751 0.000 0.893 44 L HN 0.280 nan 8.230 nan 0.000 0.438 45 F N 0.038 119.986 119.950 -0.003 0.000 2.411 45 F HA 0.457 4.962 4.527 -0.037 0.000 0.355 45 F C -0.149 175.695 175.800 0.074 0.000 1.117 45 F CA -1.353 56.648 58.000 0.001 0.000 1.139 45 F CB 0.721 39.695 39.000 -0.043 0.000 1.120 45 F HN -0.094 nan 8.300 nan 0.000 0.493 46 D N 1.672 122.276 120.400 0.339 0.000 2.726 46 D HA 0.136 4.754 4.640 -0.037 0.000 0.203 46 D C 0.553 176.957 176.300 0.175 0.000 1.297 46 D CA -0.253 53.866 54.000 0.199 0.000 0.863 46 D CB 1.141 42.018 40.800 0.127 0.000 1.669 46 D HN 0.336 nan 8.370 nan 0.000 0.561 47 E N 2.440 122.699 120.200 0.098 0.000 2.086 47 E HA -0.282 4.046 4.350 -0.037 0.000 0.205 47 E C 1.698 178.311 176.600 0.021 0.000 1.027 47 E CA 1.184 57.617 56.400 0.054 0.000 0.830 47 E CB -0.148 29.568 29.700 0.026 0.000 0.751 47 E HN 0.577 nan 8.360 nan 0.000 0.456 48 R N 0.759 121.261 120.500 0.002 0.000 2.096 48 R HA -0.125 4.193 4.340 -0.037 0.000 0.229 48 R C 2.659 178.913 176.300 -0.077 0.000 1.134 48 R CA 1.696 57.779 56.100 -0.030 0.000 0.917 48 R CB -0.478 29.806 30.300 -0.026 0.000 0.832 48 R HN 0.129 nan 8.270 nan 0.000 0.430 49 I N -0.366 120.135 120.570 -0.115 0.000 2.248 49 I HA -0.285 3.863 4.170 -0.037 0.000 0.248 49 I C 1.376 177.179 176.117 -0.524 0.000 1.107 49 I CA 1.620 62.725 61.300 -0.325 0.000 1.373 49 I CB -0.067 37.684 38.000 -0.416 0.000 1.055 49 I HN 0.271 nan 8.210 nan 0.000 0.418 50 F N -0.751 119.152 119.950 -0.077 0.000 2.834 50 F HA 0.404 4.909 4.527 -0.037 0.000 0.332 50 F C 0.904 176.596 175.800 -0.180 0.000 1.056 50 F CA 0.328 58.251 58.000 -0.128 0.000 1.178 50 F CB 1.151 40.126 39.000 -0.041 0.000 1.037 50 F HN 0.028 nan 8.300 nan 0.000 0.580 51 G N 0.207 109.022 108.800 0.025 0.000 2.340 51 G HA2 0.109 4.047 3.960 -0.037 0.000 0.527 51 G HA3 0.109 4.047 3.960 -0.037 0.000 0.527 51 G C -3.113 171.778 174.900 -0.014 0.000 1.381 51 G CA -1.373 43.704 45.100 -0.038 0.000 1.001 51 G HN -0.255 nan 8.290 nan 0.000 0.626 52 P HA 0.391 nan 4.420 nan 0.000 0.285 52 P C 0.905 178.187 177.300 -0.031 0.000 1.282 52 P CA -0.122 62.961 63.100 -0.028 0.000 0.778 52 P CB 0.597 32.274 31.700 -0.038 0.000 1.222 53 I N -2.934 117.619 120.570 -0.028 0.000 4.433 53 I HA 0.231 4.378 4.170 -0.037 0.000 0.322 53 I C 0.586 176.682 176.117 -0.036 0.000 1.284 53 I CA 0.919 62.196 61.300 -0.039 0.000 1.269 53 I CB 0.128 38.109 38.000 -0.031 0.000 1.219 53 I HN -0.026 nan 8.210 nan 0.000 0.436 54 K N 0.856 121.244 120.400 -0.019 0.000 2.526 54 K HA 0.234 4.532 4.320 -0.037 0.000 0.256 54 K C 0.146 176.745 176.600 -0.000 0.000 1.035 54 K CA -0.161 56.123 56.287 -0.005 0.000 1.011 54 K CB 0.728 33.236 32.500 0.013 0.000 1.343 54 K HN -0.047 nan 8.250 nan 0.000 0.510 55 D N -0.123 120.296 120.400 0.032 0.000 1.872 55 D HA -0.153 4.464 4.640 -0.037 0.000 0.274 55 D C 1.286 177.633 176.300 0.078 0.000 1.117 55 D CA 1.757 55.798 54.000 0.068 0.000 0.998 55 D CB -0.247 40.624 40.800 0.118 0.000 1.521 55 D HN 0.437 nan 8.370 nan 0.000 0.549 56 Y N -0.017 120.293 120.300 0.016 0.000 2.458 56 Y HA 0.232 4.760 4.550 -0.037 0.000 0.256 56 Y C 0.191 176.112 175.900 0.035 0.000 1.159 56 Y CA -0.068 58.049 58.100 0.028 0.000 1.261 56 Y CB 0.490 38.972 38.460 0.037 0.000 1.119 56 Y HN -0.044 nan 8.280 nan 0.000 0.524 57 E N -0.984 119.310 120.200 0.157 0.000 2.312 57 E HA 0.180 4.508 4.350 -0.037 0.000 0.259 57 E C -0.365 176.276 176.600 0.069 0.000 1.122 57 E CA -0.331 56.134 56.400 0.109 0.000 0.922 57 E CB 0.726 30.472 29.700 0.077 0.000 1.109 57 E HN 0.104 nan 8.360 nan 0.000 0.442 58 C N -0.116 119.224 119.300 0.068 0.000 2.478 58 C HA 0.673 5.110 4.460 -0.037 0.000 0.379 58 C C 1.732 176.742 174.990 0.033 0.000 1.470 58 C CA 0.231 59.277 59.018 0.048 0.000 2.066 58 C CB 0.376 28.160 27.740 0.073 0.000 2.001 58 C HN 0.821 nan 8.230 nan 0.000 0.550 59 A N 0.011 122.845 122.820 0.025 0.000 1.874 59 A HA -0.051 4.247 4.320 -0.037 0.000 0.214 59 A C 2.121 179.717 177.584 0.020 0.000 1.189 59 A CA 1.971 54.018 52.037 0.018 0.000 0.615 59 A CB -1.212 17.797 19.000 0.013 0.000 0.830 59 A HN 1.238 nan 8.150 nan 0.000 0.443 60 C N -3.340 115.976 119.300 0.026 0.000 2.507 60 C HA 0.548 4.985 4.460 -0.037 0.000 0.280 60 C C 1.997 176.999 174.990 0.020 0.000 1.345 60 C CA 0.672 59.703 59.018 0.021 0.000 1.736 60 C CB -0.219 27.535 27.740 0.024 0.000 2.060 60 C HN 1.585 nan 8.230 nan 0.000 0.498 61 G N 0.633 109.455 108.800 0.036 0.000 2.175 61 G HA2 -0.164 3.774 3.960 -0.037 0.000 0.182 61 G HA3 -0.164 3.774 3.960 -0.037 0.000 0.182 61 G C 0.751 175.653 174.900 0.003 0.000 1.003 61 G CA 0.269 45.383 45.100 0.024 0.000 0.666 61 G HN 0.351 nan 8.290 nan 0.000 0.506 62 K N -0.628 119.791 120.400 0.032 0.000 2.211 62 K HA -0.012 4.286 4.320 -0.037 0.000 0.204 62 K C 0.243 176.648 176.600 -0.326 0.000 1.047 62 K CA 1.162 57.397 56.287 -0.087 0.000 0.935 62 K CB -0.150 32.383 32.500 0.055 0.000 0.728 62 K HN 0.580 nan 8.250 nan 0.000 0.452 63 Y N -0.658 119.567 120.300 -0.125 0.000 2.492 63 Y HA 0.289 4.817 4.550 -0.037 0.000 0.346 63 Y C 0.658 176.518 175.900 -0.066 0.000 0.997 63 Y CA -0.964 57.034 58.100 -0.171 0.000 1.025 63 Y CB 2.012 40.350 38.460 -0.203 0.000 1.263 63 Y HN -0.239 nan 8.280 nan 0.000 0.454 64 K N 0.701 121.160 120.400 0.098 0.000 2.608 64 K HA 0.258 4.556 4.320 -0.037 0.000 0.209 64 K C 0.162 176.839 176.600 0.129 0.000 1.369 64 K CA -0.299 56.050 56.287 0.104 0.000 1.029 64 K CB 1.314 33.842 32.500 0.047 0.000 1.139 64 K HN 0.431 nan 8.250 nan 0.000 0.623 65 R N 0.677 121.268 120.500 0.153 0.000 3.006 65 R HA 0.249 4.566 4.340 -0.037 0.000 0.235 65 R C 1.067 177.489 176.300 0.204 0.000 1.362 65 R CA -0.278 55.893 56.100 0.118 0.000 1.067 65 R CB 0.690 31.040 30.300 0.083 0.000 1.396 65 R HN -0.124 nan 8.270 nan 0.000 0.504 66 Q N 0.358 120.159 119.800 0.001 0.000 2.119 66 Q HA -0.162 4.156 4.340 -0.037 0.000 0.201 66 Q C 1.668 177.784 176.000 0.194 0.000 0.972 66 Q CA 1.233 57.052 55.803 0.027 0.000 0.847 66 Q CB -0.255 28.317 28.738 -0.278 0.000 0.903 66 Q HN 0.349 nan 8.270 nan 0.000 0.433 67 R N 1.181 121.780 120.500 0.166 0.000 2.159 67 R HA -0.179 4.139 4.340 -0.037 0.000 0.249 67 R C 0.442 176.793 176.300 0.085 0.000 1.136 67 R CA 1.457 57.636 56.100 0.133 0.000 0.951 67 R CB -0.605 29.825 30.300 0.217 0.000 0.876 67 R HN 0.127 nan 8.270 nan 0.000 0.440 68 F N 1.067 121.095 119.950 0.129 0.000 2.606 68 F HA 0.201 4.705 4.527 -0.037 0.000 0.347 68 F C 1.288 177.152 175.800 0.106 0.000 1.207 68 F CA -0.243 57.831 58.000 0.123 0.000 1.306 68 F CB 0.372 39.492 39.000 0.199 0.000 1.657 68 F HN 0.232 nan 8.300 nan 0.000 0.606 69 E N 1.275 121.593 120.200 0.197 0.000 2.072 69 E HA -0.054 4.273 4.350 -0.037 0.000 0.191 69 E C 1.942 178.590 176.600 0.079 0.000 0.985 69 E CA 1.367 57.871 56.400 0.172 0.000 0.801 69 E CB -0.027 29.762 29.700 0.148 0.000 0.750 69 E HN 0.454 nan 8.360 nan 0.000 0.452 70 G N -0.002 108.829 108.800 0.050 0.000 4.250 70 G HA2 0.235 4.173 3.960 -0.037 0.000 0.295 70 G HA3 0.235 4.173 3.960 -0.037 0.000 0.295 70 G C -0.618 174.288 174.900 0.009 0.000 1.081 70 G CA -0.511 44.600 45.100 0.018 0.000 0.854 70 G HN -0.042 nan 8.290 nan 0.000 0.524 71 K N 0.067 120.478 120.400 0.019 0.000 2.259 71 K HA 0.613 4.910 4.320 -0.037 0.000 0.249 71 K C -0.962 175.574 176.600 -0.107 0.000 0.942 71 K CA -0.790 55.491 56.287 -0.010 0.000 0.816 71 K CB 3.243 35.778 32.500 0.059 0.000 1.155 71 K HN -0.030 nan 8.250 nan 0.000 0.428 72 V N 1.876 121.716 119.914 -0.124 0.000 2.743 72 V HA 0.166 4.264 4.120 -0.037 0.000 0.301 72 V C -0.142 175.771 176.094 -0.301 0.000 1.057 72 V CA -0.641 61.555 62.300 -0.173 0.000 1.006 72 V CB 1.421 33.195 31.823 -0.082 0.000 1.024 72 V HN 1.002 nan 8.190 nan 0.000 0.473 73 C N 4.820 123.933 119.300 -0.313 0.000 2.676 73 C HA 0.205 4.643 4.460 -0.037 0.000 0.416 73 C C 1.716 176.685 174.990 -0.035 0.000 1.299 73 C CA 0.130 58.999 59.018 -0.248 0.000 2.048 73 C CB -0.259 27.433 27.740 -0.081 0.000 2.713 73 C HN 1.081 nan 8.230 nan 0.000 0.624 74 E N 1.691 121.948 120.200 0.096 0.000 2.006 74 E HA -0.140 4.188 4.350 -0.037 0.000 0.192 74 E C 1.860 178.491 176.600 0.052 0.000 0.993 74 E CA 1.328 57.778 56.400 0.085 0.000 0.808 74 E CB -0.035 29.740 29.700 0.124 0.000 0.764 74 E HN 0.588 nan 8.360 nan 0.000 0.449 75 R N -0.394 120.141 120.500 0.058 0.000 2.297 75 R HA 0.093 4.411 4.340 -0.037 0.000 0.197 75 R C 0.169 176.484 176.300 0.024 0.000 0.943 75 R CA 0.197 56.317 56.100 0.034 0.000 1.038 75 R CB -0.024 30.294 30.300 0.031 0.000 0.957 75 R HN 0.249 nan 8.270 nan 0.000 0.484 76 C N -2.227 117.088 119.300 0.025 0.000 3.090 76 C HA 0.770 5.208 4.460 -0.037 0.000 0.347 76 C C 0.143 175.132 174.990 -0.002 0.000 1.147 76 C CA -1.195 57.830 59.018 0.012 0.000 1.305 76 C CB 1.272 29.022 27.740 0.017 0.000 1.692 76 C HN 0.346 nan 8.230 nan 0.000 0.506 77 G N 2.383 111.178 108.800 -0.009 0.000 2.338 77 G HA2 0.582 4.520 3.960 -0.037 0.000 0.295 77 G HA3 0.582 4.520 3.960 -0.037 0.000 0.295 77 G C -0.829 174.055 174.900 -0.028 0.000 1.132 77 G CA -0.262 44.825 45.100 -0.022 0.000 0.922 77 G HN 1.451 nan 8.290 nan 0.000 0.427 78 V N 3.396 123.283 119.914 -0.046 0.000 2.707 78 V HA 0.165 4.262 4.120 -0.037 0.000 0.271 78 V C 0.039 176.094 176.094 -0.065 0.000 1.013 78 V CA -0.872 61.401 62.300 -0.046 0.000 0.908 78 V CB 1.211 33.018 31.823 -0.026 0.000 1.051 78 V HN 0.941 nan 8.190 nan 0.000 0.476 79 E N 2.980 123.144 120.200 -0.061 0.000 2.342 79 E HA 0.705 5.033 4.350 -0.037 0.000 0.257 79 E C -1.391 175.169 176.600 -0.066 0.000 1.150 79 E CA -0.268 56.096 56.400 -0.060 0.000 0.926 79 E CB 2.164 31.837 29.700 -0.045 0.000 1.074 79 E HN 0.407 nan 8.360 nan 0.000 0.449 80 V N 1.143 121.011 119.914 -0.078 0.000 3.098 80 V HA 0.478 4.575 4.120 -0.037 0.000 0.294 80 V C -1.609 174.319 176.094 -0.277 0.000 1.351 80 V CA -0.159 62.059 62.300 -0.137 0.000 0.999 80 V CB 2.601 34.369 31.823 -0.091 0.000 1.104 80 V HN 0.886 nan 8.190 nan 0.000 0.438 81 T N 4.618 118.959 114.554 -0.355 0.000 2.977 81 T HA 0.343 4.670 4.350 -0.037 0.000 0.345 81 T C -1.125 173.389 174.700 -0.310 0.000 1.562 81 T CA -0.981 60.820 62.100 -0.499 0.000 1.090 81 T CB 1.684 70.390 68.868 -0.270 0.000 1.383 81 T HN 0.812 nan 8.240 nan 0.000 0.484 82 K N 1.055 121.296 120.400 -0.266 0.000 2.580 82 K HA 0.013 4.311 4.320 -0.037 0.000 0.278 82 K C 1.347 177.890 176.600 -0.095 0.000 0.960 82 K CA 0.187 56.407 56.287 -0.111 0.000 0.988 82 K CB 0.112 32.591 32.500 -0.034 0.000 0.887 82 K HN 0.588 nan 8.250 nan 0.000 0.509 83 S N 1.242 116.895 115.700 -0.080 0.000 2.474 83 S HA -0.272 4.176 4.470 -0.037 0.000 0.261 83 S C 1.805 176.326 174.600 -0.131 0.000 1.099 83 S CA 2.015 60.158 58.200 -0.094 0.000 1.048 83 S CB -0.938 62.209 63.200 -0.089 0.000 0.851 83 S HN 0.727 nan 8.310 nan 0.000 0.480 84 I N 0.542 121.032 120.570 -0.135 0.000 2.194 84 I HA -0.212 3.935 4.170 -0.037 0.000 0.246 84 I C 2.182 178.152 176.117 -0.244 0.000 1.093 84 I CA 1.840 63.004 61.300 -0.226 0.000 1.355 84 I CB -1.066 36.869 38.000 -0.110 0.000 1.046 84 I HN 0.293 nan 8.210 nan 0.000 0.413 85 V N -0.057 119.812 119.914 -0.075 0.000 2.392 85 V HA -0.264 3.834 4.120 -0.037 0.000 0.249 85 V C 2.816 178.874 176.094 -0.060 0.000 1.059 85 V CA 2.195 64.494 62.300 -0.000 0.000 1.051 85 V CB -1.412 30.399 31.823 -0.020 0.000 0.658 85 V HN 0.545 nan 8.190 nan 0.000 0.455 86 R N 1.327 121.770 120.500 -0.095 0.000 2.200 86 R HA -0.199 4.118 4.340 -0.037 0.000 0.234 86 R C 2.449 178.687 176.300 -0.103 0.000 1.127 86 R CA 1.750 57.809 56.100 -0.068 0.000 0.989 86 R CB -0.100 30.154 30.300 -0.077 0.000 0.869 86 R HN 0.837 nan 8.270 nan 0.000 0.459 87 R N -1.097 119.272 120.500 -0.219 0.000 2.040 87 R HA -0.074 4.244 4.340 -0.037 0.000 0.219 87 R C 1.812 178.035 176.300 -0.128 0.000 1.216 87 R CA 1.404 57.342 56.100 -0.271 0.000 0.952 87 R CB -1.363 28.641 30.300 -0.492 0.000 0.833 87 R HN 0.182 nan 8.270 nan 0.000 0.456 88 Y N 1.309 121.613 120.300 0.005 0.000 2.387 88 Y HA -0.211 4.317 4.550 -0.037 0.000 0.280 88 Y C 0.842 176.786 175.900 0.073 0.000 1.196 88 Y CA 0.464 58.578 58.100 0.024 0.000 1.322 88 Y CB -0.392 38.074 38.460 0.011 0.000 0.970 88 Y HN 0.068 nan 8.280 nan 0.000 0.564 89 R N 0.343 120.975 120.500 0.219 0.000 2.528 89 R HA 0.490 4.807 4.340 -0.037 0.000 0.271 89 R C -0.396 176.164 176.300 0.433 0.000 1.056 89 R CA -0.192 56.058 56.100 0.250 0.000 1.117 89 R CB 0.753 30.989 30.300 -0.106 0.000 1.085 89 R HN 0.058 nan 8.270 nan 0.000 0.530 90 M N 0.195 120.119 119.600 0.540 0.000 2.530 90 M HA 0.430 4.888 4.480 -0.037 0.000 0.307 90 M C -0.020 176.536 176.300 0.427 0.000 1.161 90 M CA -0.712 54.922 55.300 0.556 0.000 0.903 90 M CB 2.605 35.453 32.600 0.414 0.000 1.711 90 M HN 0.779 nan 8.290 nan 0.000 0.451 91 G N 0.239 109.239 108.800 0.333 0.000 2.667 91 G HA2 0.775 4.713 3.960 -0.037 0.000 0.310 91 G HA3 0.775 4.713 3.960 -0.037 0.000 0.310 91 G C -1.514 173.494 174.900 0.180 0.000 1.259 91 G CA -0.323 44.752 45.100 -0.043 0.000 1.019 91 G HN 0.844 nan 8.290 nan 0.000 0.496 92 H N -1.556 117.500 119.070 -0.022 0.000 2.894 92 H HA 0.513 5.047 4.556 -0.037 0.000 0.367 92 H C -1.591 173.721 175.328 -0.027 0.000 1.144 92 H CA -0.964 55.083 56.048 -0.003 0.000 1.180 92 H CB 1.472 31.209 29.762 -0.042 0.000 1.758 92 H HN 0.341 nan 8.280 nan 0.000 0.541 93 I N 2.014 122.569 120.570 -0.024 0.000 2.359 93 I HA 0.075 4.223 4.170 -0.037 0.000 0.294 93 I C 0.096 176.214 176.117 0.002 0.000 0.987 93 I CA -0.659 60.596 61.300 -0.075 0.000 1.225 93 I CB 1.626 39.624 38.000 -0.003 0.000 1.366 93 I HN 0.504 nan 8.210 nan 0.000 0.466 94 E N 6.580 126.763 120.200 -0.027 0.000 1.996 94 E HA 0.316 4.644 4.350 -0.037 0.000 0.280 94 E C -0.921 175.676 176.600 -0.005 0.000 1.092 94 E CA -0.450 55.963 56.400 0.022 0.000 0.862 94 E CB 0.351 30.062 29.700 0.019 0.000 1.066 94 E HN 0.330 nan 8.360 nan 0.000 0.396 95 L N 3.154 124.374 121.223 -0.005 0.000 2.483 95 L HA 0.147 4.465 4.340 -0.037 0.000 0.276 95 L C 1.459 178.315 176.870 -0.022 0.000 1.213 95 L CA 0.563 55.392 54.840 -0.017 0.000 0.843 95 L CB 0.721 42.765 42.059 -0.025 0.000 1.107 95 L HN 0.711 nan 8.230 nan 0.000 0.487 96 A N 2.062 124.868 122.820 -0.024 0.000 1.821 96 A HA -0.002 4.296 4.320 -0.037 0.000 0.215 96 A C 0.809 178.374 177.584 -0.031 0.000 1.214 96 A CA 1.360 53.382 52.037 -0.026 0.000 0.608 96 A CB -0.382 18.604 19.000 -0.024 0.000 0.862 96 A HN 0.672 nan 8.150 nan 0.000 0.448 97 T N 1.340 115.872 114.554 -0.037 0.000 2.833 97 T HA 0.527 4.854 4.350 -0.037 0.000 0.297 97 T C -2.729 171.936 174.700 -0.059 0.000 1.015 97 T CA -1.100 60.972 62.100 -0.046 0.000 0.963 97 T CB 1.296 70.134 68.868 -0.049 0.000 0.955 97 T HN 0.087 nan 8.240 nan 0.000 0.449 98 P HA 0.071 nan 4.420 nan 0.000 0.269 98 P C -0.871 176.367 177.300 -0.104 0.000 1.153 98 P CA 0.434 63.490 63.100 -0.072 0.000 0.754 98 P CB 0.298 31.958 31.700 -0.068 0.000 0.758 99 A N 1.914 124.672 122.820 -0.104 0.000 2.479 99 A HA 0.840 5.138 4.320 -0.037 0.000 0.296 99 A C -0.931 176.580 177.584 -0.121 0.000 1.121 99 A CA -0.161 51.794 52.037 -0.136 0.000 0.743 99 A CB 1.917 20.854 19.000 -0.104 0.000 1.323 99 A HN 0.544 nan 8.150 nan 0.000 0.415 100 A N -0.155 122.581 122.820 -0.140 0.000 2.355 100 A HA 0.642 4.940 4.320 -0.037 0.000 0.324 100 A C -0.346 177.283 177.584 0.074 0.000 1.117 100 A CA -0.502 51.510 52.037 -0.043 0.000 0.785 100 A CB 0.336 19.278 19.000 -0.097 0.000 1.254 100 A HN 1.026 nan 8.150 nan 0.000 0.453 101 H N 1.880 120.940 119.070 -0.017 0.000 3.091 101 H HA 0.108 4.641 4.556 -0.037 0.000 0.289 101 H C 1.046 176.418 175.328 0.074 0.000 0.995 101 H CA -0.054 55.966 56.048 -0.047 0.000 1.461 101 H CB 0.326 29.967 29.762 -0.201 0.000 1.510 101 H HN 0.677 nan 8.280 nan 0.000 0.546 102 I N 5.150 125.918 120.570 0.329 0.000 2.264 102 I HA -0.337 3.810 4.170 -0.037 0.000 0.248 102 I C 1.315 177.565 176.117 0.223 0.000 1.111 102 I CA 0.920 62.394 61.300 0.289 0.000 1.382 102 I CB -0.070 38.115 38.000 0.308 0.000 1.060 102 I HN 0.774 nan 8.210 nan 0.000 0.418 103 W N 0.608 121.709 121.300 -0.332 0.000 2.308 103 W HA -0.254 4.383 4.660 -0.037 0.000 0.301 103 W C 2.108 178.595 176.519 -0.053 0.000 1.220 103 W CA 1.566 58.659 57.345 -0.420 0.000 1.240 103 W CB -0.818 28.002 29.460 -1.067 0.000 1.142 103 W HN 0.134 nan 8.180 nan 0.000 0.521 104 F N -1.948 118.021 119.950 0.033 0.000 2.727 104 F HA 0.038 4.542 4.527 -0.037 0.000 0.302 104 F C 1.494 177.362 175.800 0.114 0.000 1.097 104 F CA -0.308 57.737 58.000 0.076 0.000 1.330 104 F CB 0.038 39.122 39.000 0.140 0.000 1.084 104 F HN -0.345 nan 8.300 nan 0.000 0.578 105 V N -0.918 119.187 119.914 0.319 0.000 3.048 105 V HA 0.005 4.102 4.120 -0.037 0.000 0.241 105 V C 1.511 177.703 176.094 0.164 0.000 1.129 105 V CA 0.882 63.355 62.300 0.287 0.000 1.128 105 V CB 0.052 32.119 31.823 0.405 0.000 0.849 105 V HN 0.032 nan 8.190 nan 0.000 0.475 106 K N 0.464 120.947 120.400 0.139 0.000 2.399 106 K HA 0.247 4.545 4.320 -0.037 0.000 0.204 106 K C -0.096 176.494 176.600 -0.017 0.000 1.023 106 K CA -0.140 56.183 56.287 0.060 0.000 1.127 106 K CB 0.023 32.571 32.500 0.080 0.000 0.856 106 K HN 0.440 nan 8.250 nan 0.000 0.514 107 D N 0.595 120.973 120.400 -0.036 0.000 2.383 107 D HA 0.017 4.635 4.640 -0.037 0.000 0.252 107 D C 1.481 177.679 176.300 -0.170 0.000 1.166 107 D CA -0.068 53.831 54.000 -0.168 0.000 0.879 107 D CB 1.067 41.750 40.800 -0.194 0.000 1.164 107 D HN -0.249 nan 8.370 nan 0.000 0.462 108 V N 4.343 124.132 119.914 -0.209 0.000 2.258 108 V HA -0.232 3.866 4.120 -0.037 0.000 0.259 108 V C -1.207 174.818 176.094 -0.115 0.000 1.076 108 V CA 1.685 63.896 62.300 -0.149 0.000 1.084 108 V CB -1.804 29.925 31.823 -0.157 0.000 0.706 108 V HN 0.761 nan 8.190 nan 0.000 0.461 109 P HA 0.239 nan 4.420 nan 0.000 0.256 109 P C -0.251 177.016 177.300 -0.055 0.000 1.689 109 P CA 0.161 63.217 63.100 -0.073 0.000 1.124 109 P CB 0.533 32.201 31.700 -0.054 0.000 1.766 110 S N 3.742 119.424 115.700 -0.030 0.000 3.184 110 S HA -0.089 4.359 4.470 -0.037 0.000 0.376 110 S C 1.489 176.110 174.600 0.035 0.000 1.163 110 S CA -0.023 58.186 58.200 0.016 0.000 1.314 110 S CB -0.185 63.025 63.200 0.018 0.000 0.962 110 S HN 0.123 nan 8.310 nan 0.000 0.543 111 K N 3.909 124.328 120.400 0.032 0.000 2.286 111 K HA -0.132 4.166 4.320 -0.037 0.000 0.203 111 K C 1.541 178.198 176.600 0.094 0.000 1.045 111 K CA 1.063 57.354 56.287 0.007 0.000 0.935 111 K CB -0.398 32.015 32.500 -0.146 0.000 0.737 111 K HN 0.762 nan 8.250 nan 0.000 0.460 112 I N -0.235 120.424 120.570 0.147 0.000 2.585 112 I HA 0.016 4.163 4.170 -0.037 0.000 0.254 112 I C 1.881 178.075 176.117 0.128 0.000 1.129 112 I CA 1.046 62.450 61.300 0.173 0.000 1.455 112 I CB -0.303 37.860 38.000 0.272 0.000 1.111 112 I HN 0.058 nan 8.210 nan 0.000 0.433 113 G N -0.574 108.283 108.800 0.093 0.000 2.448 113 G HA2 -0.159 3.778 3.960 -0.037 0.000 0.218 113 G HA3 -0.159 3.778 3.960 -0.037 0.000 0.218 113 G C 1.461 176.384 174.900 0.037 0.000 1.135 113 G CA 1.177 46.305 45.100 0.048 0.000 0.784 113 G HN 0.392 nan 8.290 nan 0.000 0.543 114 T N 1.240 115.818 114.554 0.040 0.000 2.639 114 T HA -0.091 4.236 4.350 -0.037 0.000 0.261 114 T C 2.154 176.882 174.700 0.046 0.000 1.053 114 T CA 1.087 63.206 62.100 0.033 0.000 1.158 114 T CB -0.348 68.536 68.868 0.027 0.000 0.863 114 T HN 0.095 nan 8.240 nan 0.000 0.413 115 L N 1.227 122.493 121.223 0.072 0.000 1.924 115 L HA 0.055 4.373 4.340 -0.037 0.000 0.222 115 L C 0.709 177.602 176.870 0.038 0.000 1.081 115 L CA 1.589 56.472 54.840 0.071 0.000 0.780 115 L CB -1.044 41.073 42.059 0.096 0.000 0.891 115 L HN 0.269 nan 8.230 nan 0.000 0.434 116 L N 1.809 123.055 121.223 0.038 0.000 2.678 116 L HA -0.041 4.277 4.340 -0.037 0.000 0.276 116 L C -0.191 176.700 176.870 0.035 0.000 1.142 116 L CA -0.008 54.851 54.840 0.032 0.000 0.961 116 L CB -0.686 41.404 42.059 0.052 0.000 1.291 116 L HN 0.285 nan 8.230 nan 0.000 0.476 117 D N 3.863 124.278 120.400 0.024 0.000 2.479 117 D HA 0.235 4.853 4.640 -0.037 0.000 0.253 117 D C -0.569 175.744 176.300 0.021 0.000 1.278 117 D CA 0.238 54.251 54.000 0.021 0.000 1.145 117 D CB 0.070 40.880 40.800 0.016 0.000 1.118 117 D HN 0.105 nan 8.370 nan 0.000 0.513 118 L N 0.787 122.024 121.223 0.023 0.000 2.309 118 L HA 0.380 4.697 4.340 -0.037 0.000 0.261 118 L C 0.480 177.352 176.870 0.003 0.000 1.021 118 L CA -0.951 53.902 54.840 0.021 0.000 0.823 118 L CB 1.507 43.590 42.059 0.040 0.000 1.366 118 L HN -0.060 nan 8.230 nan 0.000 0.423 119 S N 1.572 117.268 115.700 -0.005 0.000 2.808 119 S HA 0.027 4.475 4.470 -0.037 0.000 0.342 119 S C 1.619 176.197 174.600 -0.037 0.000 1.154 119 S CA 0.307 58.495 58.200 -0.019 0.000 1.476 119 S CB -0.295 62.891 63.200 -0.023 0.000 1.290 119 S HN 0.765 nan 8.310 nan 0.000 0.582 120 A N 4.150 126.954 122.820 -0.027 0.000 2.004 120 A HA -0.311 3.986 4.320 -0.037 0.000 0.229 120 A C 2.076 179.628 177.584 -0.053 0.000 1.455 120 A CA 2.818 54.838 52.037 -0.029 0.000 0.709 120 A CB -0.953 18.034 19.000 -0.022 0.000 0.835 120 A HN 0.704 nan 8.150 nan 0.000 0.514 121 T N -3.209 111.309 114.554 -0.060 0.000 2.980 121 T HA 0.163 4.490 4.350 -0.037 0.000 0.252 121 T C 1.526 176.174 174.700 -0.087 0.000 0.962 121 T CA 0.447 62.503 62.100 -0.073 0.000 0.932 121 T CB 0.300 69.135 68.868 -0.055 0.000 1.188 121 T HN 0.552 nan 8.240 nan 0.000 0.500 122 E N 1.088 121.245 120.200 -0.073 0.000 2.162 122 E HA 0.228 4.555 4.350 -0.037 0.000 0.193 122 E C 2.013 178.569 176.600 -0.073 0.000 0.953 122 E CA 0.137 56.496 56.400 -0.069 0.000 0.849 122 E CB 0.033 29.702 29.700 -0.051 0.000 0.810 122 E HN 0.211 nan 8.360 nan 0.000 0.470 123 L N 2.081 123.266 121.223 -0.063 0.000 1.978 123 L HA -0.288 4.030 4.340 -0.037 0.000 0.218 123 L C 2.261 179.086 176.870 -0.075 0.000 1.075 123 L CA 1.861 56.678 54.840 -0.039 0.000 0.767 123 L CB -0.181 41.868 42.059 -0.016 0.000 0.890 123 L HN 0.102 nan 8.230 nan 0.000 0.434 124 E N -0.874 119.180 120.200 -0.243 0.000 2.026 124 E HA -0.399 3.929 4.350 -0.037 0.000 0.206 124 E C 2.074 178.436 176.600 -0.396 0.000 1.028 124 E CA 1.819 57.786 56.400 -0.722 0.000 0.845 124 E CB -0.377 28.540 29.700 -1.306 0.000 0.772 124 E HN 0.448 nan 8.360 nan 0.000 0.462 125 Q N 0.775 120.433 119.800 -0.236 0.000 2.224 125 Q HA -0.225 4.092 4.340 -0.037 0.000 0.213 125 Q C 2.020 178.109 176.000 0.148 0.000 0.998 125 Q CA 1.872 57.704 55.803 0.049 0.000 0.895 125 Q CB -0.290 28.430 28.738 -0.030 0.000 0.926 125 Q HN 0.188 nan 8.270 nan 0.000 0.417 126 V N -0.212 119.745 119.914 0.071 0.000 2.323 126 V HA -0.190 3.907 4.120 -0.037 0.000 0.244 126 V C 2.037 178.307 176.094 0.293 0.000 1.041 126 V CA 1.657 64.016 62.300 0.099 0.000 1.025 126 V CB -0.581 31.248 31.823 0.011 0.000 0.656 126 V HN 0.606 nan 8.190 nan 0.000 0.451 127 L N -2.488 118.902 121.223 0.278 0.000 2.221 127 L HA 0.135 4.453 4.340 -0.037 0.000 0.202 127 L C 2.396 179.456 176.870 0.316 0.000 1.074 127 L CA 1.466 56.484 54.840 0.296 0.000 0.795 127 L CB -1.390 40.816 42.059 0.244 0.000 0.960 127 L HN 0.154 nan 8.230 nan 0.000 0.458 128 Y N 0.472 120.824 120.300 0.086 0.000 2.014 128 Y HA -0.235 4.293 4.550 -0.037 0.000 0.272 128 Y C 2.439 178.266 175.900 -0.122 0.000 1.164 128 Y CA 2.086 60.162 58.100 -0.038 0.000 1.114 128 Y CB -1.242 37.205 38.460 -0.022 0.000 0.961 128 Y HN 0.172 nan 8.280 nan 0.000 0.489 129 F N -1.923 118.188 119.950 0.269 0.000 2.387 129 F HA 0.030 4.534 4.527 -0.037 0.000 0.294 129 F C 2.088 177.979 175.800 0.151 0.000 1.093 129 F CA 0.945 59.047 58.000 0.170 0.000 1.420 129 F CB -0.275 38.809 39.000 0.139 0.000 1.086 129 F HN -0.102 nan 8.300 nan 0.000 0.531 130 S N -0.055 115.864 115.700 0.365 0.000 3.339 130 S HA 0.309 4.757 4.470 -0.037 0.000 0.221 130 S C 0.266 174.962 174.600 0.161 0.000 1.059 130 S CA -0.531 57.859 58.200 0.317 0.000 1.365 130 S CB 0.364 63.890 63.200 0.542 0.000 1.065 130 S HN 0.209 nan 8.310 nan 0.000 0.618 131 K N 0.553 120.923 120.400 -0.051 0.000 3.239 131 K HA 0.301 4.598 4.320 -0.037 0.000 0.204 131 K C -1.605 174.608 176.600 -0.645 0.000 1.126 131 K CA -0.265 55.837 56.287 -0.308 0.000 0.948 131 K CB -0.287 32.029 32.500 -0.307 0.000 0.818 131 K HN 0.372 nan 8.250 nan 0.000 0.480 132 Y N 2.832 123.139 120.300 0.013 0.000 2.821 132 Y HA 0.244 4.772 4.550 -0.037 0.000 0.331 132 Y C 0.748 176.632 175.900 -0.026 0.000 1.251 132 Y CA -1.727 56.371 58.100 -0.002 0.000 1.494 132 Y CB -0.391 38.084 38.460 0.025 0.000 1.493 132 Y HN 0.322 nan 8.280 nan 0.000 0.496 133 I N 0.234 120.727 120.570 -0.127 0.000 3.115 133 I HA 0.056 4.204 4.170 -0.037 0.000 0.315 133 I C -0.142 175.938 176.117 -0.062 0.000 1.211 133 I CA -0.139 61.066 61.300 -0.158 0.000 1.453 133 I CB 0.279 38.045 38.000 -0.390 0.000 1.307 133 I HN 0.180 nan 8.210 nan 0.000 0.568 134 V N 4.394 124.279 119.914 -0.048 0.000 2.407 134 V HA 0.400 4.497 4.120 -0.037 0.000 0.291 134 V C 0.029 176.109 176.094 -0.023 0.000 1.018 134 V CA -0.887 61.408 62.300 -0.009 0.000 0.842 134 V CB 1.144 32.982 31.823 0.025 0.000 0.996 134 V HN 0.815 nan 8.190 nan 0.000 0.426 135 L N 4.038 125.255 121.223 -0.010 0.000 2.838 135 L HA 0.027 4.345 4.340 -0.037 0.000 0.287 135 L C 1.117 177.991 176.870 0.005 0.000 1.124 135 L CA 0.577 55.418 54.840 0.001 0.000 1.091 135 L CB -0.412 41.663 42.059 0.026 0.000 1.448 135 L HN 0.808 nan 8.230 nan 0.000 0.455 136 D N 3.694 124.091 120.400 -0.005 0.000 1.971 136 D HA -0.057 4.560 4.640 -0.037 0.000 0.253 136 D C -1.338 174.966 176.300 0.006 0.000 1.019 136 D CA 1.060 55.058 54.000 -0.003 0.000 0.947 136 D CB -0.522 40.270 40.800 -0.013 0.000 1.256 136 D HN 0.355 nan 8.370 nan 0.000 0.493 137 P HA 0.147 nan 4.420 nan 0.000 0.342 137 P C -0.542 176.776 177.300 0.030 0.000 1.384 137 P CA -0.361 62.749 63.100 0.016 0.000 0.837 137 P CB 0.331 32.040 31.700 0.014 0.000 2.025 138 K N -0.894 119.529 120.400 0.039 0.000 2.457 138 K HA 0.319 4.617 4.320 -0.037 0.000 0.269 138 K C 0.756 177.401 176.600 0.075 0.000 0.969 138 K CA 1.137 57.458 56.287 0.056 0.000 0.921 138 K CB -0.584 31.958 32.500 0.070 0.000 0.940 138 K HN 0.679 nan 8.250 nan 0.000 0.517 139 G N -0.333 108.520 108.800 0.087 0.000 5.609 139 G HA2 0.312 4.250 3.960 -0.037 0.000 0.195 139 G HA3 0.312 4.250 3.960 -0.037 0.000 0.195 139 G C 0.591 175.554 174.900 0.105 0.000 0.749 139 G CA 0.183 45.347 45.100 0.108 0.000 0.662 139 G HN 0.666 nan 8.290 nan 0.000 0.288 140 A N 0.784 123.660 122.820 0.093 0.000 1.818 140 A HA -0.302 3.996 4.320 -0.037 0.000 0.310 140 A C 1.350 178.961 177.584 0.046 0.000 3.572 140 A CA 1.941 54.004 52.037 0.043 0.000 0.984 140 A CB -1.278 17.717 19.000 -0.008 0.000 0.719 140 A HN 1.044 nan 8.150 nan 0.000 0.500 141 I N 0.359 120.970 120.570 0.069 0.000 3.115 141 I HA 0.092 4.240 4.170 -0.037 0.000 0.315 141 I C 0.610 176.768 176.117 0.068 0.000 1.211 141 I CA 0.796 62.139 61.300 0.072 0.000 1.453 141 I CB -0.207 37.853 38.000 0.100 0.000 1.307 141 I HN 0.606 nan 8.210 nan 0.000 0.568 142 L N 4.020 125.280 121.223 0.062 0.000 2.416 142 L HA 0.598 4.915 4.340 -0.037 0.000 0.263 142 L C 0.779 177.688 176.870 0.065 0.000 1.065 142 L CA -0.308 54.567 54.840 0.058 0.000 0.798 142 L CB 0.357 42.445 42.059 0.048 0.000 1.267 142 L HN 0.643 nan 8.230 nan 0.000 0.467 143 N N -1.424 117.313 118.700 0.062 0.000 2.273 143 N HA 0.248 4.966 4.740 -0.037 0.000 0.192 143 N C 0.887 176.432 175.510 0.058 0.000 1.132 143 N CA 0.677 53.766 53.050 0.064 0.000 0.887 143 N CB 1.566 40.092 38.487 0.065 0.000 1.048 143 N HN 0.994 nan 8.380 nan 0.000 0.490 144 G N -0.186 108.645 108.800 0.051 0.000 3.254 144 G HA2 -0.017 3.921 3.960 -0.037 0.000 0.219 144 G HA3 -0.017 3.921 3.960 -0.037 0.000 0.219 144 G C -0.686 174.236 174.900 0.038 0.000 0.964 144 G CA 0.138 45.266 45.100 0.045 0.000 0.823 144 G HN 0.215 nan 8.290 nan 0.000 0.579 145 V N 1.920 121.858 119.914 0.039 0.000 3.158 145 V HA 0.797 4.894 4.120 -0.037 0.000 0.311 145 V C -1.977 174.138 176.094 0.034 0.000 1.181 145 V CA -1.969 60.351 62.300 0.033 0.000 1.054 145 V CB 2.690 34.532 31.823 0.031 0.000 1.085 145 V HN 0.088 nan 8.190 nan 0.000 0.446 146 P HA 0.154 nan 4.420 nan 0.000 0.272 146 P C -0.437 176.884 177.300 0.035 0.000 1.240 146 P CA 0.126 63.243 63.100 0.029 0.000 0.791 146 P CB 0.453 32.165 31.700 0.021 0.000 0.978 147 V N 0.854 120.790 119.914 0.038 0.000 2.843 147 V HA -0.126 3.972 4.120 -0.037 0.000 0.305 147 V C 0.952 177.069 176.094 0.038 0.000 1.120 147 V CA 0.775 63.102 62.300 0.044 0.000 1.254 147 V CB -1.076 30.774 31.823 0.046 0.000 0.901 147 V HN 0.475 nan 8.190 nan 0.000 0.503 148 E N 4.495 124.720 120.200 0.042 0.000 1.979 148 E HA 0.101 4.429 4.350 -0.037 0.000 0.285 148 E C 1.360 177.979 176.600 0.031 0.000 1.188 148 E CA -0.304 56.118 56.400 0.036 0.000 1.214 148 E CB -0.023 29.702 29.700 0.041 0.000 1.210 148 E HN 0.607 nan 8.360 nan 0.000 0.477 149 K N 1.101 121.518 120.400 0.027 0.000 2.137 149 K HA -0.314 3.984 4.320 -0.037 0.000 0.216 149 K C 1.130 177.742 176.600 0.020 0.000 1.052 149 K CA 1.615 57.915 56.287 0.022 0.000 0.939 149 K CB -0.004 32.507 32.500 0.018 0.000 0.724 149 K HN 0.203 nan 8.250 nan 0.000 0.465 150 R N 0.740 121.252 120.500 0.021 0.000 2.615 150 R HA 0.145 4.463 4.340 -0.037 0.000 0.448 150 R C -0.355 175.961 176.300 0.026 0.000 1.009 150 R CA -0.075 56.038 56.100 0.021 0.000 1.111 150 R CB 0.711 31.023 30.300 0.019 0.000 1.461 150 R HN 0.291 nan 8.270 nan 0.000 0.587 151 Q N 0.828 120.645 119.800 0.028 0.000 2.241 151 Q HA 0.467 4.785 4.340 -0.037 0.000 0.262 151 Q C -0.480 175.542 176.000 0.037 0.000 1.014 151 Q CA -0.893 54.930 55.803 0.033 0.000 0.885 151 Q CB 2.304 31.062 28.738 0.033 0.000 1.311 151 Q HN 0.186 nan 8.270 nan 0.000 0.461 152 L N -1.193 120.057 121.223 0.045 0.000 2.352 152 L HA 0.751 5.068 4.340 -0.037 0.000 0.269 152 L C -0.842 176.069 176.870 0.069 0.000 1.034 152 L CA -0.965 53.908 54.840 0.056 0.000 0.806 152 L CB 0.721 42.826 42.059 0.076 0.000 1.244 152 L HN 0.426 nan 8.230 nan 0.000 0.447 153 L N -0.018 121.250 121.223 0.076 0.000 2.322 153 L HA 0.672 4.989 4.340 -0.037 0.000 0.252 153 L C -0.266 176.692 176.870 0.147 0.000 1.055 153 L CA -0.637 54.264 54.840 0.101 0.000 0.849 153 L CB 2.669 44.785 42.059 0.095 0.000 1.446 153 L HN 0.716 nan 8.230 nan 0.000 0.416 154 T N -2.064 112.596 114.554 0.177 0.000 2.936 154 T HA 0.107 4.434 4.350 -0.037 0.000 0.282 154 T C 0.395 175.190 174.700 0.158 0.000 1.003 154 T CA -0.521 61.722 62.100 0.239 0.000 1.005 154 T CB 1.732 70.758 68.868 0.263 0.000 1.097 154 T HN 0.582 nan 8.240 nan 0.000 0.532 155 D N 0.420 120.877 120.400 0.095 0.000 2.116 155 D HA -0.139 4.478 4.640 -0.037 0.000 0.193 155 D C 1.902 178.292 176.300 0.150 0.000 0.998 155 D CA 1.313 55.380 54.000 0.111 0.000 0.836 155 D CB 0.162 40.978 40.800 0.027 0.000 0.951 155 D HN 0.427 nan 8.370 nan 0.000 0.449 156 E N 0.576 120.847 120.200 0.118 0.000 2.058 156 E HA -0.170 4.158 4.350 -0.037 0.000 0.194 156 E C 2.163 178.810 176.600 0.079 0.000 0.997 156 E CA 0.889 57.337 56.400 0.080 0.000 0.801 156 E CB -0.284 29.460 29.700 0.073 0.000 0.746 156 E HN 0.577 nan 8.360 nan 0.000 0.450 157 E N -0.418 119.849 120.200 0.112 0.000 2.150 157 E HA -0.172 4.156 4.350 -0.037 0.000 0.193 157 E C 1.993 178.677 176.600 0.141 0.000 0.985 157 E CA 0.574 57.039 56.400 0.108 0.000 0.814 157 E CB -0.222 29.547 29.700 0.115 0.000 0.752 157 E HN 0.226 nan 8.360 nan 0.000 0.466 158 Y N 2.110 122.426 120.300 0.027 0.000 2.133 158 Y HA -0.180 4.348 4.550 -0.037 0.000 0.287 158 Y C 2.344 178.257 175.900 0.022 0.000 1.134 158 Y CA 1.713 59.825 58.100 0.019 0.000 1.133 158 Y CB -0.267 38.192 38.460 -0.002 0.000 0.987 158 Y HN -0.210 nan 8.280 nan 0.000 0.502 159 R N 0.641 121.070 120.500 -0.119 0.000 2.127 159 R HA -0.199 4.119 4.340 -0.037 0.000 0.238 159 R C 1.878 178.105 176.300 -0.121 0.000 1.134 159 R CA 1.769 57.752 56.100 -0.195 0.000 0.975 159 R CB -0.379 29.880 30.300 -0.068 0.000 0.865 159 R HN 0.515 nan 8.270 nan 0.000 0.447 160 E N -0.153 120.012 120.200 -0.059 0.000 2.463 160 E HA -0.029 4.299 4.350 -0.037 0.000 0.191 160 E C 1.003 177.593 176.600 -0.017 0.000 1.083 160 E CA -0.042 56.335 56.400 -0.040 0.000 0.872 160 E CB 0.265 29.955 29.700 -0.017 0.000 0.966 160 E HN 0.404 nan 8.360 nan 0.000 0.491 161 L N -0.761 120.435 121.223 -0.045 0.000 2.614 161 L HA 0.134 4.451 4.340 -0.037 0.000 0.185 161 L C 2.503 179.350 176.870 -0.038 0.000 1.098 161 L CA 0.161 54.994 54.840 -0.012 0.000 0.852 161 L CB -0.314 41.766 42.059 0.035 0.000 1.213 161 L HN 0.021 nan 8.230 nan 0.000 0.491 162 R N -0.153 120.258 120.500 -0.148 0.000 2.070 162 R HA -0.238 4.079 4.340 -0.037 0.000 0.233 162 R C 1.969 178.228 176.300 -0.068 0.000 1.137 162 R CA 1.889 57.902 56.100 -0.144 0.000 0.945 162 R CB -0.969 29.151 30.300 -0.299 0.000 0.845 162 R HN 0.174 nan 8.270 nan 0.000 0.430 163 Y N 1.629 121.844 120.300 -0.141 0.000 2.578 163 Y HA 0.213 4.740 4.550 -0.037 0.000 0.297 163 Y C 0.733 176.590 175.900 -0.073 0.000 1.176 163 Y CA 0.654 58.693 58.100 -0.102 0.000 1.315 163 Y CB -0.044 38.346 38.460 -0.116 0.000 1.031 163 Y HN 0.615 nan 8.280 nan 0.000 0.524 164 G N -0.272 108.593 108.800 0.108 0.000 2.541 164 G HA2 -0.197 3.740 3.960 -0.037 0.000 0.686 164 G HA3 -0.197 3.740 3.960 -0.037 0.000 0.686 164 G C 0.385 175.303 174.900 0.031 0.000 1.286 164 G CA -0.298 44.847 45.100 0.074 0.000 0.894 164 G HN -0.023 nan 8.290 nan 0.000 0.575 165 K N -0.342 120.073 120.400 0.025 0.000 2.155 165 K HA 0.033 4.331 4.320 -0.037 0.000 0.203 165 K C 1.022 177.552 176.600 -0.117 0.000 1.052 165 K CA 1.923 58.211 56.287 0.003 0.000 0.948 165 K CB 0.040 32.586 32.500 0.076 0.000 0.728 165 K HN 0.672 nan 8.250 nan 0.000 0.448 166 Q N -0.189 119.520 119.800 -0.151 0.000 2.379 166 Q HA 0.205 4.522 4.340 -0.037 0.000 0.278 166 Q C -1.929 173.917 176.000 -0.258 0.000 1.068 166 Q CA -0.441 55.153 55.803 -0.349 0.000 0.816 166 Q CB 2.000 30.349 28.738 -0.647 0.000 1.387 166 Q HN 0.049 nan 8.270 nan 0.000 0.413 167 E N 2.085 122.096 120.200 -0.316 0.000 2.593 167 E HA 0.432 4.760 4.350 -0.037 0.000 0.232 167 E C -1.274 175.187 176.600 -0.232 0.000 1.026 167 E CA -0.350 55.878 56.400 -0.286 0.000 0.772 167 E CB 0.679 30.147 29.700 -0.386 0.000 1.310 167 E HN 0.683 nan 8.360 nan 0.000 0.413 168 T N 2.815 117.255 114.554 -0.189 0.000 2.824 168 T HA 0.181 4.509 4.350 -0.037 0.000 0.280 168 T C -0.318 174.343 174.700 -0.064 0.000 0.995 168 T CA -0.556 61.465 62.100 -0.131 0.000 1.009 168 T CB 0.754 69.519 68.868 -0.171 0.000 0.955 168 T HN 0.473 nan 8.240 nan 0.000 0.452 169 Y N 1.244 121.447 120.300 -0.162 0.000 2.713 169 Y HA 0.428 4.956 4.550 -0.037 0.000 0.269 169 Y C -2.860 172.992 175.900 -0.080 0.000 1.106 169 Y CA -3.051 54.976 58.100 -0.121 0.000 1.174 169 Y CB -0.393 38.008 38.460 -0.097 0.000 1.186 169 Y HN 0.332 nan 8.280 nan 0.000 0.555 170 P HA -0.048 nan 4.420 nan 0.000 0.253 170 P C -0.578 176.544 177.300 -0.296 0.000 1.170 170 P CA 0.420 63.356 63.100 -0.274 0.000 0.806 170 P CB 0.438 32.084 31.700 -0.090 0.000 0.775 171 L N 7.100 128.047 121.223 -0.459 0.000 2.257 171 L HA 0.565 4.883 4.340 -0.037 0.000 0.290 171 L C -2.441 174.342 176.870 -0.145 0.000 1.044 171 L CA -2.783 51.878 54.840 -0.300 0.000 0.810 171 L CB 0.172 41.987 42.059 -0.406 0.000 1.193 171 L HN 0.157 nan 8.230 nan 0.000 0.425 172 P HA 0.239 nan 4.420 nan 0.000 0.269 172 P C -2.648 174.637 177.300 -0.025 0.000 1.211 172 P CA -0.321 62.764 63.100 -0.025 0.000 0.781 172 P CB -0.038 31.663 31.700 0.001 0.000 0.877 173 P HA 0.446 nan 4.420 nan 0.000 0.292 173 P C 0.121 177.419 177.300 -0.004 0.000 1.308 173 P CA -0.167 62.926 63.100 -0.011 0.000 0.933 173 P CB 1.654 33.349 31.700 -0.009 0.000 1.217 174 G N -0.013 108.786 108.800 -0.002 0.000 2.509 174 G HA2 -0.196 3.742 3.960 -0.037 0.000 0.259 174 G HA3 -0.196 3.742 3.960 -0.037 0.000 0.259 174 G C 0.215 175.118 174.900 0.004 0.000 1.169 174 G CA 0.167 45.267 45.100 0.001 0.000 0.953 174 G HN 0.475 nan 8.290 nan 0.000 0.563 175 V N 0.090 120.008 119.914 0.006 0.000 3.213 175 V HA 0.203 4.301 4.120 -0.037 0.000 0.260 175 V C 1.280 177.381 176.094 0.011 0.000 1.663 175 V CA 1.538 63.844 62.300 0.011 0.000 1.026 175 V CB 0.710 32.539 31.823 0.011 0.000 0.874 175 V HN 0.709 nan 8.190 nan 0.000 0.410 176 D N 0.398 120.802 120.400 0.007 0.000 2.995 176 D HA 0.249 4.867 4.640 -0.037 0.000 0.289 176 D C 1.935 178.237 176.300 0.003 0.000 1.116 176 D CA 1.116 55.119 54.000 0.006 0.000 0.994 176 D CB 0.026 40.828 40.800 0.004 0.000 1.209 176 D HN 0.284 nan 8.370 nan 0.000 0.458 177 A N 2.426 125.247 122.820 0.001 0.000 2.573 177 A HA -0.242 4.055 4.320 -0.037 0.000 0.211 177 A C 2.190 179.772 177.584 -0.004 0.000 1.231 177 A CA 1.635 53.671 52.037 -0.002 0.000 0.977 177 A CB -1.271 17.727 19.000 -0.002 0.000 0.761 177 A HN 0.235 nan 8.150 nan 0.000 0.549 178 L N -0.283 120.939 121.223 -0.002 0.000 2.275 178 L HA -0.118 4.200 4.340 -0.037 0.000 0.215 178 L C 2.153 179.024 176.870 0.003 0.000 1.119 178 L CA 0.720 55.559 54.840 -0.002 0.000 0.790 178 L CB -0.262 41.799 42.059 0.004 0.000 0.919 178 L HN 0.395 nan 8.230 nan 0.000 0.443 179 V N -0.809 119.109 119.914 0.007 0.000 3.383 179 V HA -0.200 3.897 4.120 -0.037 0.000 0.272 179 V C 1.919 178.018 176.094 0.008 0.000 1.181 179 V CA 1.335 63.643 62.300 0.015 0.000 1.171 179 V CB -0.746 31.088 31.823 0.019 0.000 0.800 179 V HN 0.463 nan 8.190 nan 0.000 0.515 180 K N -0.948 119.451 120.400 -0.001 0.000 2.387 180 K HA 0.086 4.383 4.320 -0.037 0.000 0.197 180 K C 1.530 178.118 176.600 -0.020 0.000 1.127 180 K CA 0.254 56.537 56.287 -0.007 0.000 0.950 180 K CB 0.103 32.599 32.500 -0.007 0.000 1.017 180 K HN 0.317 nan 8.250 nan 0.000 0.519 181 D N 1.044 121.427 120.400 -0.028 0.000 2.084 181 D HA -0.121 4.497 4.640 -0.037 0.000 0.194 181 D C 1.925 178.181 176.300 -0.073 0.000 0.990 181 D CA 1.629 55.598 54.000 -0.050 0.000 0.826 181 D CB -0.160 40.605 40.800 -0.058 0.000 0.971 181 D HN 0.303 nan 8.370 nan 0.000 0.453 182 G N 0.763 109.522 108.800 -0.068 0.000 2.414 182 G HA2 -0.267 3.671 3.960 -0.037 0.000 0.215 182 G HA3 -0.267 3.671 3.960 -0.037 0.000 0.215 182 G C 1.452 176.331 174.900 -0.035 0.000 1.188 182 G CA 0.700 45.750 45.100 -0.083 0.000 0.783 182 G HN 0.291 nan 8.290 nan 0.000 0.537 183 E N 0.591 120.788 120.200 -0.006 0.000 2.114 183 E HA -0.230 4.098 4.350 -0.037 0.000 0.199 183 E C 2.226 178.822 176.600 -0.007 0.000 1.008 183 E CA 1.463 57.865 56.400 0.003 0.000 0.810 183 E CB -0.151 29.553 29.700 0.006 0.000 0.739 183 E HN 0.620 nan 8.360 nan 0.000 0.456 184 E N -0.691 119.497 120.200 -0.019 0.000 2.409 184 E HA -0.109 4.219 4.350 -0.037 0.000 0.198 184 E C 0.848 177.431 176.600 -0.028 0.000 1.024 184 E CA 0.901 57.288 56.400 -0.022 0.000 0.861 184 E CB 0.472 30.156 29.700 -0.026 0.000 0.788 184 E HN 0.193 nan 8.360 nan 0.000 0.521 185 V N -0.477 119.413 119.914 -0.040 0.000 3.070 185 V HA 0.105 4.203 4.120 -0.037 0.000 0.355 185 V C 0.623 176.700 176.094 -0.029 0.000 1.400 185 V CA -0.140 62.132 62.300 -0.048 0.000 1.170 185 V CB 0.825 32.594 31.823 -0.091 0.000 1.169 185 V HN 0.038 nan 8.190 nan 0.000 0.554 186 V N -0.771 119.146 119.914 0.005 0.000 2.911 186 V HA 0.351 4.449 4.120 -0.037 0.000 0.237 186 V C 0.880 177.004 176.094 0.050 0.000 1.156 186 V CA 0.633 62.966 62.300 0.055 0.000 1.180 186 V CB 0.556 32.428 31.823 0.082 0.000 0.932 186 V HN 0.345 nan 8.190 nan 0.000 0.483 187 K N 1.566 121.983 120.400 0.029 0.000 2.278 187 K HA 0.371 4.669 4.320 -0.037 0.000 0.289 187 K C 1.046 177.659 176.600 0.021 0.000 1.080 187 K CA 0.797 57.098 56.287 0.024 0.000 0.934 187 K CB -0.062 32.446 32.500 0.014 0.000 1.093 187 K HN 0.658 nan 8.250 nan 0.000 0.459 188 G N 2.806 111.622 108.800 0.026 0.000 2.458 188 G HA2 -0.290 3.647 3.960 -0.037 0.000 0.237 188 G HA3 -0.290 3.647 3.960 -0.037 0.000 0.237 188 G C 0.091 175.004 174.900 0.022 0.000 1.113 188 G CA -0.315 44.798 45.100 0.023 0.000 0.655 188 G HN 0.559 nan 8.290 nan 0.000 0.513 189 Q N 2.317 122.128 119.800 0.018 0.000 2.318 189 Q HA 0.253 4.571 4.340 -0.037 0.000 0.270 189 Q C -0.090 175.925 176.000 0.025 0.000 1.237 189 Q CA 0.567 56.378 55.803 0.012 0.000 0.937 189 Q CB 0.054 28.792 28.738 0.000 0.000 1.375 189 Q HN 0.688 nan 8.270 nan 0.000 0.452 190 E N 2.083 122.297 120.200 0.024 0.000 2.481 190 E HA -0.028 4.300 4.350 -0.037 0.000 0.240 190 E C -0.299 176.323 176.600 0.037 0.000 1.193 190 E CA 0.287 56.707 56.400 0.033 0.000 0.955 190 E CB -0.193 29.521 29.700 0.023 0.000 1.006 190 E HN 0.370 nan 8.360 nan 0.000 0.483 191 L N 2.924 124.186 121.223 0.065 0.000 2.315 191 L HA 0.282 4.600 4.340 -0.037 0.000 0.283 191 L C 0.870 177.788 176.870 0.079 0.000 1.089 191 L CA -0.661 54.219 54.840 0.066 0.000 0.833 191 L CB 0.573 42.701 42.059 0.115 0.000 1.170 191 L HN 0.568 nan 8.230 nan 0.000 0.442 192 A N 6.891 129.736 122.820 0.042 0.000 2.325 192 A HA 0.431 4.729 4.320 -0.037 0.000 0.260 192 A C -2.260 175.349 177.584 0.041 0.000 1.133 192 A CA -0.935 51.122 52.037 0.034 0.000 0.801 192 A CB -0.493 18.513 19.000 0.010 0.000 1.092 192 A HN 0.472 nan 8.150 nan 0.000 0.504 193 P HA 0.295 nan 4.420 nan 0.000 0.269 193 P C 0.748 178.032 177.300 -0.025 0.000 1.215 193 P CA 1.506 64.589 63.100 -0.029 0.000 0.780 193 P CB 0.404 32.057 31.700 -0.078 0.000 0.898 194 G N 0.788 109.566 108.800 -0.038 0.000 2.258 194 G HA2 -0.252 3.686 3.960 -0.037 0.000 0.274 194 G HA3 -0.252 3.686 3.960 -0.037 0.000 0.274 194 G C 0.199 175.106 174.900 0.011 0.000 1.021 194 G CA -0.168 44.922 45.100 -0.017 0.000 0.798 194 G HN 0.525 nan 8.290 nan 0.000 0.507 195 V N 0.441 120.380 119.914 0.041 0.000 2.475 195 V HA 0.093 4.190 4.120 -0.037 0.000 0.292 195 V C 1.252 177.307 176.094 -0.064 0.000 1.003 195 V CA 0.445 62.727 62.300 -0.029 0.000 1.120 195 V CB 1.168 32.944 31.823 -0.078 0.000 0.937 195 V HN 0.296 nan 8.190 nan 0.000 0.476 196 V N 6.365 126.235 119.914 -0.073 0.000 2.313 196 V HA 0.116 4.214 4.120 -0.037 0.000 0.252 196 V C 0.840 176.869 176.094 -0.109 0.000 1.112 196 V CA 0.260 62.522 62.300 -0.063 0.000 0.984 196 V CB 0.679 32.478 31.823 -0.041 0.000 1.157 196 V HN 0.929 nan 8.190 nan 0.000 0.493 197 S N 4.435 120.045 115.700 -0.150 0.000 2.576 197 S HA 0.250 4.698 4.470 -0.037 0.000 0.272 197 S C 1.048 175.602 174.600 -0.076 0.000 1.352 197 S CA -0.134 57.969 58.200 -0.162 0.000 1.021 197 S CB 0.432 63.528 63.200 -0.174 0.000 0.887 197 S HN 0.754 nan 8.310 nan 0.000 0.542 198 R N 2.304 122.767 120.500 -0.062 0.000 2.577 198 R HA 0.342 4.660 4.340 -0.037 0.000 0.344 198 R C 0.556 176.842 176.300 -0.024 0.000 1.037 198 R CA -0.107 55.970 56.100 -0.038 0.000 1.102 198 R CB 0.117 30.395 30.300 -0.037 0.000 1.313 198 R HN 0.492 nan 8.270 nan 0.000 0.561 199 L N -0.055 121.157 121.223 -0.019 0.000 3.013 199 L HA 0.247 4.565 4.340 -0.037 0.000 0.181 199 L C -0.362 176.505 176.870 -0.005 0.000 1.369 199 L CA 0.042 54.876 54.840 -0.011 0.000 1.743 199 L CB 0.328 42.381 42.059 -0.010 0.000 1.790 199 L HN -0.038 nan 8.230 nan 0.000 0.899 200 D N 0.824 121.223 120.400 -0.002 0.000 2.412 200 D HA 0.344 4.962 4.640 -0.037 0.000 0.257 200 D C 0.689 176.991 176.300 0.004 0.000 1.217 200 D CA 1.313 55.313 54.000 0.000 0.000 0.897 200 D CB 0.410 41.210 40.800 -0.000 0.000 1.132 200 D HN 0.641 nan 8.370 nan 0.000 0.493 201 G N 1.930 110.733 108.800 0.004 0.000 2.620 201 G HA2 -0.277 3.661 3.960 -0.037 0.000 0.315 201 G HA3 -0.277 3.661 3.960 -0.037 0.000 0.315 201 G C -0.152 174.751 174.900 0.006 0.000 1.179 201 G CA 0.317 45.421 45.100 0.007 0.000 0.971 201 G HN 0.851 nan 8.290 nan 0.000 0.544 202 V N 0.666 120.588 119.914 0.013 0.000 2.925 202 V HA 0.609 4.707 4.120 -0.037 0.000 0.252 202 V C 0.478 176.592 176.094 0.033 0.000 0.913 202 V CA -0.142 62.166 62.300 0.013 0.000 0.933 202 V CB 0.755 32.584 31.823 0.009 0.000 1.039 202 V HN 2.071 nan 8.190 nan 0.000 0.507 203 A N 5.739 128.584 122.820 0.042 0.000 2.553 203 A HA 0.448 4.746 4.320 -0.037 0.000 0.258 203 A C -0.072 177.600 177.584 0.148 0.000 1.069 203 A CA 0.558 52.657 52.037 0.103 0.000 0.767 203 A CB -0.137 18.942 19.000 0.133 0.000 0.997 203 A HN 0.794 nan 8.150 nan 0.000 0.512 204 L N 3.959 125.285 121.223 0.172 0.000 2.272 204 L HA 0.220 4.538 4.340 -0.037 0.000 0.284 204 L C -0.821 176.220 176.870 0.286 0.000 1.045 204 L CA -0.461 54.485 54.840 0.177 0.000 0.842 204 L CB 0.371 42.492 42.059 0.103 0.000 1.224 204 L HN 0.673 nan 8.230 nan 0.000 0.430 205 Y N 3.451 123.776 120.300 0.042 0.000 2.830 205 Y HA 0.166 4.693 4.550 -0.037 0.000 0.371 205 Y C 1.175 177.112 175.900 0.061 0.000 1.246 205 Y CA -0.630 57.516 58.100 0.076 0.000 1.890 205 Y CB -0.283 38.207 38.460 0.050 0.000 1.995 205 Y HN 0.406 nan 8.280 nan 0.000 0.430 206 R N 0.673 121.273 120.500 0.166 0.000 2.389 206 R HA 0.049 4.366 4.340 -0.037 0.000 0.210 206 R C -0.907 175.084 176.300 -0.515 0.000 1.157 206 R CA 0.266 56.274 56.100 -0.152 0.000 1.169 206 R CB -0.953 29.195 30.300 -0.253 0.000 1.004 206 R HN 0.278 nan 8.270 nan 0.000 0.482 207 F N -0.913 119.069 119.950 0.053 0.000 2.613 207 F HA 0.337 4.842 4.527 -0.037 0.000 0.310 207 F C -1.557 174.268 175.800 0.041 0.000 1.085 207 F CA -2.452 55.566 58.000 0.030 0.000 0.945 207 F CB 1.618 40.618 39.000 -0.000 0.000 1.298 207 F HN -0.179 nan 8.300 nan 0.000 0.455 208 P HA -0.254 nan 4.420 nan 0.000 0.298 208 P C 1.002 178.359 177.300 0.096 0.000 1.953 208 P CA 0.637 63.809 63.100 0.121 0.000 1.751 208 P CB 0.299 32.075 31.700 0.128 0.000 0.261 209 R N -0.216 120.324 120.500 0.067 0.000 1.859 209 R HA -0.107 4.211 4.340 -0.037 0.000 0.111 209 R C 1.238 177.574 176.300 0.060 0.000 0.494 209 R CA 1.612 57.739 56.100 0.045 0.000 1.735 209 R CB -1.030 29.278 30.300 0.014 0.000 0.465 209 R HN 0.448 nan 8.270 nan 0.000 0.706 210 R N -0.419 120.110 120.500 0.048 0.000 2.549 210 R HA 0.462 4.780 4.340 -0.037 0.000 0.259 210 R C -0.419 175.929 176.300 0.081 0.000 1.095 210 R CA -0.625 55.511 56.100 0.059 0.000 1.148 210 R CB 1.055 31.378 30.300 0.038 0.000 1.181 210 R HN 0.147 nan 8.270 nan 0.000 0.571 211 V N 0.192 120.162 119.914 0.093 0.000 3.102 211 V HA 0.544 4.641 4.120 -0.037 0.000 0.312 211 V C -0.646 175.497 176.094 0.081 0.000 1.135 211 V CA -1.054 61.315 62.300 0.115 0.000 1.022 211 V CB 2.111 34.077 31.823 0.238 0.000 1.056 211 V HN 0.691 nan 8.190 nan 0.000 0.436 212 R N 1.250 121.792 120.500 0.071 0.000 2.518 212 R HA 0.662 4.979 4.340 -0.037 0.000 0.296 212 R C -1.776 174.555 176.300 0.052 0.000 1.080 212 R CA -0.275 55.854 56.100 0.049 0.000 0.922 212 R CB 1.985 32.304 30.300 0.032 0.000 1.184 212 R HN 0.637 nan 8.270 nan 0.000 0.445 213 V N 4.001 123.946 119.914 0.052 0.000 2.834 213 V HA 0.181 4.278 4.120 -0.037 0.000 0.301 213 V C 0.580 176.686 176.094 0.021 0.000 1.066 213 V CA 0.315 62.647 62.300 0.054 0.000 1.052 213 V CB 1.683 33.540 31.823 0.057 0.000 1.021 213 V HN 0.933 nan 8.190 nan 0.000 0.480 214 E N 2.924 123.151 120.200 0.045 0.000 2.066 214 E HA 0.129 4.457 4.350 -0.037 0.000 0.207 214 E C -0.807 175.742 176.600 -0.084 0.000 0.937 214 E CA 0.432 56.845 56.400 0.022 0.000 0.906 214 E CB 0.147 29.962 29.700 0.191 0.000 0.986 214 E HN 0.684 nan 8.360 nan 0.000 0.490 215 Y N 0.004 120.320 120.300 0.027 0.000 2.496 215 Y HA 0.368 4.895 4.550 -0.037 0.000 0.331 215 Y C -0.070 175.840 175.900 0.017 0.000 1.140 215 Y CA -0.839 57.274 58.100 0.021 0.000 1.166 215 Y CB 1.605 40.078 38.460 0.021 0.000 1.249 215 Y HN -0.123 nan 8.280 nan 0.000 0.479 216 V N 1.078 121.098 119.914 0.176 0.000 2.864 216 V HA 0.714 4.811 4.120 -0.037 0.000 0.314 216 V C 0.225 176.381 176.094 0.103 0.000 1.073 216 V CA -0.754 61.607 62.300 0.103 0.000 0.956 216 V CB 0.953 32.808 31.823 0.054 0.000 1.023 216 V HN 0.887 nan 8.190 nan 0.000 0.435 217 K N 1.748 122.188 120.400 0.066 0.000 3.215 217 K HA 0.722 5.020 4.320 -0.037 0.000 0.171 217 K C 0.978 177.602 176.600 0.040 0.000 1.127 217 K CA 0.678 56.995 56.287 0.051 0.000 1.421 217 K CB -0.571 31.950 32.500 0.035 0.000 1.962 217 K HN 1.115 nan 8.250 nan 0.000 0.478 218 K N 0.067 120.484 120.400 0.028 0.000 3.257 218 K HA 0.568 4.866 4.320 -0.037 0.000 0.196 218 K C 1.036 177.646 176.600 0.017 0.000 1.089 218 K CA 0.952 57.253 56.287 0.023 0.000 0.959 218 K CB -0.362 nan 32.500 nan 0.000 0.719 218 K HN 0.743 nan 8.250 nan 0.000 0.446 219 E N 0.137 120.347 120.200 0.016 0.000 2.048 219 E HA 0.538 4.866 4.350 -0.037 0.000 0.193 219 E C 1.262 177.868 176.600 0.010 0.000 0.956 219 E CA 1.357 57.764 56.400 0.012 0.000 0.846 219 E CB -0.167 29.540 29.700 0.010 0.000 0.827 219 E HN 1.235 nan 8.360 nan 0.000 0.466 220 R N -0.750 119.757 120.500 0.011 0.000 2.564 220 R HA 0.823 5.140 4.340 -0.037 0.000 0.284 220 R C -0.653 175.653 176.300 0.010 0.000 1.031 220 R CA -0.191 55.915 56.100 0.009 0.000 0.904 220 R CB 1.010 31.313 30.300 0.005 0.000 1.199 220 R HN 1.192 nan 8.270 nan 0.000 0.443 221 A N 1.026 123.852 122.820 0.009 0.000 2.287 221 A HA 0.910 5.207 4.320 -0.037 0.000 0.317 221 A C 0.346 177.933 177.584 0.005 0.000 1.220 221 A CA -0.309 51.733 52.037 0.009 0.000 0.835 221 A CB 0.936 19.942 19.000 0.011 0.000 1.180 221 A HN 2.019 nan 8.150 nan 0.000 0.500 222 G N -0.885 107.917 108.800 0.003 0.000 2.768 222 G HA2 0.674 4.611 3.960 -0.037 0.000 0.297 222 G HA3 0.674 4.611 3.960 -0.037 0.000 0.297 222 G C -0.013 174.887 174.900 0.000 0.000 1.430 222 G CA 0.210 45.311 45.100 0.002 0.000 1.030 222 G HN 2.319 nan 8.290 nan 0.000 0.553 223 L N -2.162 119.062 121.223 0.000 0.000 4.696 223 L HA 0.153 4.471 4.340 -0.037 0.000 0.425 223 L C 1.451 178.319 176.870 -0.003 0.000 1.115 223 L CA 2.901 57.742 54.840 0.000 0.000 0.996 223 L CB -2.706 nan 42.059 nan 0.000 2.077 223 L HN 2.321 nan 8.230 nan 0.000 0.792 224 R N -1.448 119.048 120.500 -0.007 0.000 2.519 224 R HA 1.087 5.404 4.340 -0.037 0.000 0.244 224 R C 1.094 177.382 176.300 -0.019 0.000 1.241 224 R CA 1.110 57.200 56.100 -0.017 0.000 1.120 224 R CB -0.526 29.761 30.300 -0.021 0.000 1.333 224 R HN 2.369 nan 8.270 nan 0.000 0.587 225 L N -1.578 119.625 121.223 -0.034 0.000 2.482 225 L HA 0.751 5.068 4.340 -0.037 0.000 0.242 225 L C 0.035 176.891 176.870 -0.024 0.000 1.210 225 L CA -0.608 54.212 54.840 -0.033 0.000 0.819 225 L CB -0.464 41.563 42.059 -0.053 0.000 1.203 225 L HN 0.945 nan 8.230 nan 0.000 0.495 226 P HA 0.455 nan 4.420 nan 0.000 0.256 226 P C 1.360 178.655 177.300 -0.008 0.000 1.335 226 P CA 1.934 65.028 63.100 -0.010 0.000 0.808 226 P CB -0.990 30.706 31.700 -0.007 0.000 1.305 227 L N -0.614 120.600 121.223 -0.015 0.000 1.955 227 L HA 0.176 4.494 4.340 -0.037 0.000 0.213 227 L C 2.825 179.702 176.870 0.011 0.000 1.072 227 L CA 2.977 57.815 54.840 -0.004 0.000 0.755 227 L CB -1.840 40.208 42.059 -0.018 0.000 0.888 227 L HN 0.406 nan 8.230 nan 0.000 0.432 228 A N -1.170 121.657 122.820 0.010 0.000 2.206 228 A HA 0.343 4.641 4.320 -0.037 0.000 0.211 228 A C 2.700 180.291 177.584 0.012 0.000 1.158 228 A CA 1.562 53.609 52.037 0.017 0.000 0.761 228 A CB -0.894 18.117 19.000 0.018 0.000 0.801 228 A HN 1.465 nan 8.150 nan 0.000 0.473 229 A N -1.196 121.628 122.820 0.007 0.000 1.915 229 A HA -0.171 4.127 4.320 -0.037 0.000 0.220 229 A C 2.376 179.964 177.584 0.007 0.000 1.198 229 A CA 2.600 54.640 52.037 0.005 0.000 0.647 229 A CB -1.511 17.490 19.000 0.002 0.000 0.825 229 A HN 1.414 nan 8.150 nan 0.000 0.456 230 W N -0.978 120.328 121.300 0.009 0.000 2.436 230 W HA 0.282 4.919 4.660 -0.037 0.000 0.284 230 W C 2.648 179.174 176.519 0.011 0.000 1.225 230 W CA 2.101 59.452 57.345 0.009 0.000 1.271 230 W CB -1.119 28.347 29.460 0.010 0.000 1.114 230 W HN 0.618 nan 8.180 nan 0.000 0.559 231 V N 1.324 121.246 119.914 0.013 0.000 2.250 231 V HA 0.067 4.165 4.120 -0.037 0.000 0.250 231 V C 1.501 177.602 176.094 0.012 0.000 1.060 231 V CA 3.847 66.155 62.300 0.014 0.000 1.030 231 V CB -1.527 30.307 31.823 0.018 0.000 0.643 231 V HN 0.698 nan 8.190 nan 0.000 0.445 232 E N 0.398 120.604 120.200 0.011 0.000 2.360 232 E HA 0.532 4.860 4.350 -0.037 0.000 0.253 232 E C 1.312 177.917 176.600 0.007 0.000 1.189 232 E CA 1.169 57.575 56.400 0.009 0.000 1.252 232 E CB -0.753 28.953 29.700 0.009 0.000 1.408 232 E HN 1.302 nan 8.360 nan 0.000 0.464 233 K N 0.082 120.486 120.400 0.007 0.000 2.298 233 K HA -0.448 3.850 4.320 -0.037 0.000 0.206 233 K C 2.313 178.917 176.600 0.005 0.000 0.807 233 K CA 4.548 60.839 56.287 0.006 0.000 1.023 233 K CB -2.235 30.268 32.500 0.005 0.000 1.086 233 K HN 1.829 nan 8.250 nan 0.000 0.566 234 E N -1.218 118.985 120.200 0.005 0.000 2.549 234 E HA -0.244 4.084 4.350 -0.037 0.000 0.249 234 E C 2.799 179.402 176.600 0.004 0.000 1.084 234 E CA 4.145 60.547 56.400 0.004 0.000 1.243 234 E CB -1.573 28.130 29.700 0.005 0.000 1.105 234 E HN 1.944 nan 8.360 nan 0.000 0.477 235 A N -1.322 121.500 122.820 0.005 0.000 1.903 235 A HA 0.345 4.642 4.320 -0.037 0.000 0.213 235 A C 2.603 180.189 177.584 0.004 0.000 1.185 235 A CA 2.761 54.801 52.037 0.004 0.000 0.628 235 A CB -0.792 18.211 19.000 0.004 0.000 0.830 235 A HN 1.569 nan 8.150 nan 0.000 0.446 236 Y N -1.019 119.284 120.300 0.004 0.000 2.373 236 Y HA 0.127 4.655 4.550 -0.037 0.000 0.293 236 Y C 2.775 178.677 175.900 0.003 0.000 1.129 236 Y CA 2.316 60.418 58.100 0.004 0.000 1.226 236 Y CB -1.189 37.273 38.460 0.004 0.000 1.000 236 Y HN 0.588 nan 8.280 nan 0.000 0.549 237 K N 0.156 120.558 120.400 0.004 0.000 2.029 237 K HA 0.498 4.795 4.320 -0.037 0.000 0.205 237 K C -0.317 176.285 176.600 0.003 0.000 1.042 237 K CA 1.269 57.558 56.287 0.003 0.000 0.949 237 K CB -1.490 31.012 32.500 0.004 0.000 0.740 237 K HN 0.789 nan 8.250 nan 0.000 0.442 238 P HA 0.632 nan 4.420 nan 0.000 0.322 238 P C -0.755 176.547 177.300 0.003 0.000 1.106 238 P CA 0.086 63.188 63.100 0.003 0.000 0.940 238 P CB 1.969 33.671 31.700 0.003 0.000 1.349 239 G N -0.843 107.959 108.800 0.004 0.000 3.515 239 G HA2 0.476 4.414 3.960 -0.037 0.000 0.288 239 G HA3 0.476 4.414 3.960 -0.037 0.000 0.288 239 G C 0.430 175.332 174.900 0.004 0.000 1.012 239 G CA 1.244 46.346 45.100 0.004 0.000 1.689 239 G HN 0.811 nan 8.290 nan 0.000 0.572 240 E N 0.348 120.550 120.200 0.004 0.000 2.526 240 E HA 0.346 4.674 4.350 -0.037 0.000 0.208 240 E C 2.206 178.809 176.600 0.004 0.000 0.997 240 E CA 0.582 56.984 56.400 0.004 0.000 0.961 240 E CB -0.590 29.112 29.700 0.004 0.000 1.030 240 E HN 0.780 nan 8.360 nan 0.000 0.483 241 I N 0.576 121.148 120.570 0.004 0.000 2.315 241 I HA 0.072 4.219 4.170 -0.037 0.000 0.251 241 I C 3.045 179.164 176.117 0.004 0.000 1.125 241 I CA 2.446 63.748 61.300 0.004 0.000 1.392 241 I CB -1.626 36.377 38.000 0.004 0.000 1.065 241 I HN 0.687 nan 8.210 nan 0.000 0.424 242 L N -0.176 121.049 121.223 0.004 0.000 2.056 242 L HA 0.350 4.668 4.340 -0.037 0.000 0.207 242 L C 2.931 179.802 176.870 0.003 0.000 1.078 242 L CA 2.553 57.395 54.840 0.003 0.000 0.749 242 L CB -1.974 40.087 42.059 0.004 0.000 0.901 242 L HN 0.910 nan 8.230 nan 0.000 0.433 243 A N -0.370 122.452 122.820 0.003 0.000 2.067 243 A HA 0.091 4.389 4.320 -0.037 0.000 0.219 243 A C 2.410 179.996 177.584 0.003 0.000 1.158 243 A CA 1.933 53.972 52.037 0.003 0.000 0.661 243 A CB -0.953 18.049 19.000 0.003 0.000 0.801 243 A HN 1.059 nan 8.150 nan 0.000 0.452 244 E N -0.634 119.568 120.200 0.003 0.000 2.169 244 E HA -0.014 4.313 4.350 -0.037 0.000 0.202 244 E C 1.328 177.930 176.600 0.003 0.000 1.016 244 E CA 1.620 58.022 56.400 0.004 0.000 0.817 244 E CB -1.833 27.869 29.700 0.004 0.000 0.736 244 E HN 1.507 nan 8.360 nan 0.000 0.462 245 L N 0.733 121.958 121.223 0.003 0.000 2.704 245 L HA 0.567 4.884 4.340 -0.037 0.000 0.279 245 L C 0.361 177.232 176.870 0.002 0.000 1.147 245 L CA 0.091 54.932 54.840 0.002 0.000 0.994 245 L CB -1.383 40.677 42.059 0.002 0.000 1.332 245 L HN 0.487 nan 8.230 nan 0.000 0.471 246 P HA -0.275 nan 4.420 nan 0.000 0.236 246 P C 1.263 178.564 177.300 0.002 0.000 0.865 246 P CA 3.621 66.722 63.100 0.002 0.000 1.105 246 P CB 0.082 31.783 31.700 0.002 0.000 0.694 247 E N -2.224 117.977 120.200 0.002 0.000 2.400 247 E HA 0.417 4.745 4.350 -0.037 0.000 0.195 247 E C 0.722 177.322 176.600 0.001 0.000 1.012 247 E CA 1.334 57.734 56.400 0.001 0.000 0.875 247 E CB -1.607 28.094 29.700 0.001 0.000 0.859 247 E HN 0.684 nan 8.360 nan 0.000 0.498 248 P HA 0.116 nan 4.420 nan 0.000 0.231 248 P C 1.752 179.053 177.300 0.001 0.000 1.168 248 P CA 1.769 64.869 63.100 0.001 0.000 0.779 248 P CB -0.566 31.134 31.700 0.000 0.000 0.844 249 Y N -1.614 118.686 120.300 0.001 0.000 2.680 249 Y HA 0.324 4.851 4.550 -0.037 0.000 0.303 249 Y C 2.365 178.266 175.900 0.001 0.000 1.166 249 Y CA 1.606 59.707 58.100 0.001 0.000 1.344 249 Y CB -1.352 37.109 38.460 0.002 0.000 1.002 249 Y HN 0.400 nan 8.280 nan 0.000 0.537 250 L N -2.076 119.147 121.223 0.001 0.000 2.467 250 L HA 0.559 4.876 4.340 -0.037 0.000 0.213 250 L C 1.729 178.600 176.870 0.001 0.000 1.053 250 L CA 0.448 55.289 54.840 0.001 0.000 0.847 250 L CB -1.359 40.700 42.059 0.001 0.000 1.075 250 L HN 0.934 nan 8.230 nan 0.000 0.479 365 D N -1.573 118.830 120.400 0.005 0.000 2.645 365 D HA 1.037 5.655 4.640 -0.037 0.000 0.228 365 D C -0.163 176.139 176.300 0.003 0.000 1.148 365 D CA -0.005 53.997 54.000 0.003 0.000 0.860 365 D CB 1.851 42.652 40.800 0.001 0.000 1.548 365 D HN 1.660 nan 8.370 nan 0.000 0.460 366 K N -0.480 119.922 120.400 0.003 0.000 3.009 366 K HA 0.729 5.026 4.320 -0.037 0.000 0.228 366 K C 0.262 176.864 176.600 0.004 0.000 1.307 366 K CA 0.206 56.495 56.287 0.003 0.000 0.882 366 K CB -0.734 31.768 32.500 0.002 0.000 1.275 366 K HN 2.130 nan 8.250 nan 0.000 0.551 367 I N 0.422 120.995 120.570 0.004 0.000 3.437 367 I HA 0.803 4.951 4.170 -0.037 0.000 0.274 367 I C 1.712 177.832 176.117 0.005 0.000 1.215 367 I CA 0.012 61.316 61.300 0.005 0.000 1.215 367 I CB -0.324 37.680 38.000 0.007 0.000 1.441 367 I HN 1.402 nan 8.210 nan 0.000 0.677 368 V N 1.433 121.351 119.914 0.006 0.000 3.484 368 V HA 0.411 4.508 4.120 -0.037 0.000 0.304 368 V C 2.028 178.125 176.094 0.005 0.000 1.116 368 V CA 0.918 63.221 62.300 0.005 0.000 1.187 368 V CB -0.721 31.106 31.823 0.006 0.000 1.062 368 V HN 2.314 nan 8.190 nan 0.000 0.489 369 A N 1.954 124.777 122.820 0.005 0.000 1.958 369 A HA 0.393 4.691 4.320 -0.037 0.000 0.221 369 A C 1.315 178.902 177.584 0.006 0.000 1.178 369 A CA 2.819 54.859 52.037 0.004 0.000 0.642 369 A CB -0.439 18.564 19.000 0.004 0.000 0.816 369 A HN 2.958 nan 8.150 nan 0.000 0.453 370 A N -3.800 119.024 122.820 0.007 0.000 1.546 370 A HA 0.525 4.823 4.320 -0.037 0.000 0.249 370 A C -0.002 177.587 177.584 0.009 0.000 1.020 370 A CA 0.228 52.270 52.037 0.008 0.000 0.846 370 A CB -0.629 nan 19.000 nan 0.000 0.982 370 A HN 1.610 nan 8.150 nan 0.000 0.341 371 I N -0.442 120.134 120.570 0.010 0.000 4.398 371 I HA 0.667 4.814 4.170 -0.037 0.000 0.310 371 I C 0.857 176.981 176.117 0.012 0.000 1.232 371 I CA 1.969 63.275 61.300 0.010 0.000 1.312 371 I CB -1.262 36.743 38.000 0.009 0.000 1.347 371 I HN 1.190 nan 8.210 nan 0.000 0.454 372 D N 0.661 121.070 120.400 0.015 0.000 2.414 372 D HA 0.667 5.285 4.640 -0.037 0.000 0.251 372 D C -0.849 175.463 176.300 0.021 0.000 1.252 372 D CA 0.037 54.048 54.000 0.019 0.000 0.999 372 D CB 0.082 40.896 40.800 0.023 0.000 1.093 372 D HN 0.580 nan 8.370 nan 0.000 0.515 373 P HA 0.660 nan 4.420 nan 0.000 0.531 373 P C 0.081 177.401 177.300 0.034 0.000 0.807 373 P CA 1.801 64.916 63.100 0.025 0.000 2.484 373 P CB 0.561 32.271 31.700 0.017 0.000 1.139 374 E N -1.413 118.807 120.200 0.035 0.000 2.393 374 E HA 0.639 4.967 4.350 -0.037 0.000 0.265 374 E C 0.014 176.654 176.600 0.065 0.000 0.941 374 E CA 0.305 56.730 56.400 0.041 0.000 0.801 374 E CB -0.026 29.683 29.700 0.015 0.000 1.313 374 E HN 0.506 nan 8.360 nan 0.000 0.435 375 E N -0.160 120.091 120.200 0.084 0.000 1.939 375 E HA 0.485 4.813 4.350 -0.037 0.000 0.259 375 E C 0.200 176.849 176.600 0.083 0.000 1.259 375 E CA 0.539 57.025 56.400 0.142 0.000 0.971 375 E CB -0.991 28.826 29.700 0.196 0.000 1.055 375 E HN 1.072 nan 8.360 nan 0.000 0.420 376 E N -1.009 119.233 120.200 0.070 0.000 2.450 376 E HA 0.845 5.173 4.350 -0.037 0.000 0.272 376 E C -0.334 176.291 176.600 0.043 0.000 0.967 376 E CA -0.154 56.274 56.400 0.046 0.000 0.818 376 E CB 1.335 31.053 29.700 0.031 0.000 1.401 376 E HN 1.587 nan 8.360 nan 0.000 0.450 377 V N -0.477 119.455 119.914 0.031 0.000 2.384 377 V HA 0.733 4.831 4.120 -0.037 0.000 0.287 377 V C 0.855 176.961 176.094 0.019 0.000 1.020 377 V CA 0.018 62.333 62.300 0.025 0.000 0.850 377 V CB 0.840 32.676 31.823 0.022 0.000 0.987 377 V HN 1.642 nan 8.190 nan 0.000 0.436 378 I N 3.775 124.356 120.570 0.017 0.000 3.764 378 I HA 0.657 4.805 4.170 -0.037 0.000 0.336 378 I C 1.518 177.641 176.117 0.011 0.000 1.465 378 I CA 0.663 61.971 61.300 0.014 0.000 1.221 378 I CB -0.533 37.476 38.000 0.014 0.000 1.348 378 I HN 1.148 nan 8.210 nan 0.000 0.432 379 A N 0.265 123.091 122.820 0.011 0.000 1.902 379 A HA 0.355 4.653 4.320 -0.037 0.000 0.217 379 A C 1.283 178.872 177.584 0.008 0.000 1.181 379 A CA 2.059 54.101 52.037 0.008 0.000 0.623 379 A CB -0.194 18.811 19.000 0.008 0.000 0.818 379 A HN 1.792 nan 8.150 nan 0.000 0.443 380 E N -2.463 117.741 120.200 0.008 0.000 2.380 380 E HA 0.597 4.924 4.350 -0.037 0.000 0.281 380 E C -0.513 176.092 176.600 0.008 0.000 0.999 380 E CA -0.233 56.171 56.400 0.007 0.000 0.800 380 E CB 0.517 30.221 29.700 0.006 0.000 1.228 380 E HN 1.507 nan 8.360 nan 0.000 0.436 381 A N 0.517 123.342 122.820 0.008 0.000 3.092 381 A HA 0.504 4.802 4.320 -0.037 0.000 0.278 381 A C 1.012 178.600 177.584 0.008 0.000 1.956 381 A CA 1.474 53.517 52.037 0.009 0.000 1.501 381 A CB -1.528 17.477 19.000 0.008 0.000 0.977 381 A HN 1.272 nan 8.150 nan 0.000 0.607 382 E N 0.913 121.118 120.200 0.008 0.000 2.329 382 E HA 0.365 4.693 4.350 -0.037 0.000 0.189 382 E C 1.365 177.970 176.600 0.008 0.000 0.997 382 E CA 0.281 56.685 56.400 0.007 0.000 1.062 382 E CB -0.846 28.858 29.700 0.006 0.000 1.260 382 E HN 1.079 nan 8.360 nan 0.000 0.490 383 G N 0.612 109.418 108.800 0.010 0.000 2.661 383 G HA2 0.508 4.446 3.960 -0.037 0.000 0.292 383 G HA3 0.508 4.446 3.960 -0.037 0.000 0.292 383 G C 0.203 175.112 174.900 0.015 0.000 0.781 383 G CA 0.746 45.853 45.100 0.012 0.000 1.860 383 G HN 1.099 nan 8.290 nan 0.000 0.512 384 V N 0.437 120.357 119.914 0.010 0.000 3.181 384 V HA 0.960 5.058 4.120 -0.037 0.000 0.314 384 V C -0.026 176.066 176.094 -0.002 0.000 1.173 384 V CA -0.649 61.657 62.300 0.010 0.000 1.052 384 V CB 2.045 33.871 31.823 0.006 0.000 1.123 384 V HN 1.476 nan 8.190 nan 0.000 0.454 385 V N -0.012 119.894 119.914 -0.012 0.000 3.055 385 V HA 0.616 4.714 4.120 -0.037 0.000 0.249 385 V C -0.367 175.689 176.094 -0.062 0.000 1.006 385 V CA 0.240 62.511 62.300 -0.048 0.000 0.960 385 V CB 0.169 31.947 31.823 -0.076 0.000 1.030 385 V HN 2.415 nan 8.190 nan 0.000 0.508 386 H N 2.352 121.393 119.070 -0.048 0.000 2.761 386 H HA 1.083 5.617 4.556 -0.037 0.000 0.284 386 H C -0.197 175.095 175.328 -0.060 0.000 1.105 386 H CA 0.586 56.610 56.048 -0.040 0.000 1.352 386 H CB 1.204 30.954 29.762 -0.019 0.000 1.423 386 H HN 2.546 nan 8.280 nan 0.000 0.464 387 L N 0.248 121.422 121.223 -0.081 0.000 2.813 387 L HA 0.936 5.254 4.340 -0.037 0.000 0.233 387 L C 0.706 177.543 176.870 -0.056 0.000 1.313 387 L CA -0.061 54.728 54.840 -0.085 0.000 1.390 387 L CB -0.371 nan 42.059 nan 0.000 1.671 387 L HN 1.461 nan 8.230 nan 0.000 0.481 388 H N 0.228 119.265 119.070 -0.056 0.000 2.344 388 H HA 0.786 5.319 4.556 -0.037 0.000 0.333 388 H C -0.102 175.245 175.328 0.031 0.000 1.607 388 H CA 0.288 56.329 56.048 -0.012 0.000 1.455 388 H CB 0.433 30.191 29.762 -0.007 0.000 1.716 388 H HN 1.069 nan 8.280 nan 0.000 0.646 389 E N 0.463 120.694 120.200 0.052 0.000 2.914 389 E HA 0.270 4.598 4.350 -0.037 0.000 0.246 389 E C -3.363 173.276 176.600 0.066 0.000 1.146 389 E CA -2.122 54.336 56.400 0.097 0.000 0.803 389 E CB 0.935 30.679 29.700 0.074 0.000 1.409 389 E HN 0.375 nan 8.360 nan 0.000 0.392 390 P HA 0.210 nan 4.420 nan 0.000 0.271 390 P C -0.533 176.791 177.300 0.040 0.000 1.216 390 P CA -0.109 63.010 63.100 0.031 0.000 0.776 390 P CB 1.018 32.788 31.700 0.117 0.000 0.881 391 A N 2.117 124.933 122.820 -0.007 0.000 3.047 391 A HA 0.358 4.655 4.320 -0.037 0.000 0.337 391 A C 0.286 177.846 177.584 -0.040 0.000 1.143 391 A CA -0.237 51.834 52.037 0.057 0.000 0.905 391 A CB -0.322 18.772 19.000 0.157 0.000 1.088 391 A HN 0.373 nan 8.150 nan 0.000 0.488 392 S N 1.951 117.635 115.700 -0.027 0.000 2.448 392 S HA 0.482 4.929 4.470 -0.037 0.000 0.279 392 S C 0.089 174.616 174.600 -0.121 0.000 1.195 392 S CA -0.436 57.725 58.200 -0.064 0.000 1.051 392 S CB -0.477 62.750 63.200 0.044 0.000 0.948 392 S HN 0.464 nan 8.310 nan 0.000 0.493 393 I N 5.701 126.101 120.570 -0.284 0.000 2.396 393 I HA 0.281 4.429 4.170 -0.037 0.000 0.289 393 I C -0.275 175.773 176.117 -0.115 0.000 1.056 393 I CA -0.204 60.946 61.300 -0.250 0.000 1.365 393 I CB 0.436 38.159 38.000 -0.462 0.000 1.407 393 I HN 0.384 nan 8.210 nan 0.000 0.509 394 L N 7.070 128.271 121.223 -0.038 0.000 2.295 394 L HA 0.335 4.653 4.340 -0.037 0.000 0.281 394 L C -0.146 176.730 176.870 0.011 0.000 1.018 394 L CA -0.845 53.985 54.840 -0.017 0.000 0.841 394 L CB 1.671 43.739 42.059 0.015 0.000 1.218 394 L HN 0.390 nan 8.230 nan 0.000 0.424 395 V N 5.458 125.376 119.914 0.006 0.000 2.356 395 V HA 0.087 4.184 4.120 -0.037 0.000 0.244 395 V C 0.205 176.315 176.094 0.028 0.000 1.120 395 V CA 0.392 62.714 62.300 0.036 0.000 1.181 395 V CB 0.079 31.931 31.823 0.048 0.000 1.244 395 V HN 0.459 nan 8.190 nan 0.000 0.487 396 V N 4.770 124.693 119.914 0.015 0.000 3.120 396 V HA 0.400 4.498 4.120 -0.037 0.000 0.303 396 V C -0.442 175.625 176.094 -0.045 0.000 1.238 396 V CA -1.530 60.761 62.300 -0.015 0.000 1.008 396 V CB 2.802 34.629 31.823 0.007 0.000 1.064 396 V HN 0.773 nan 8.190 nan 0.000 0.434 397 K N 2.316 122.646 120.400 -0.116 0.000 2.248 397 K HA 0.835 5.133 4.320 -0.037 0.000 0.281 397 K C -0.334 176.216 176.600 -0.084 0.000 1.054 397 K CA -0.211 55.999 56.287 -0.128 0.000 0.903 397 K CB 1.695 34.038 32.500 -0.262 0.000 1.077 397 K HN 0.755 nan 8.250 nan 0.000 0.474 398 A N 4.703 127.503 122.820 -0.033 0.000 2.274 398 A HA 0.369 4.667 4.320 -0.037 0.000 0.309 398 A C -0.527 177.065 177.584 0.013 0.000 1.226 398 A CA -0.928 51.106 52.037 -0.005 0.000 0.853 398 A CB 0.439 19.446 19.000 0.012 0.000 1.146 398 A HN 0.840 nan 8.150 nan 0.000 0.518 399 R N 1.719 122.235 120.500 0.027 0.000 2.668 399 R HA 0.594 4.911 4.340 -0.037 0.000 0.279 399 R C -0.111 176.234 176.300 0.075 0.000 0.976 399 R CA -0.692 55.442 56.100 0.057 0.000 0.978 399 R CB 1.818 32.156 30.300 0.064 0.000 1.133 399 R HN 0.454 nan 8.270 nan 0.000 0.484 400 V N 0.814 120.804 119.914 0.127 0.000 3.350 400 V HA 0.087 4.184 4.120 -0.037 0.000 0.246 400 V C -0.506 175.733 176.094 0.241 0.000 1.363 400 V CA 0.356 62.759 62.300 0.172 0.000 1.162 400 V CB 0.371 32.321 31.823 0.212 0.000 0.947 400 V HN 0.640 nan 8.190 nan 0.000 0.454 401 Y N 1.311 121.631 120.300 0.034 0.000 2.557 401 Y HA 0.509 5.037 4.550 -0.037 0.000 0.352 401 Y C -2.438 173.511 175.900 0.081 0.000 0.918 401 Y CA -3.133 54.993 58.100 0.044 0.000 1.232 401 Y CB -0.015 38.495 38.460 0.084 0.000 1.235 401 Y HN 0.301 nan 8.280 nan 0.000 0.596 402 P HA 0.115 nan 4.420 nan 0.000 0.272 402 P C -0.401 176.947 177.300 0.079 0.000 1.223 402 P CA 0.277 63.449 63.100 0.120 0.000 0.784 402 P CB 1.015 32.755 31.700 0.067 0.000 0.923 403 F N 0.263 120.237 119.950 0.039 0.000 2.629 403 F HA 0.362 4.866 4.527 -0.037 0.000 0.386 403 F C 0.474 176.285 175.800 0.018 0.000 1.135 403 F CA -0.431 57.585 58.000 0.026 0.000 1.116 403 F CB 1.163 40.186 39.000 0.039 0.000 1.426 403 F HN 0.298 nan 8.300 nan 0.000 0.501 404 E N 0.718 121.117 120.200 0.332 0.000 2.129 404 E HA 0.262 4.590 4.350 -0.037 0.000 0.268 404 E C -1.802 174.894 176.600 0.161 0.000 0.900 404 E CA -0.728 55.776 56.400 0.174 0.000 0.755 404 E CB 1.797 31.561 29.700 0.107 0.000 1.117 404 E HN 0.306 nan 8.360 nan 0.000 0.410 405 D N 4.279 124.740 120.400 0.102 0.000 2.440 405 D HA -0.013 4.604 4.640 -0.037 0.000 0.252 405 D C -0.045 176.282 176.300 0.046 0.000 1.180 405 D CA -0.380 53.661 54.000 0.068 0.000 0.894 405 D CB 1.105 41.939 40.800 0.056 0.000 1.111 405 D HN 0.649 nan 8.370 nan 0.000 0.544 406 D N 2.555 122.978 120.400 0.039 0.000 2.403 406 D HA -0.112 4.506 4.640 -0.037 0.000 0.227 406 D C 1.645 177.956 176.300 0.019 0.000 0.995 406 D CA 0.084 54.101 54.000 0.028 0.000 0.928 406 D CB 0.240 41.055 40.800 0.025 0.000 0.887 406 D HN 0.157 nan 8.370 nan 0.000 0.529 407 V N 0.579 120.504 119.914 0.017 0.000 2.214 407 V HA -0.248 3.850 4.120 -0.037 0.000 0.247 407 V C 1.585 177.685 176.094 0.009 0.000 1.051 407 V CA 1.835 64.141 62.300 0.010 0.000 1.003 407 V CB -0.567 31.260 31.823 0.007 0.000 0.635 407 V HN 0.268 nan 8.190 nan 0.000 0.447 408 E N -0.815 119.390 120.200 0.009 0.000 2.790 408 E HA 0.378 4.706 4.350 -0.037 0.000 0.256 408 E C -0.616 175.992 176.600 0.013 0.000 1.246 408 E CA -0.789 55.616 56.400 0.009 0.000 1.041 408 E CB 0.817 30.520 29.700 0.006 0.000 1.272 408 E HN 0.106 nan 8.360 nan 0.000 0.603 409 V N 2.177 122.099 119.914 0.014 0.000 2.521 409 V HA -0.054 4.044 4.120 -0.037 0.000 0.286 409 V C 0.105 176.209 176.094 0.018 0.000 1.034 409 V CA -0.189 62.120 62.300 0.014 0.000 1.045 409 V CB 0.363 32.194 31.823 0.013 0.000 0.974 409 V HN 0.790 nan 8.190 nan 0.000 0.480 410 S N 3.083 118.793 115.700 0.018 0.000 4.176 410 S HA -0.135 4.313 4.470 -0.037 0.000 0.501 410 S C 0.280 174.893 174.600 0.023 0.000 0.996 410 S CA 0.539 58.752 58.200 0.021 0.000 1.361 410 S CB -0.536 62.671 63.200 0.012 0.000 0.860 410 S HN 1.003 nan 8.310 nan 0.000 0.534 411 T N 3.540 118.114 114.554 0.033 0.000 2.780 411 T HA 0.570 4.898 4.350 -0.037 0.000 0.294 411 T C 1.374 176.102 174.700 0.046 0.000 0.949 411 T CA 0.945 63.069 62.100 0.040 0.000 1.074 411 T CB 0.103 68.997 68.868 0.043 0.000 0.910 411 T HN 1.844 nan 8.240 nan 0.000 0.501 412 G N 4.741 113.568 108.800 0.044 0.000 3.226 412 G HA2 -0.151 3.786 3.960 -0.037 0.000 0.270 412 G HA3 -0.151 3.786 3.960 -0.037 0.000 0.270 412 G C -0.233 174.673 174.900 0.010 0.000 1.592 412 G CA 0.437 45.561 45.100 0.041 0.000 1.055 412 G HN 0.932 nan 8.290 nan 0.000 0.582 413 D N -1.077 119.319 120.400 -0.006 0.000 2.779 413 D HA 0.522 5.140 4.640 -0.037 0.000 0.331 413 D C -0.336 175.904 176.300 -0.100 0.000 1.331 413 D CA -0.714 53.255 54.000 -0.051 0.000 0.866 413 D CB 1.109 41.874 40.800 -0.059 0.000 1.409 413 D HN 0.336 nan 8.370 nan 0.000 0.486 414 R N -0.203 120.194 120.500 -0.171 0.000 2.893 414 R HA 0.427 4.745 4.340 -0.037 0.000 0.223 414 R C 1.516 177.568 176.300 -0.413 0.000 1.433 414 R CA -0.521 55.397 56.100 -0.304 0.000 1.063 414 R CB -0.515 29.622 30.300 -0.272 0.000 1.758 414 R HN 0.252 nan 8.270 nan 0.000 0.524 415 V N 0.368 119.914 119.914 -0.612 0.000 2.214 415 V HA -0.253 3.845 4.120 -0.037 0.000 0.247 415 V C 1.794 177.543 176.094 -0.576 0.000 1.051 415 V CA 3.094 64.992 62.300 -0.671 0.000 1.003 415 V CB -0.771 30.693 31.823 -0.598 0.000 0.635 415 V HN 0.885 nan 8.190 nan 0.000 0.447 416 A N -1.729 120.853 122.820 -0.396 0.000 1.817 416 A HA 0.348 4.645 4.320 -0.037 0.000 0.204 416 A C -0.262 177.212 177.584 -0.183 0.000 1.741 416 A CA 0.467 52.337 52.037 -0.278 0.000 1.196 416 A CB -1.150 17.707 19.000 -0.238 0.000 1.211 416 A HN 0.507 nan 8.150 nan 0.000 0.450 417 P HA 0.078 nan 4.420 nan 0.000 0.201 417 P C 1.109 178.345 177.300 -0.107 0.000 0.995 417 P CA 1.278 64.308 63.100 -0.116 0.000 0.866 417 P CB -0.615 31.022 31.700 -0.105 0.000 0.652 418 G N 0.637 109.373 108.800 -0.106 0.000 2.353 418 G HA2 0.149 4.086 3.960 -0.037 0.000 0.239 418 G HA3 0.149 4.086 3.960 -0.037 0.000 0.239 418 G C -0.614 174.232 174.900 -0.090 0.000 1.295 418 G CA -0.032 45.016 45.100 -0.086 0.000 0.884 418 G HN 0.228 nan 8.290 nan 0.000 0.537 419 D N 2.574 122.935 120.400 -0.065 0.000 2.363 419 D HA 0.130 4.748 4.640 -0.037 0.000 0.258 419 D C 1.198 177.475 176.300 -0.038 0.000 1.259 419 D CA -0.424 53.543 54.000 -0.056 0.000 0.921 419 D CB 1.523 42.290 40.800 -0.054 0.000 1.201 419 D HN 0.155 nan 8.370 nan 0.000 0.524 420 V N 0.718 120.613 119.914 -0.031 0.000 2.719 420 V HA -0.085 4.013 4.120 -0.037 0.000 0.252 420 V C 1.587 177.673 176.094 -0.013 0.000 1.065 420 V CA 0.474 62.763 62.300 -0.019 0.000 1.086 420 V CB -0.814 31.001 31.823 -0.013 0.000 0.700 420 V HN 0.498 nan 8.190 nan 0.000 0.467 421 L N 0.510 121.726 121.223 -0.010 0.000 2.554 421 L HA 0.421 4.739 4.340 -0.037 0.000 0.293 421 L C 0.489 177.353 176.870 -0.010 0.000 1.252 421 L CA -0.088 54.750 54.840 -0.003 0.000 0.862 421 L CB -0.097 41.962 42.059 -0.000 0.000 1.113 421 L HN 0.087 nan 8.230 nan 0.000 0.510 422 A N 2.365 125.180 122.820 -0.009 0.000 2.346 422 A HA 0.323 4.621 4.320 -0.037 0.000 0.252 422 A C 0.082 177.655 177.584 -0.018 0.000 1.089 422 A CA -0.520 51.507 52.037 -0.017 0.000 0.797 422 A CB 0.118 19.105 19.000 -0.021 0.000 1.047 422 A HN 0.930 nan 8.150 nan 0.000 0.494 423 D N 0.135 120.521 120.400 -0.022 0.000 2.398 423 D HA 0.311 4.929 4.640 -0.037 0.000 0.264 423 D C 0.936 177.220 176.300 -0.027 0.000 1.263 423 D CA 0.419 54.406 54.000 -0.023 0.000 1.037 423 D CB -0.187 40.600 40.800 -0.022 0.000 1.101 423 D HN 0.641 nan 8.370 nan 0.000 0.551 424 G N -1.167 107.618 108.800 -0.025 0.000 2.595 424 G HA2 0.348 4.286 3.960 -0.037 0.000 0.287 424 G HA3 0.348 4.286 3.960 -0.037 0.000 0.287 424 G C 0.591 175.462 174.900 -0.049 0.000 0.660 424 G CA 0.443 45.525 45.100 -0.031 0.000 2.101 424 G HN 0.537 nan 8.290 nan 0.000 0.529 425 G N 0.927 109.689 108.800 -0.065 0.000 3.394 425 G HA2 0.312 4.250 3.960 -0.037 0.000 0.132 425 G HA3 0.312 4.250 3.960 -0.037 0.000 0.132 425 G C -0.354 174.482 174.900 -0.107 0.000 1.220 425 G CA -0.231 44.815 45.100 -0.090 0.000 1.421 425 G HN 0.448 nan 8.290 nan 0.000 0.711 426 K N 1.242 121.590 120.400 -0.086 0.000 2.604 426 K HA 0.619 4.917 4.320 -0.037 0.000 0.247 426 K C -1.678 174.881 176.600 -0.068 0.000 0.956 426 K CA -0.210 56.023 56.287 -0.091 0.000 0.896 426 K CB 1.419 33.859 32.500 -0.101 0.000 1.131 426 K HN 0.260 nan 8.250 nan 0.000 0.440 427 V N 4.341 124.225 119.914 -0.050 0.000 2.623 427 V HA 0.399 4.497 4.120 -0.037 0.000 0.304 427 V C -0.607 175.493 176.094 0.009 0.000 1.054 427 V CA -1.109 61.178 62.300 -0.022 0.000 0.882 427 V CB 1.781 33.603 31.823 -0.002 0.000 1.002 427 V HN 0.648 nan 8.190 nan 0.000 0.424 428 K N 2.092 122.502 120.400 0.016 0.000 2.281 428 K HA 0.629 4.927 4.320 -0.037 0.000 0.272 428 K C 0.434 177.131 176.600 0.161 0.000 1.048 428 K CA -0.256 56.100 56.287 0.115 0.000 0.898 428 K CB 1.648 34.169 32.500 0.034 0.000 1.128 428 K HN 0.669 nan 8.250 nan 0.000 0.460 429 S N 2.763 118.571 115.700 0.179 0.000 2.970 429 S HA 0.142 4.589 4.470 -0.037 0.000 0.165 429 S C 0.427 175.058 174.600 0.053 0.000 0.813 429 S CA -0.064 58.203 58.200 0.112 0.000 1.195 429 S CB -0.148 63.127 63.200 0.125 0.000 0.633 429 S HN 0.631 nan 8.310 nan 0.000 0.543 430 D N 0.326 120.696 120.400 -0.049 0.000 2.311 430 D HA 0.191 4.808 4.640 -0.037 0.000 0.278 430 D C 1.795 177.893 176.300 -0.337 0.000 1.189 430 D CA 0.005 53.877 54.000 -0.214 0.000 1.117 430 D CB -0.280 40.328 40.800 -0.320 0.000 1.168 430 D HN 0.201 nan 8.370 nan 0.000 0.509 431 V N 0.176 119.781 119.914 -0.516 0.000 2.490 431 V HA -0.159 3.939 4.120 -0.037 0.000 0.250 431 V C 0.088 176.037 176.094 -0.243 0.000 1.061 431 V CA 1.378 63.403 62.300 -0.459 0.000 1.064 431 V CB -0.553 31.045 31.823 -0.375 0.000 0.670 431 V HN 0.202 nan 8.190 nan 0.000 0.461 432 Y N 0.294 120.602 120.300 0.013 0.000 2.411 432 Y HA 0.524 5.051 4.550 -0.037 0.000 0.333 432 Y C 1.256 177.264 175.900 0.180 0.000 1.186 432 Y CA -0.545 57.603 58.100 0.080 0.000 1.381 432 Y CB 0.292 38.787 38.460 0.058 0.000 1.273 432 Y HN -0.034 nan 8.280 nan 0.000 0.546 433 G N 2.382 111.396 108.800 0.356 0.000 3.695 433 G HA2 0.202 4.140 3.960 -0.037 0.000 0.277 433 G HA3 0.202 4.140 3.960 -0.037 0.000 0.277 433 G C 0.217 175.176 174.900 0.099 0.000 1.001 433 G CA -0.376 44.905 45.100 0.301 0.000 0.837 433 G HN 0.280 nan 8.290 nan 0.000 0.492 434 R N 0.074 120.622 120.500 0.080 0.000 2.686 434 R HA 0.632 4.949 4.340 -0.037 0.000 0.283 434 R C -1.670 174.636 176.300 0.010 0.000 0.978 434 R CA -0.584 55.513 56.100 -0.004 0.000 0.897 434 R CB 2.479 32.739 30.300 -0.066 0.000 1.192 434 R HN -0.061 nan 8.270 nan 0.000 0.457 435 V N 2.750 122.656 119.914 -0.013 0.000 2.447 435 V HA 0.288 4.386 4.120 -0.037 0.000 0.292 435 V C -0.368 175.715 176.094 -0.019 0.000 1.021 435 V CA -0.798 61.501 62.300 -0.002 0.000 0.850 435 V CB 1.889 33.721 31.823 0.014 0.000 1.005 435 V HN 0.648 nan 8.190 nan 0.000 0.426 436 E N 2.793 122.985 120.200 -0.014 0.000 2.248 436 E HA 0.717 5.045 4.350 -0.037 0.000 0.272 436 E C -0.974 175.623 176.600 -0.006 0.000 1.008 436 E CA -0.531 55.861 56.400 -0.013 0.000 0.856 436 E CB 2.312 32.012 29.700 -0.001 0.000 1.120 436 E HN 0.464 nan 8.360 nan 0.000 0.397 437 V N 1.351 121.261 119.914 -0.007 0.000 2.656 437 V HA 0.326 4.424 4.120 -0.037 0.000 0.307 437 V C -1.047 175.043 176.094 -0.006 0.000 1.051 437 V CA -0.856 61.439 62.300 -0.008 0.000 0.893 437 V CB 1.879 33.694 31.823 -0.014 0.000 0.999 437 V HN 0.715 nan 8.190 nan 0.000 0.426 438 D N 3.051 123.447 120.400 -0.006 0.000 2.440 438 D HA 0.402 5.020 4.640 -0.037 0.000 0.252 438 D C 0.624 176.917 176.300 -0.011 0.000 1.180 438 D CA -0.410 53.586 54.000 -0.007 0.000 0.894 438 D CB 1.327 42.125 40.800 -0.003 0.000 1.111 438 D HN 0.425 nan 8.370 nan 0.000 0.544 439 L N 2.983 124.198 121.223 -0.014 0.000 2.633 439 L HA -0.025 4.293 4.340 -0.037 0.000 0.235 439 L C 1.704 178.566 176.870 -0.014 0.000 1.163 439 L CA -0.006 54.824 54.840 -0.017 0.000 0.859 439 L CB -0.198 41.851 42.059 -0.018 0.000 0.973 439 L HN 0.434 nan 8.230 nan 0.000 0.451 440 V N -0.316 119.591 119.914 -0.011 0.000 2.245 440 V HA -0.221 3.877 4.120 -0.037 0.000 0.233 440 V C 1.531 177.625 176.094 0.001 0.000 1.028 440 V CA 1.408 63.703 62.300 -0.008 0.000 0.991 440 V CB -0.308 31.508 31.823 -0.011 0.000 0.640 440 V HN 0.438 nan 8.190 nan 0.000 0.461 441 R N 0.751 121.257 120.500 0.010 0.000 2.532 441 R HA 0.174 4.492 4.340 -0.037 0.000 0.272 441 R C -0.030 176.281 176.300 0.018 0.000 1.032 441 R CA -0.594 55.523 56.100 0.028 0.000 1.089 441 R CB 0.365 30.692 30.300 0.045 0.000 1.098 441 R HN 0.430 nan 8.270 nan 0.000 0.526 442 N N 2.286 120.997 118.700 0.017 0.000 3.117 442 N HA 0.023 4.741 4.740 -0.037 0.000 0.323 442 N C -0.759 174.756 175.510 0.009 0.000 1.245 442 N CA 0.232 53.269 53.050 -0.022 0.000 1.191 442 N CB 0.099 38.523 38.487 -0.105 0.000 1.451 442 N HN 0.230 nan 8.380 nan 0.000 0.555 443 V N 0.940 120.864 119.914 0.017 0.000 2.267 443 V HA 0.040 4.137 4.120 -0.037 0.000 0.254 443 V C 0.831 176.932 176.094 0.013 0.000 1.144 443 V CA -0.692 61.623 62.300 0.025 0.000 0.992 443 V CB 0.844 32.682 31.823 0.025 0.000 1.199 443 V HN 0.091 nan 8.190 nan 0.000 0.493 444 V N 6.630 126.551 119.914 0.012 0.000 2.341 444 V HA 0.313 4.411 4.120 -0.037 0.000 0.248 444 V C 0.813 176.914 176.094 0.013 0.000 1.107 444 V CA -0.362 61.943 62.300 0.008 0.000 1.069 444 V CB 0.057 31.885 31.823 0.008 0.000 1.177 444 V HN 0.832 nan 8.190 nan 0.000 0.492 445 R N 4.468 124.974 120.500 0.009 0.000 2.404 445 R HA 0.326 4.644 4.340 -0.037 0.000 0.315 445 R C -0.546 175.757 176.300 0.004 0.000 1.032 445 R CA 0.210 56.313 56.100 0.006 0.000 0.992 445 R CB 0.781 31.087 30.300 0.011 0.000 0.959 445 R HN 0.599 nan 8.270 nan 0.000 0.428 446 V N 5.727 125.635 119.914 -0.010 0.000 2.284 446 V HA 0.199 4.297 4.120 -0.037 0.000 0.274 446 V C 0.257 176.333 176.094 -0.030 0.000 1.023 446 V CA -0.871 61.430 62.300 0.002 0.000 0.808 446 V CB 1.019 32.862 31.823 0.033 0.000 1.035 446 V HN 0.598 nan 8.190 nan 0.000 0.445 447 V N 3.795 123.712 119.914 0.005 0.000 3.441 447 V HA 0.349 4.447 4.120 -0.037 0.000 0.300 447 V C 0.988 177.125 176.094 0.070 0.000 1.091 447 V CA 0.560 62.868 62.300 0.013 0.000 1.099 447 V CB 1.753 33.589 31.823 0.022 0.000 1.138 447 V HN 0.852 nan 8.190 nan 0.000 0.471 448 E N 1.061 121.318 120.200 0.096 0.000 2.372 448 E HA 0.223 4.551 4.350 -0.037 0.000 0.201 448 E C 1.180 177.914 176.600 0.223 0.000 0.938 448 E CA 0.572 57.105 56.400 0.222 0.000 0.944 448 E CB 0.194 30.019 29.700 0.209 0.000 0.937 448 E HN 0.753 nan 8.360 nan 0.000 0.495 449 S N -0.548 115.242 115.700 0.150 0.000 2.580 449 S HA 0.100 4.547 4.470 -0.037 0.000 0.266 449 S C -0.531 174.205 174.600 0.226 0.000 1.354 449 S CA -0.317 57.977 58.200 0.156 0.000 1.008 449 S CB 0.242 63.494 63.200 0.086 0.000 0.898 449 S HN 0.128 nan 8.310 nan 0.000 0.555 450 Y N 0.163 120.484 120.300 0.034 0.000 2.853 450 Y HA 0.355 4.883 4.550 -0.037 0.000 0.332 450 Y C 0.387 176.301 175.900 0.024 0.000 1.229 450 Y CA -0.936 57.178 58.100 0.024 0.000 1.177 450 Y CB 0.633 39.105 38.460 0.020 0.000 1.435 450 Y HN 0.585 nan 8.280 nan 0.000 0.659 451 D N 2.364 122.629 120.400 -0.225 0.000 2.745 451 D HA 0.024 4.642 4.640 -0.037 0.000 0.229 451 D C -0.124 176.197 176.300 0.035 0.000 1.088 451 D CA 0.509 54.416 54.000 -0.156 0.000 1.054 451 D CB -0.829 39.814 40.800 -0.262 0.000 1.132 451 D HN 0.334 nan 8.370 nan 0.000 0.464 452 I N 1.140 121.761 120.570 0.084 0.000 2.460 452 I HA -0.069 4.078 4.170 -0.037 0.000 0.297 452 I C 0.352 176.528 176.117 0.097 0.000 1.139 452 I CA -0.183 61.188 61.300 0.118 0.000 1.340 452 I CB 0.108 38.207 38.000 0.165 0.000 1.444 452 I HN -0.101 nan 8.210 nan 0.000 0.557 453 D N 7.825 128.260 120.400 0.058 0.000 2.356 453 D HA 0.138 4.756 4.640 -0.037 0.000 0.272 453 D C -0.384 175.919 176.300 0.005 0.000 1.337 453 D CA 0.202 54.218 54.000 0.027 0.000 0.970 453 D CB 0.656 41.463 40.800 0.013 0.000 1.092 453 D HN 0.609 nan 8.370 nan 0.000 0.516 454 A N 5.129 127.940 122.820 -0.016 0.000 2.287 454 A HA 0.652 4.950 4.320 -0.037 0.000 0.317 454 A C -0.072 177.415 177.584 -0.161 0.000 1.220 454 A CA -0.672 51.279 52.037 -0.144 0.000 0.835 454 A CB 1.023 19.814 19.000 -0.348 0.000 1.180 454 A HN 0.572 nan 8.150 nan 0.000 0.500 455 R N 1.958 122.370 120.500 -0.147 0.000 2.774 455 R HA 0.756 5.073 4.340 -0.037 0.000 0.272 455 R C -0.896 175.338 176.300 -0.110 0.000 1.000 455 R CA -0.812 55.219 56.100 -0.115 0.000 0.906 455 R CB 2.259 32.516 30.300 -0.072 0.000 1.227 455 R HN 0.836 nan 8.270 nan 0.000 0.468 456 M N -0.353 119.190 119.600 -0.095 0.000 2.531 456 M HA 0.722 5.180 4.480 -0.037 0.000 0.286 456 M C -0.186 176.076 176.300 -0.064 0.000 1.232 456 M CA -0.417 54.846 55.300 -0.063 0.000 0.877 456 M CB 1.320 33.871 32.600 -0.082 0.000 1.726 456 M HN 0.713 nan 8.290 nan 0.000 0.463 457 G N 1.133 109.902 108.800 -0.051 0.000 2.756 457 G HA2 0.166 4.104 3.960 -0.037 0.000 0.678 457 G HA3 0.166 4.104 3.960 -0.037 0.000 0.678 457 G C 0.476 175.243 174.900 -0.220 0.000 1.349 457 G CA 0.204 45.221 45.100 -0.138 0.000 0.847 457 G HN 1.888 nan 8.290 nan 0.000 0.548 458 A N -0.443 122.186 122.820 -0.318 0.000 2.054 458 A HA -0.146 4.151 4.320 -0.037 0.000 0.223 458 A C 2.111 179.582 177.584 -0.187 0.000 1.169 458 A CA 2.781 54.626 52.037 -0.321 0.000 0.655 458 A CB -0.546 18.295 19.000 -0.266 0.000 0.812 458 A HN 1.176 nan 8.150 nan 0.000 0.462 459 E N -0.292 119.826 120.200 -0.138 0.000 2.021 459 E HA -0.179 4.149 4.350 -0.037 0.000 0.200 459 E C 2.267 178.818 176.600 -0.082 0.000 1.015 459 E CA 1.345 57.690 56.400 -0.093 0.000 0.824 459 E CB -0.355 29.299 29.700 -0.077 0.000 0.762 459 E HN 0.563 nan 8.360 nan 0.000 0.454 460 A N 1.252 124.025 122.820 -0.079 0.000 1.903 460 A HA -0.231 4.067 4.320 -0.037 0.000 0.219 460 A C 2.140 179.696 177.584 -0.048 0.000 1.191 460 A CA 1.954 53.959 52.037 -0.054 0.000 0.638 460 A CB -0.746 18.230 19.000 -0.039 0.000 0.823 460 A HN 0.401 nan 8.150 nan 0.000 0.451 461 I N -0.265 120.260 120.570 -0.074 0.000 2.315 461 I HA -0.234 3.913 4.170 -0.037 0.000 0.248 461 I C 2.591 178.671 176.117 -0.061 0.000 1.117 461 I CA 1.772 63.036 61.300 -0.059 0.000 1.404 461 I CB -1.661 36.258 38.000 -0.134 0.000 1.071 461 I HN 0.596 nan 8.210 nan 0.000 0.419 462 Q N 0.728 120.481 119.800 -0.078 0.000 2.077 462 Q HA -0.249 4.069 4.340 -0.037 0.000 0.206 462 Q C 2.275 178.245 176.000 -0.051 0.000 0.989 462 Q CA 1.755 57.524 55.803 -0.057 0.000 0.853 462 Q CB 0.103 28.811 28.738 -0.051 0.000 0.907 462 Q HN 0.460 nan 8.270 nan 0.000 0.418 463 Q N 0.316 120.088 119.800 -0.047 0.000 2.014 463 Q HA -0.191 4.127 4.340 -0.037 0.000 0.207 463 Q C 2.357 178.331 176.000 -0.044 0.000 0.993 463 Q CA 1.575 57.353 55.803 -0.041 0.000 0.850 463 Q CB -0.588 28.129 28.738 -0.034 0.000 0.916 463 Q HN 0.466 nan 8.270 nan 0.000 0.417 464 L N 0.298 121.499 121.223 -0.037 0.000 1.990 464 L HA -0.236 4.082 4.340 -0.037 0.000 0.213 464 L C 2.623 179.460 176.870 -0.057 0.000 1.072 464 L CA 1.126 55.946 54.840 -0.034 0.000 0.755 464 L CB -0.707 41.344 42.059 -0.012 0.000 0.889 464 L HN 0.186 nan 8.230 nan 0.000 0.432 465 L N -0.353 120.828 121.223 -0.070 0.000 2.127 465 L HA -0.250 4.068 4.340 -0.037 0.000 0.211 465 L C 2.708 179.486 176.870 -0.154 0.000 1.089 465 L CA 1.474 56.243 54.840 -0.118 0.000 0.757 465 L CB -0.175 41.811 42.059 -0.121 0.000 0.899 465 L HN 0.257 nan 8.230 nan 0.000 0.434 466 K N -0.196 120.131 120.400 -0.123 0.000 2.062 466 K HA -0.110 4.188 4.320 -0.037 0.000 0.205 466 K C 0.624 177.161 176.600 -0.106 0.000 1.051 466 K CA 0.908 57.118 56.287 -0.128 0.000 0.941 466 K CB -0.047 32.402 32.500 -0.085 0.000 0.719 466 K HN 0.351 nan 8.250 nan 0.000 0.440 467 E N 1.630 121.783 120.200 -0.078 0.000 2.346 467 E HA 0.120 4.448 4.350 -0.037 0.000 0.317 467 E C -0.883 175.677 176.600 -0.066 0.000 1.404 467 E CA 0.076 56.439 56.400 -0.061 0.000 1.534 467 E CB -0.112 29.563 29.700 -0.042 0.000 1.309 467 E HN 0.153 nan 8.360 nan 0.000 0.499 468 L N 1.398 122.568 121.223 -0.089 0.000 2.482 468 L HA 0.251 4.569 4.340 -0.037 0.000 0.269 468 L C -0.548 176.268 176.870 -0.090 0.000 0.967 468 L CA -0.689 54.099 54.840 -0.087 0.000 0.851 468 L CB 1.992 43.984 42.059 -0.111 0.000 1.242 468 L HN 0.143 nan 8.230 nan 0.000 0.404 469 D N 4.498 124.861 120.400 -0.062 0.000 2.522 469 D HA 0.189 4.807 4.640 -0.037 0.000 0.218 469 D C 1.322 177.594 176.300 -0.045 0.000 1.149 469 D CA -0.227 53.741 54.000 -0.053 0.000 0.981 469 D CB 0.880 41.659 40.800 -0.035 0.000 1.041 469 D HN 0.510 nan 8.370 nan 0.000 0.518 470 L N 1.691 122.878 121.223 -0.061 0.000 2.085 470 L HA -0.245 4.073 4.340 -0.037 0.000 0.218 470 L C 2.437 179.299 176.870 -0.013 0.000 1.080 470 L CA 1.224 56.039 54.840 -0.041 0.000 0.776 470 L CB -0.375 41.653 42.059 -0.051 0.000 0.891 470 L HN 0.412 nan 8.230 nan 0.000 0.437 471 E N 0.359 120.552 120.200 -0.012 0.000 2.086 471 E HA -0.289 4.039 4.350 -0.037 0.000 0.200 471 E C 2.158 178.760 176.600 0.002 0.000 1.012 471 E CA 1.819 58.219 56.400 -0.000 0.000 0.812 471 E CB -0.079 29.619 29.700 -0.002 0.000 0.743 471 E HN 0.486 nan 8.360 nan 0.000 0.453 472 A N 1.147 123.965 122.820 -0.004 0.000 1.859 472 A HA -0.215 4.083 4.320 -0.037 0.000 0.217 472 A C 2.278 179.864 177.584 0.005 0.000 1.198 472 A CA 1.800 53.837 52.037 -0.000 0.000 0.629 472 A CB -0.915 18.081 19.000 -0.006 0.000 0.830 472 A HN 0.342 nan 8.150 nan 0.000 0.446 473 L N 0.060 121.284 121.223 0.001 0.000 2.362 473 L HA -0.080 4.237 4.340 -0.037 0.000 0.219 473 L C 2.116 178.995 176.870 0.016 0.000 1.134 473 L CA 2.194 57.038 54.840 0.008 0.000 0.807 473 L CB -0.565 41.495 42.059 0.003 0.000 0.927 473 L HN 0.655 nan 8.230 nan 0.000 0.447 474 E N -1.125 119.085 120.200 0.017 0.000 2.076 474 E HA -0.164 4.164 4.350 -0.037 0.000 0.190 474 E C 1.790 178.404 176.600 0.024 0.000 0.979 474 E CA 0.559 56.973 56.400 0.023 0.000 0.807 474 E CB 0.187 29.901 29.700 0.024 0.000 0.761 474 E HN 0.306 nan 8.360 nan 0.000 0.454 475 K N 0.635 121.048 120.400 0.022 0.000 2.062 475 K HA -0.109 4.189 4.320 -0.037 0.000 0.205 475 K C 2.069 178.688 176.600 0.032 0.000 1.051 475 K CA 0.929 57.231 56.287 0.026 0.000 0.941 475 K CB -0.156 32.358 32.500 0.023 0.000 0.719 475 K HN 0.054 nan 8.250 nan 0.000 0.440 476 E N 1.185 121.401 120.200 0.027 0.000 2.058 476 E HA -0.102 4.226 4.350 -0.037 0.000 0.194 476 E C 2.027 178.649 176.600 0.036 0.000 0.997 476 E CA 0.983 57.400 56.400 0.030 0.000 0.801 476 E CB -0.193 29.520 29.700 0.021 0.000 0.746 476 E HN 0.156 nan 8.360 nan 0.000 0.450 477 L N -0.095 121.146 121.223 0.030 0.000 2.093 477 L HA -0.149 4.169 4.340 -0.037 0.000 0.208 477 L C 2.332 179.218 176.870 0.027 0.000 1.085 477 L CA 0.589 55.445 54.840 0.028 0.000 0.755 477 L CB -0.396 41.677 42.059 0.023 0.000 0.904 477 L HN 0.203 nan 8.230 nan 0.000 0.435 478 L N -0.423 120.817 121.223 0.028 0.000 2.013 478 L HA -0.257 4.060 4.340 -0.037 0.000 0.212 478 L C 2.825 179.709 176.870 0.023 0.000 1.073 478 L CA 1.371 56.223 54.840 0.020 0.000 0.753 478 L CB -0.502 41.574 42.059 0.028 0.000 0.890 478 L HN 0.318 nan 8.230 nan 0.000 0.432 479 E N -0.306 119.943 120.200 0.081 0.000 2.028 479 E HA -0.245 4.082 4.350 -0.037 0.000 0.191 479 E C 2.027 178.742 176.600 0.191 0.000 0.988 479 E CA 1.114 57.639 56.400 0.208 0.000 0.799 479 E CB -0.221 29.587 29.700 0.180 0.000 0.755 479 E HN 0.352 nan 8.360 nan 0.000 0.447 480 E N 1.207 121.468 120.200 0.100 0.000 2.130 480 E HA -0.181 4.147 4.350 -0.037 0.000 0.196 480 E C 2.010 178.632 176.600 0.037 0.000 0.998 480 E CA 1.158 57.600 56.400 0.070 0.000 0.806 480 E CB -0.265 29.461 29.700 0.043 0.000 0.738 480 E HN 0.229 nan 8.360 nan 0.000 0.459 481 M N -0.209 119.396 119.600 0.007 0.000 2.062 481 M HA -0.168 4.290 4.480 -0.037 0.000 0.259 481 M C 2.297 178.556 176.300 -0.067 0.000 1.076 481 M CA 1.963 57.250 55.300 -0.023 0.000 1.122 481 M CB -0.164 32.422 32.600 -0.025 0.000 1.312 481 M HN 0.019 nan 8.290 nan 0.000 0.412 482 K N -1.280 119.024 120.400 -0.161 0.000 2.155 482 K HA -0.141 4.157 4.320 -0.037 0.000 0.203 482 K C 1.806 178.232 176.600 -0.290 0.000 1.052 482 K CA 1.132 57.257 56.287 -0.270 0.000 0.948 482 K CB 0.006 32.260 32.500 -0.411 0.000 0.728 482 K HN 0.545 nan 8.250 nan 0.000 0.448 483 H N 0.045 119.116 119.070 0.003 0.000 2.284 483 H HA 0.132 4.666 4.556 -0.037 0.000 0.314 483 H C -1.160 174.169 175.328 0.001 0.000 1.058 483 H CA 0.154 56.203 56.048 0.002 0.000 1.394 483 H CB -1.610 28.153 29.762 0.002 0.000 1.431 483 H HN 0.149 nan 8.280 nan 0.000 0.537 484 P HA -0.049 nan 4.420 nan 0.000 0.272 484 P C 0.430 177.752 177.300 0.037 0.000 1.243 484 P CA 0.233 63.373 63.100 0.067 0.000 0.803 484 P CB 0.485 32.217 31.700 0.052 0.000 0.974 485 S N -0.177 115.538 115.700 0.025 0.000 2.596 485 S HA 0.023 4.470 4.470 -0.037 0.000 0.260 485 S C 1.603 176.207 174.600 0.007 0.000 1.336 485 S CA -0.473 57.734 58.200 0.013 0.000 0.993 485 S CB 0.139 63.344 63.200 0.009 0.000 0.923 485 S HN 0.217 nan 8.310 nan 0.000 0.567 486 R N 1.608 122.108 120.500 0.000 0.000 2.162 486 R HA -0.229 4.088 4.340 -0.037 0.000 0.245 486 R C 2.302 178.601 176.300 -0.003 0.000 1.129 486 R CA 1.868 57.965 56.100 -0.004 0.000 0.940 486 R CB -2.068 28.228 30.300 -0.007 0.000 0.875 486 R HN 0.753 nan 8.270 nan 0.000 0.437 487 A N 2.841 125.660 122.820 -0.001 0.000 2.007 487 A HA -0.286 4.011 4.320 -0.037 0.000 0.214 487 A C 2.221 179.806 177.584 0.002 0.000 1.302 487 A CA 2.695 54.732 52.037 -0.001 0.000 0.770 487 A CB -0.817 18.183 19.000 0.000 0.000 0.831 487 A HN 0.485 nan 8.150 nan 0.000 0.491 488 R N 0.786 121.289 120.500 0.005 0.000 2.139 488 R HA -0.220 4.097 4.340 -0.037 0.000 0.243 488 R C 2.073 178.378 176.300 0.009 0.000 1.145 488 R CA 1.924 58.029 56.100 0.008 0.000 0.976 488 R CB -0.814 29.494 30.300 0.013 0.000 0.866 488 R HN 0.830 nan 8.270 nan 0.000 0.449 489 R N 0.821 121.326 120.500 0.008 0.000 2.148 489 R HA 0.129 4.447 4.340 -0.037 0.000 0.223 489 R C 2.154 178.454 176.300 -0.001 0.000 1.088 489 R CA 1.043 57.146 56.100 0.005 0.000 0.985 489 R CB -0.333 29.967 30.300 0.000 0.000 0.880 489 R HN 0.206 nan 8.270 nan 0.000 0.451 490 A N 2.207 125.026 122.820 -0.002 0.000 1.873 490 A HA -0.150 4.148 4.320 -0.037 0.000 0.215 490 A C 2.193 179.776 177.584 -0.002 0.000 1.186 490 A CA 1.490 53.525 52.037 -0.004 0.000 0.616 490 A CB -0.481 18.515 19.000 -0.007 0.000 0.823 490 A HN 0.416 nan 8.150 nan 0.000 0.442 491 K N -0.172 120.228 120.400 -0.000 0.000 2.063 491 K HA -0.145 4.153 4.320 -0.037 0.000 0.208 491 K C 2.115 178.718 176.600 0.005 0.000 1.048 491 K CA 1.388 57.676 56.287 0.002 0.000 0.928 491 K CB -0.359 32.142 32.500 0.003 0.000 0.713 491 K HN 0.353 nan 8.250 nan 0.000 0.442 492 A N 1.532 124.356 122.820 0.007 0.000 1.940 492 A HA -0.172 4.126 4.320 -0.037 0.000 0.219 492 A C 2.075 179.665 177.584 0.010 0.000 1.176 492 A CA 1.457 53.500 52.037 0.011 0.000 0.631 492 A CB -0.446 18.561 19.000 0.012 0.000 0.814 492 A HN 0.356 nan 8.150 nan 0.000 0.446 493 R N -0.477 120.026 120.500 0.006 0.000 2.075 493 R HA -0.061 4.256 4.340 -0.037 0.000 0.232 493 R C 1.742 178.046 176.300 0.008 0.000 1.126 493 R CA 1.263 57.367 56.100 0.006 0.000 0.963 493 R CB -0.247 30.054 30.300 0.002 0.000 0.858 493 R HN 0.286 nan 8.270 nan 0.000 0.435 494 K N 0.573 120.976 120.400 0.005 0.000 2.362 494 K HA -0.102 4.196 4.320 -0.037 0.000 0.200 494 K C 1.783 178.386 176.600 0.006 0.000 1.046 494 K CA 0.795 57.084 56.287 0.003 0.000 0.952 494 K CB -0.065 32.435 32.500 -0.001 0.000 0.753 494 K HN 0.161 nan 8.250 nan 0.000 0.466 495 R N 0.413 120.920 120.500 0.012 0.000 2.290 495 R HA 0.066 4.383 4.340 -0.037 0.000 0.197 495 R C 1.794 178.110 176.300 0.027 0.000 0.913 495 R CA 0.077 56.189 56.100 0.020 0.000 1.040 495 R CB 0.174 30.485 30.300 0.019 0.000 0.992 495 R HN 0.002 nan 8.270 nan 0.000 0.500 496 L N 0.940 122.176 121.223 0.022 0.000 2.202 496 L HA 0.041 4.358 4.340 -0.037 0.000 0.205 496 L C 1.711 178.597 176.870 0.027 0.000 1.083 496 L CA 1.499 56.355 54.840 0.028 0.000 0.790 496 L CB -0.101 41.972 42.059 0.024 0.000 0.942 496 L HN 0.025 nan 8.230 nan 0.000 0.452 497 E N 0.304 120.513 120.200 0.014 0.000 2.048 497 E HA -0.263 4.065 4.350 -0.037 0.000 0.202 497 E C 2.201 178.786 176.600 -0.025 0.000 1.021 497 E CA 2.317 58.716 56.400 -0.001 0.000 0.825 497 E CB -1.175 28.519 29.700 -0.010 0.000 0.756 497 E HN 0.556 nan 8.360 nan 0.000 0.454 498 V N -0.115 119.780 119.914 -0.032 0.000 2.295 498 V HA -0.187 3.911 4.120 -0.037 0.000 0.246 498 V C 2.626 178.759 176.094 0.065 0.000 1.049 498 V CA 1.720 63.968 62.300 -0.086 0.000 1.024 498 V CB -1.231 30.569 31.823 -0.039 0.000 0.648 498 V HN 0.020 nan 8.190 nan 0.000 0.447 499 V N 0.186 120.187 119.914 0.146 0.000 2.594 499 V HA -0.160 3.937 4.120 -0.037 0.000 0.253 499 V C 2.959 179.136 176.094 0.139 0.000 1.069 499 V CA 2.015 64.430 62.300 0.191 0.000 1.082 499 V CB -1.076 30.806 31.823 0.099 0.000 0.680 499 V HN 0.453 nan 8.190 nan 0.000 0.469 500 R N 0.545 121.088 120.500 0.073 0.000 2.052 500 R HA 0.103 4.421 4.340 -0.037 0.000 0.226 500 R C 2.513 178.836 176.300 0.039 0.000 1.145 500 R CA 1.534 57.664 56.100 0.050 0.000 0.952 500 R CB -1.422 28.896 30.300 0.029 0.000 0.847 500 R HN 0.474 nan 8.270 nan 0.000 0.431 501 A N 1.041 123.847 122.820 -0.023 0.000 1.869 501 A HA -0.218 4.079 4.320 -0.037 0.000 0.218 501 A C 2.277 179.842 177.584 -0.032 0.000 1.203 501 A CA 1.783 53.768 52.037 -0.086 0.000 0.638 501 A CB -1.110 17.751 19.000 -0.232 0.000 0.831 501 A HN 0.268 nan 8.150 nan 0.000 0.450 502 F N -0.373 119.557 119.950 -0.034 0.000 2.027 502 F HA -0.254 4.250 4.527 -0.037 0.000 0.297 502 F C 2.310 178.092 175.800 -0.029 0.000 1.129 502 F CA 1.655 59.630 58.000 -0.042 0.000 1.195 502 F CB -0.503 38.456 39.000 -0.069 0.000 0.960 502 F HN 0.122 nan 8.300 nan 0.000 0.485 503 L N -0.598 120.753 121.223 0.212 0.000 2.189 503 L HA -0.217 4.101 4.340 -0.037 0.000 0.214 503 L C 1.209 178.124 176.870 0.075 0.000 1.097 503 L CA 0.698 55.598 54.840 0.101 0.000 0.764 503 L CB -0.648 41.454 42.059 0.072 0.000 0.900 503 L HN 0.170 nan 8.230 nan 0.000 0.436 504 D N -1.275 119.167 120.400 0.070 0.000 2.249 504 D HA -0.098 4.520 4.640 -0.037 0.000 0.269 504 D C 1.430 177.764 176.300 0.056 0.000 1.220 504 D CA 0.356 54.385 54.000 0.048 0.000 1.016 504 D CB 0.345 41.163 40.800 0.030 0.000 1.133 504 D HN -0.160 nan 8.370 nan 0.000 0.533 505 S N -0.929 114.799 115.700 0.047 0.000 2.423 505 S HA -0.090 4.357 4.470 -0.037 0.000 0.238 505 S C 1.183 175.828 174.600 0.075 0.000 1.028 505 S CA 1.291 59.525 58.200 0.056 0.000 1.000 505 S CB -0.735 62.495 63.200 0.049 0.000 0.797 505 S HN 0.499 nan 8.310 nan 0.000 0.487 506 G N 1.001 109.845 108.800 0.074 0.000 2.760 506 G HA2 0.034 3.972 3.960 -0.037 0.000 0.236 506 G HA3 0.034 3.972 3.960 -0.037 0.000 0.236 506 G C -0.072 174.922 174.900 0.157 0.000 1.243 506 G CA -0.355 44.805 45.100 0.099 0.000 0.850 506 G HN 0.628 nan 8.290 nan 0.000 0.595 507 N N -0.779 118.048 118.700 0.212 0.000 2.347 507 N HA 0.188 4.906 4.740 -0.037 0.000 0.253 507 N C 0.162 175.795 175.510 0.205 0.000 1.274 507 N CA -0.456 52.750 53.050 0.260 0.000 0.941 507 N CB 0.644 39.359 38.487 0.381 0.000 1.200 507 N HN 0.370 nan 8.380 nan 0.000 0.514 508 R N 1.522 122.055 120.500 0.056 0.000 2.267 508 R HA 0.125 4.442 4.340 -0.037 0.000 0.319 508 R C -1.578 174.258 176.300 -0.774 0.000 1.067 508 R CA -1.413 54.492 56.100 -0.324 0.000 0.936 508 R CB 0.691 30.785 30.300 -0.343 0.000 1.006 508 R HN 0.494 nan 8.270 nan 0.000 0.452 509 P HA -0.172 nan 4.420 nan 0.000 0.231 509 P C -0.142 176.744 177.300 -0.689 0.000 1.154 509 P CA 1.100 63.602 63.100 -0.997 0.000 0.762 509 P CB 0.368 30.992 31.700 -1.793 0.000 0.790 510 E N -1.284 118.369 120.200 -0.911 0.000 2.511 510 E HA -0.081 4.246 4.350 -0.037 0.000 0.196 510 E C 1.400 177.905 176.600 -0.158 0.000 1.066 510 E CA 0.735 56.774 56.400 -0.602 0.000 0.871 510 E CB -0.701 28.569 29.700 -0.717 0.000 0.863 510 E HN 0.570 nan 8.360 nan 0.000 0.520 511 W N -0.372 120.936 121.300 0.013 0.000 2.863 511 W HA 0.117 4.754 4.660 -0.037 0.000 0.258 511 W C 1.578 178.186 176.519 0.148 0.000 1.298 511 W CA -0.398 56.983 57.345 0.061 0.000 1.451 511 W CB -0.099 29.411 29.460 0.083 0.000 1.107 511 W HN 0.037 nan 8.180 nan 0.000 0.641 512 M N 0.477 120.317 119.600 0.400 0.000 2.435 512 M HA -0.096 4.362 4.480 -0.037 0.000 0.262 512 M C 0.543 177.035 176.300 0.319 0.000 1.065 512 M CA 1.282 56.892 55.300 0.517 0.000 1.076 512 M CB -0.620 32.301 32.600 0.535 0.000 1.403 512 M HN -0.092 nan 8.290 nan 0.000 0.454 513 I N 0.817 121.511 120.570 0.207 0.000 2.519 513 I HA 0.113 4.261 4.170 -0.037 0.000 0.287 513 I C -0.332 175.833 176.117 0.080 0.000 1.047 513 I CA -0.067 61.295 61.300 0.104 0.000 1.381 513 I CB 0.746 38.781 38.000 0.059 0.000 1.417 513 I HN 0.054 nan 8.210 nan 0.000 0.540 514 L N 6.432 127.663 121.223 0.013 0.000 2.343 514 L HA 0.352 4.670 4.340 -0.037 0.000 0.278 514 L C 0.514 177.358 176.870 -0.044 0.000 0.996 514 L CA -0.074 54.748 54.840 -0.030 0.000 0.831 514 L CB 1.287 43.303 42.059 -0.071 0.000 1.232 514 L HN 0.727 nan 8.230 nan 0.000 0.413 515 E N 2.063 122.237 120.200 -0.045 0.000 2.606 515 E HA 0.360 4.688 4.350 -0.037 0.000 0.224 515 E C 0.066 176.641 176.600 -0.042 0.000 0.930 515 E CA -0.249 56.126 56.400 -0.043 0.000 1.125 515 E CB 1.240 30.918 29.700 -0.036 0.000 1.123 515 E HN 0.430 nan 8.360 nan 0.000 0.522 516 A N 1.539 124.323 122.820 -0.060 0.000 2.605 516 A HA 0.479 4.776 4.320 -0.037 0.000 0.293 516 A C -0.709 176.844 177.584 -0.051 0.000 1.216 516 A CA -0.570 51.437 52.037 -0.050 0.000 0.742 516 A CB 1.198 20.126 19.000 -0.120 0.000 1.170 516 A HN 0.067 nan 8.150 nan 0.000 0.443 517 V N 4.726 124.642 119.914 0.003 0.000 2.408 517 V HA 0.241 4.338 4.120 -0.037 0.000 0.267 517 V C -2.071 174.083 176.094 0.100 0.000 1.047 517 V CA -1.195 61.118 62.300 0.022 0.000 0.937 517 V CB 0.941 32.794 31.823 0.048 0.000 0.999 517 V HN 0.712 nan 8.190 nan 0.000 0.472 518 P HA 0.186 nan 4.420 nan 0.000 0.272 518 P C -0.838 176.624 177.300 0.271 0.000 1.223 518 P CA -0.097 63.141 63.100 0.230 0.000 0.784 518 P CB 0.609 32.527 31.700 0.362 0.000 0.923 519 V N 3.274 123.360 119.914 0.287 0.000 2.378 519 V HA 0.215 4.313 4.120 -0.037 0.000 0.288 519 V C 0.247 176.511 176.094 0.283 0.000 1.016 519 V CA -0.942 61.506 62.300 0.247 0.000 0.840 519 V CB 1.169 33.047 31.823 0.092 0.000 0.994 519 V HN 0.420 nan 8.190 nan 0.000 0.431 520 L N 8.349 129.748 121.223 0.294 0.000 2.514 520 L HA 0.328 4.646 4.340 -0.037 0.000 0.280 520 L C -2.140 174.770 176.870 0.067 0.000 1.223 520 L CA -0.339 54.622 54.840 0.202 0.000 0.864 520 L CB 0.140 42.331 42.059 0.219 0.000 1.118 520 L HN 0.419 nan 8.230 nan 0.000 0.494 521 P HA -0.089 nan 4.420 nan 0.000 0.269 521 P C -2.258 174.880 177.300 -0.270 0.000 1.185 521 P CA -0.287 62.767 63.100 -0.078 0.000 0.769 521 P CB 0.057 31.763 31.700 0.009 0.000 0.809 522 P HA -0.096 nan 4.420 nan 0.000 0.213 522 P C 0.638 177.846 177.300 -0.154 0.000 1.176 522 P CA 1.347 64.268 63.100 -0.298 0.000 0.894 522 P CB -0.122 31.357 31.700 -0.368 0.000 0.771 523 D N -0.525 119.763 120.400 -0.187 0.000 2.271 523 D HA -0.130 4.487 4.640 -0.037 0.000 0.207 523 D C 1.636 177.866 176.300 -0.116 0.000 0.983 523 D CA 0.935 54.833 54.000 -0.169 0.000 0.878 523 D CB -0.828 39.858 40.800 -0.190 0.000 0.920 523 D HN 0.176 nan 8.370 nan 0.000 0.479 524 L N -0.091 121.080 121.223 -0.088 0.000 2.492 524 L HA 0.108 4.426 4.340 -0.037 0.000 0.223 524 L C 1.000 177.872 176.870 0.004 0.000 1.132 524 L CA 0.323 55.142 54.840 -0.036 0.000 0.850 524 L CB -0.063 41.990 42.059 -0.011 0.000 0.966 524 L HN 0.073 nan 8.230 nan 0.000 0.454 525 R N -1.017 119.493 120.500 0.017 0.000 2.881 525 R HA 0.365 4.683 4.340 -0.037 0.000 0.331 525 R C -2.761 173.599 176.300 0.100 0.000 1.207 525 R CA -1.632 54.520 56.100 0.085 0.000 1.265 525 R CB -0.420 29.963 30.300 0.139 0.000 1.351 525 R HN -0.085 nan 8.270 nan 0.000 0.613 526 P HA -0.136 nan 4.420 nan 0.000 0.269 526 P C -0.606 176.676 177.300 -0.030 0.000 1.200 526 P CA 0.162 63.212 63.100 -0.082 0.000 0.779 526 P CB 0.414 32.075 31.700 -0.066 0.000 0.841 527 M N 3.090 122.598 119.600 -0.152 0.000 1.980 527 M HA 0.289 4.747 4.480 -0.037 0.000 0.282 527 M C -1.660 174.644 176.300 0.008 0.000 0.878 527 M CA -0.466 54.812 55.300 -0.037 0.000 0.900 527 M CB 0.393 32.868 32.600 -0.208 0.000 1.577 527 M HN -0.042 nan 8.290 nan 0.000 0.396 528 V N 1.799 121.748 119.914 0.058 0.000 2.881 528 V HA 0.598 4.695 4.120 -0.037 0.000 0.316 528 V C -0.016 176.022 176.094 -0.094 0.000 1.070 528 V CA -1.013 61.279 62.300 -0.013 0.000 0.976 528 V CB 1.892 33.688 31.823 -0.045 0.000 1.038 528 V HN 0.524 nan 8.190 nan 0.000 0.446 529 Q N 1.021 120.684 119.800 -0.230 0.000 2.279 529 Q HA 0.443 4.760 4.340 -0.037 0.000 0.256 529 Q C 0.095 175.934 176.000 -0.268 0.000 0.937 529 Q CA 0.011 55.549 55.803 -0.442 0.000 0.933 529 Q CB 1.945 30.459 28.738 -0.373 0.000 1.189 529 Q HN 0.693 nan 8.270 nan 0.000 0.417 530 V N 1.282 121.032 119.914 -0.274 0.000 3.608 530 V HA 0.194 4.291 4.120 -0.037 0.000 0.203 530 V C -0.062 175.953 176.094 -0.131 0.000 1.154 530 V CA 0.351 62.561 62.300 -0.149 0.000 1.386 530 V CB 0.272 32.037 31.823 -0.097 0.000 1.486 530 V HN 0.594 nan 8.190 nan 0.000 0.491 531 D N -0.175 120.157 120.400 -0.113 0.000 2.471 531 D HA 0.513 5.131 4.640 -0.037 0.000 0.245 531 D C 0.594 176.842 176.300 -0.085 0.000 1.116 531 D CA 0.921 54.871 54.000 -0.084 0.000 0.853 531 D CB 1.325 42.095 40.800 -0.051 0.000 1.123 531 D HN 0.586 nan 8.370 nan 0.000 0.540 532 G N 3.182 111.929 108.800 -0.088 0.000 2.675 532 G HA2 -0.331 3.606 3.960 -0.037 0.000 0.312 532 G HA3 -0.331 3.606 3.960 -0.037 0.000 0.312 532 G C 0.943 175.786 174.900 -0.095 0.000 1.186 532 G CA 0.312 45.370 45.100 -0.071 0.000 0.965 532 G HN 0.677 nan 8.290 nan 0.000 0.548 533 G N 0.599 109.372 108.800 -0.045 0.000 3.126 533 G HA2 0.426 4.364 3.960 -0.037 0.000 0.224 533 G HA3 0.426 4.364 3.960 -0.037 0.000 0.224 533 G C 0.711 175.652 174.900 0.068 0.000 1.142 533 G CA 0.472 45.584 45.100 0.020 0.000 0.759 533 G HN 0.680 nan 8.290 nan 0.000 0.550 534 R N 0.469 120.953 120.500 -0.027 0.000 2.316 534 R HA 0.372 4.689 4.340 -0.037 0.000 0.314 534 R C -1.042 175.224 176.300 -0.058 0.000 1.069 534 R CA -0.118 55.999 56.100 0.029 0.000 0.959 534 R CB 0.524 30.823 30.300 -0.001 0.000 0.987 534 R HN 0.093 nan 8.270 nan 0.000 0.446 535 F N 0.917 120.874 119.950 0.011 0.000 2.483 535 F HA 0.594 5.099 4.527 -0.037 0.000 0.329 535 F C 0.364 176.175 175.800 0.018 0.000 1.064 535 F CA -0.724 57.285 58.000 0.016 0.000 0.986 535 F CB 1.837 40.855 39.000 0.031 0.000 1.218 535 F HN 0.471 nan 8.300 nan 0.000 0.484 536 A N 1.420 124.362 122.820 0.204 0.000 2.381 536 A HA 0.672 4.970 4.320 -0.037 0.000 0.299 536 A C -0.799 176.859 177.584 0.122 0.000 1.049 536 A CA -0.495 51.618 52.037 0.126 0.000 0.715 536 A CB 1.588 20.625 19.000 0.062 0.000 1.222 536 A HN 0.659 nan 8.150 nan 0.000 0.428 537 T N 0.567 115.191 114.554 0.117 0.000 2.883 537 T HA 0.634 4.962 4.350 -0.037 0.000 0.296 537 T C 0.183 174.940 174.700 0.094 0.000 1.117 537 T CA 0.204 62.375 62.100 0.118 0.000 1.006 537 T CB 1.166 70.129 68.868 0.159 0.000 1.191 537 T HN 1.452 nan 8.240 nan 0.000 0.508 538 S N 2.446 118.205 115.700 0.097 0.000 2.549 538 S HA 0.114 4.562 4.470 -0.037 0.000 0.286 538 S C 0.605 175.252 174.600 0.078 0.000 1.314 538 S CA -0.356 57.892 58.200 0.080 0.000 1.062 538 S CB 0.513 63.764 63.200 0.085 0.000 0.865 538 S HN 0.689 nan 8.310 nan 0.000 0.498 539 D N 1.902 122.336 120.400 0.056 0.000 2.271 539 D HA -0.089 4.529 4.640 -0.037 0.000 0.207 539 D C 1.635 177.955 176.300 0.034 0.000 0.983 539 D CA 0.804 54.830 54.000 0.043 0.000 0.878 539 D CB -0.367 40.452 40.800 0.031 0.000 0.920 539 D HN 0.577 nan 8.370 nan 0.000 0.479 540 L N 0.617 121.862 121.223 0.037 0.000 2.043 540 L HA -0.212 4.105 4.340 -0.037 0.000 0.212 540 L C 2.181 179.090 176.870 0.065 0.000 1.075 540 L CA 1.017 55.859 54.840 0.003 0.000 0.752 540 L CB -0.465 41.619 42.059 0.043 0.000 0.891 540 L HN 0.097 nan 8.230 nan 0.000 0.432 541 N N 0.092 118.882 118.700 0.150 0.000 2.094 541 N HA -0.209 4.508 4.740 -0.037 0.000 0.191 541 N C 1.403 176.977 175.510 0.106 0.000 1.023 541 N CA 1.800 54.951 53.050 0.169 0.000 0.857 541 N CB -0.296 38.258 38.487 0.112 0.000 1.013 541 N HN 0.371 nan 8.380 nan 0.000 0.426 542 D N 1.051 121.488 120.400 0.062 0.000 2.097 542 D HA -0.073 4.545 4.640 -0.037 0.000 0.195 542 D C 2.232 178.549 176.300 0.029 0.000 0.989 542 D CA 0.558 54.581 54.000 0.038 0.000 0.827 542 D CB -0.403 40.414 40.800 0.028 0.000 0.966 542 D HN 0.211 nan 8.370 nan 0.000 0.456 543 L N -0.447 120.773 121.223 -0.005 0.000 2.043 543 L HA -0.237 4.081 4.340 -0.037 0.000 0.212 543 L C 2.338 179.188 176.870 -0.033 0.000 1.075 543 L CA 1.115 55.922 54.840 -0.054 0.000 0.752 543 L CB -0.631 41.341 42.059 -0.145 0.000 0.891 543 L HN 0.087 nan 8.230 nan 0.000 0.432 544 Y N 0.563 120.847 120.300 -0.027 0.000 2.128 544 Y HA -0.232 4.296 4.550 -0.037 0.000 0.284 544 Y C 2.855 178.727 175.900 -0.047 0.000 1.154 544 Y CA 1.360 59.436 58.100 -0.041 0.000 1.149 544 Y CB -0.436 37.987 38.460 -0.062 0.000 0.976 544 Y HN 0.036 nan 8.280 nan 0.000 0.505 545 R N -0.466 120.109 120.500 0.125 0.000 2.096 545 R HA -0.160 4.158 4.340 -0.037 0.000 0.235 545 R C 2.291 178.613 176.300 0.037 0.000 1.127 545 R CA 1.144 57.271 56.100 0.045 0.000 0.968 545 R CB -0.160 30.149 30.300 0.014 0.000 0.861 545 R HN 0.191 nan 8.270 nan 0.000 0.440 546 R N 0.838 121.359 120.500 0.035 0.000 2.094 546 R HA -0.180 4.138 4.340 -0.037 0.000 0.239 546 R C 2.244 178.559 176.300 0.025 0.000 1.137 546 R CA 1.249 57.363 56.100 0.022 0.000 0.943 546 R CB -1.232 29.077 30.300 0.014 0.000 0.850 546 R HN 0.195 nan 8.270 nan 0.000 0.433 547 L N 1.150 122.394 121.223 0.035 0.000 1.961 547 L HA -0.125 4.193 4.340 -0.037 0.000 0.210 547 L C 2.304 179.194 176.870 0.033 0.000 1.072 547 L CA 1.647 56.508 54.840 0.036 0.000 0.749 547 L CB -0.790 41.302 42.059 0.057 0.000 0.889 547 L HN 0.055 nan 8.230 nan 0.000 0.432 548 I N 0.083 120.680 120.570 0.045 0.000 2.113 548 I HA -0.406 3.742 4.170 -0.037 0.000 0.242 548 I C 2.293 178.410 176.117 -0.000 0.000 1.057 548 I CA 2.103 63.411 61.300 0.014 0.000 1.314 548 I CB -1.561 36.439 38.000 -0.001 0.000 1.022 548 I HN 0.458 nan 8.210 nan 0.000 0.408 549 N N 0.228 118.929 118.700 0.002 0.000 2.025 549 N HA -0.179 4.538 4.740 -0.037 0.000 0.194 549 N C 1.909 177.419 175.510 -0.001 0.000 1.044 549 N CA 1.311 54.359 53.050 -0.002 0.000 0.851 549 N CB -0.081 38.406 38.487 0.001 0.000 1.036 549 N HN 0.225 nan 8.380 nan 0.000 0.422 550 R N 0.740 121.242 120.500 0.005 0.000 2.112 550 R HA -0.185 4.132 4.340 -0.037 0.000 0.242 550 R C 1.908 178.207 176.300 -0.001 0.000 1.137 550 R CA 1.480 57.583 56.100 0.004 0.000 0.944 550 R CB -1.467 28.839 30.300 0.010 0.000 0.857 550 R HN 0.406 nan 8.270 nan 0.000 0.435 551 N N 0.844 119.542 118.700 -0.003 0.000 2.149 551 N HA -0.159 4.558 4.740 -0.037 0.000 0.188 551 N C 1.534 177.036 175.510 -0.013 0.000 1.019 551 N CA 1.484 54.529 53.050 -0.009 0.000 0.857 551 N CB -0.116 38.366 38.487 -0.009 0.000 0.997 551 N HN 0.184 nan 8.380 nan 0.000 0.426 552 N N 0.336 119.029 118.700 -0.013 0.000 2.135 552 N HA -0.127 4.591 4.740 -0.037 0.000 0.186 552 N C 1.649 177.151 175.510 -0.013 0.000 1.027 552 N CA 0.632 53.672 53.050 -0.017 0.000 0.849 552 N CB -0.390 38.086 38.487 -0.019 0.000 1.002 552 N HN 0.359 nan 8.380 nan 0.000 0.425 553 R N 0.917 121.412 120.500 -0.009 0.000 2.105 553 R HA -0.110 4.208 4.340 -0.037 0.000 0.239 553 R C 2.026 178.321 176.300 -0.008 0.000 1.135 553 R CA 0.780 56.876 56.100 -0.007 0.000 0.967 553 R CB -0.319 29.980 30.300 -0.003 0.000 0.861 553 R HN 0.134 nan 8.270 nan 0.000 0.442 554 L N 1.698 122.916 121.223 -0.009 0.000 1.956 554 L HA -0.233 4.085 4.340 -0.037 0.000 0.216 554 L C 1.859 178.721 176.870 -0.013 0.000 1.073 554 L CA 2.083 56.916 54.840 -0.011 0.000 0.762 554 L CB -0.992 41.059 42.059 -0.013 0.000 0.889 554 L HN 0.187 nan 8.230 nan 0.000 0.433 555 K N -0.227 120.164 120.400 -0.015 0.000 2.059 555 K HA -0.249 4.049 4.320 -0.037 0.000 0.212 555 K C 1.995 178.586 176.600 -0.015 0.000 1.050 555 K CA 2.199 58.476 56.287 -0.016 0.000 0.927 555 K CB -0.168 32.320 32.500 -0.018 0.000 0.714 555 K HN 0.371 nan 8.250 nan 0.000 0.447 556 K N 0.808 121.200 120.400 -0.013 0.000 2.026 556 K HA -0.118 4.180 4.320 -0.037 0.000 0.208 556 K C 2.117 178.711 176.600 -0.010 0.000 1.048 556 K CA 1.237 57.517 56.287 -0.012 0.000 0.929 556 K CB -0.217 32.276 32.500 -0.011 0.000 0.713 556 K HN 0.065 nan 8.250 nan 0.000 0.439 557 L N 0.876 122.093 121.223 -0.009 0.000 2.191 557 L HA -0.185 4.133 4.340 -0.037 0.000 0.212 557 L C 2.183 179.047 176.870 -0.009 0.000 1.103 557 L CA 0.954 55.789 54.840 -0.008 0.000 0.769 557 L CB -0.222 41.833 42.059 -0.006 0.000 0.908 557 L HN 0.209 nan 8.230 nan 0.000 0.438 558 L N -1.416 119.800 121.223 -0.012 0.000 2.127 558 L HA -0.053 4.265 4.340 -0.037 0.000 0.203 558 L C 2.785 179.647 176.870 -0.013 0.000 1.080 558 L CA 0.830 55.662 54.840 -0.013 0.000 0.768 558 L CB -0.565 41.485 42.059 -0.015 0.000 0.924 558 L HN 0.177 nan 8.230 nan 0.000 0.444 559 A N -0.177 122.635 122.820 -0.013 0.000 1.855 559 A HA -0.272 4.025 4.320 -0.037 0.000 0.215 559 A C 2.124 179.701 177.584 -0.012 0.000 1.191 559 A CA 1.602 53.631 52.037 -0.013 0.000 0.613 559 A CB -0.639 18.353 19.000 -0.013 0.000 0.829 559 A HN 0.369 nan 8.150 nan 0.000 0.442 560 Q N -0.359 119.434 119.800 -0.010 0.000 2.576 560 Q HA 0.228 4.545 4.340 -0.037 0.000 0.218 560 Q C 0.635 176.630 176.000 -0.008 0.000 0.983 560 Q CA 0.984 56.781 55.803 -0.009 0.000 0.920 560 Q CB -0.797 27.936 28.738 -0.008 0.000 0.973 560 Q HN 1.196 nan 8.270 nan 0.000 0.528 561 G N -2.261 106.533 108.800 -0.009 0.000 2.497 561 G HA2 0.336 4.274 3.960 -0.037 0.000 0.686 561 G HA3 0.336 4.274 3.960 -0.037 0.000 0.686 561 G C -1.321 173.574 174.900 -0.008 0.000 1.288 561 G CA -0.502 44.593 45.100 -0.009 0.000 0.899 561 G HN 0.792 nan 8.290 nan 0.000 0.608 562 A N 1.137 123.952 122.820 -0.008 0.000 2.667 562 A HA 0.768 5.066 4.320 -0.037 0.000 0.291 562 A C -2.490 175.092 177.584 -0.003 0.000 1.123 562 A CA -0.574 51.460 52.037 -0.006 0.000 0.832 562 A CB 1.435 20.430 19.000 -0.008 0.000 1.396 562 A HN 0.956 nan 8.150 nan 0.000 0.401 563 P HA 0.187 nan 4.420 nan 0.000 0.276 563 P C 0.679 177.982 177.300 0.005 0.000 1.253 563 P CA 0.068 63.170 63.100 0.002 0.000 0.766 563 P CB 1.202 32.903 31.700 0.001 0.000 0.845 564 E N 2.217 122.423 120.200 0.010 0.000 2.119 564 E HA -0.243 4.085 4.350 -0.037 0.000 0.221 564 E C 1.812 178.417 176.600 0.009 0.000 1.062 564 E CA 1.639 58.047 56.400 0.014 0.000 0.894 564 E CB -0.725 28.993 29.700 0.031 0.000 0.785 564 E HN 0.468 nan 8.360 nan 0.000 0.472 565 I N 1.024 121.600 120.570 0.010 0.000 2.091 565 I HA -0.323 3.824 4.170 -0.037 0.000 0.240 565 I C 2.562 178.684 176.117 0.009 0.000 1.046 565 I CA 1.558 62.863 61.300 0.009 0.000 1.306 565 I CB -0.548 37.457 38.000 0.009 0.000 1.018 565 I HN 0.116 nan 8.210 nan 0.000 0.404 566 I N -0.249 120.326 120.570 0.007 0.000 2.286 566 I HA -0.281 3.867 4.170 -0.037 0.000 0.248 566 I C 2.412 178.532 176.117 0.005 0.000 1.115 566 I CA 1.429 62.733 61.300 0.007 0.000 1.392 566 I CB -0.442 37.560 38.000 0.004 0.000 1.065 566 I HN 0.216 nan 8.210 nan 0.000 0.418 567 I N 0.425 120.996 120.570 0.001 0.000 2.142 567 I HA -0.289 3.859 4.170 -0.037 0.000 0.240 567 I C 2.808 178.922 176.117 -0.004 0.000 1.078 567 I CA 1.233 62.531 61.300 -0.003 0.000 1.343 567 I CB -0.439 37.556 38.000 -0.007 0.000 1.046 567 I HN 0.151 nan 8.210 nan 0.000 0.405 568 R N 1.678 122.176 120.500 -0.004 0.000 2.080 568 R HA -0.212 4.106 4.340 -0.037 0.000 0.236 568 R C 1.967 178.274 176.300 0.013 0.000 1.137 568 R CA 2.172 58.269 56.100 -0.004 0.000 0.943 568 R CB -1.081 29.211 30.300 -0.013 0.000 0.846 568 R HN 0.401 nan 8.270 nan 0.000 0.431 569 N N -0.735 117.976 118.700 0.019 0.000 2.132 569 N HA -0.271 4.447 4.740 -0.037 0.000 0.191 569 N C 1.515 177.044 175.510 0.031 0.000 1.015 569 N CA 1.591 54.660 53.050 0.032 0.000 0.864 569 N CB -0.081 38.422 38.487 0.027 0.000 1.006 569 N HN 0.328 nan 8.380 nan 0.000 0.430 570 E N 1.014 121.225 120.200 0.019 0.000 2.033 570 E HA -0.075 4.252 4.350 -0.037 0.000 0.189 570 E C 1.661 178.269 176.600 0.014 0.000 0.979 570 E CA 1.254 57.664 56.400 0.016 0.000 0.802 570 E CB 0.024 29.728 29.700 0.007 0.000 0.763 570 E HN 0.209 nan 8.360 nan 0.000 0.449 571 K N 0.351 120.752 120.400 0.002 0.000 2.173 571 K HA -0.239 4.059 4.320 -0.037 0.000 0.207 571 K C 2.327 178.925 176.600 -0.003 0.000 1.046 571 K CA 1.444 57.723 56.287 -0.013 0.000 0.929 571 K CB -0.215 32.269 32.500 -0.026 0.000 0.720 571 K HN 0.083 nan 8.250 nan 0.000 0.453 572 R N 1.095 121.613 120.500 0.030 0.000 2.075 572 R HA -0.112 4.206 4.340 -0.037 0.000 0.230 572 R C 2.329 178.686 176.300 0.094 0.000 1.140 572 R CA 1.735 57.882 56.100 0.079 0.000 0.928 572 R CB -0.210 30.153 30.300 0.106 0.000 0.834 572 R HN 0.091 nan 8.270 nan 0.000 0.429 573 M N 0.544 120.189 119.600 0.075 0.000 2.089 573 M HA -0.237 4.220 4.480 -0.037 0.000 0.257 573 M C 2.364 178.698 176.300 0.056 0.000 1.071 573 M CA 1.606 56.948 55.300 0.069 0.000 1.096 573 M CB -0.412 32.216 32.600 0.047 0.000 1.330 573 M HN 0.259 nan 8.290 nan 0.000 0.403 574 L N 0.153 121.394 121.223 0.030 0.000 2.042 574 L HA -0.266 4.051 4.340 -0.037 0.000 0.210 574 L C 2.483 179.356 176.870 0.006 0.000 1.076 574 L CA 1.922 56.768 54.840 0.011 0.000 0.749 574 L CB -0.585 41.469 42.059 -0.008 0.000 0.893 574 L HN 0.267 nan 8.230 nan 0.000 0.432 575 Q N -0.077 119.718 119.800 -0.008 0.000 2.002 575 Q HA -0.267 4.051 4.340 -0.037 0.000 0.204 575 Q C 2.258 178.300 176.000 0.069 0.000 0.988 575 Q CA 2.186 57.956 55.803 -0.057 0.000 0.843 575 Q CB -0.614 28.006 28.738 -0.197 0.000 0.908 575 Q HN 0.571 nan 8.270 nan 0.000 0.420 576 E N -0.252 120.064 120.200 0.193 0.000 2.097 576 E HA -0.233 4.095 4.350 -0.037 0.000 0.196 576 E C 1.687 178.370 176.600 0.139 0.000 1.000 576 E CA 1.496 58.050 56.400 0.257 0.000 0.804 576 E CB -0.295 29.530 29.700 0.209 0.000 0.740 576 E HN 0.388 nan 8.360 nan 0.000 0.454 577 A N 0.652 123.520 122.820 0.081 0.000 1.883 577 A HA -0.151 4.147 4.320 -0.037 0.000 0.217 577 A C 2.599 180.196 177.584 0.022 0.000 1.186 577 A CA 1.857 53.919 52.037 0.041 0.000 0.624 577 A CB -0.804 18.212 19.000 0.026 0.000 0.822 577 A HN 0.202 nan 8.150 nan 0.000 0.444 578 V N 0.855 120.781 119.914 0.020 0.000 2.490 578 V HA -0.242 3.855 4.120 -0.037 0.000 0.250 578 V C 1.993 178.098 176.094 0.018 0.000 1.061 578 V CA 2.109 64.406 62.300 -0.005 0.000 1.064 578 V CB -0.862 30.949 31.823 -0.021 0.000 0.670 578 V HN 0.520 nan 8.190 nan 0.000 0.461 579 D N 0.633 121.085 120.400 0.085 0.000 2.117 579 D HA -0.104 4.514 4.640 -0.037 0.000 0.198 579 D C 2.301 178.645 176.300 0.073 0.000 0.982 579 D CA 1.546 55.625 54.000 0.133 0.000 0.828 579 D CB -0.246 40.696 40.800 0.238 0.000 0.967 579 D HN 0.439 nan 8.370 nan 0.000 0.464 580 A N 2.056 124.904 122.820 0.047 0.000 1.852 580 A HA -0.234 4.064 4.320 -0.037 0.000 0.217 580 A C 2.459 180.018 177.584 -0.042 0.000 1.215 580 A CA 2.411 54.453 52.037 0.009 0.000 0.641 580 A CB -1.265 17.734 19.000 -0.002 0.000 0.838 580 A HN 0.383 nan 8.150 nan 0.000 0.450 581 L N -2.142 119.015 121.223 -0.110 0.000 2.131 581 L HA -0.062 4.255 4.340 -0.037 0.000 0.210 581 L C 2.358 179.132 176.870 -0.160 0.000 1.092 581 L CA 1.544 56.262 54.840 -0.204 0.000 0.759 581 L CB -0.625 41.196 42.059 -0.397 0.000 0.903 581 L HN 0.339 nan 8.230 nan 0.000 0.435 582 L N -0.505 120.648 121.223 -0.117 0.000 1.976 582 L HA 0.012 4.330 4.340 -0.037 0.000 0.209 582 L C 0.221 177.070 176.870 -0.035 0.000 1.071 582 L CA 1.281 56.053 54.840 -0.114 0.000 0.746 582 L CB -0.170 41.861 42.059 -0.047 0.000 0.890 582 L HN 0.362 nan 8.230 nan 0.000 0.432 583 D N -0.954 119.478 120.400 0.053 0.000 2.333 583 D HA 0.167 4.785 4.640 -0.037 0.000 0.225 583 D C -1.234 175.127 176.300 0.102 0.000 1.345 583 D CA -0.277 53.792 54.000 0.116 0.000 0.971 583 D CB 0.941 41.884 40.800 0.239 0.000 1.451 583 D HN -0.032 nan 8.370 nan 0.000 0.561 584 N N -0.202 118.539 118.700 0.069 0.000 2.483 584 N HA 0.436 5.154 4.740 -0.037 0.000 0.269 584 N C 1.445 176.990 175.510 0.059 0.000 1.209 584 N CA 0.983 54.067 53.050 0.055 0.000 0.969 584 N CB 1.539 40.047 38.487 0.035 0.000 1.173 584 N HN 0.687 nan 8.380 nan 0.000 0.475 585 G N 0.729 109.555 108.800 0.044 0.000 2.225 585 G HA2 -0.286 3.652 3.960 -0.037 0.000 0.254 585 G HA3 -0.286 3.652 3.960 -0.037 0.000 0.254 585 G C 1.011 175.929 174.900 0.031 0.000 0.988 585 G CA -0.070 45.051 45.100 0.035 0.000 0.625 585 G HN 0.562 nan 8.290 nan 0.000 0.527 586 R N -0.228 120.300 120.500 0.046 0.000 2.299 586 R HA 0.250 4.568 4.340 -0.037 0.000 0.197 586 R C 2.165 178.461 176.300 -0.006 0.000 0.971 586 R CA 1.101 57.224 56.100 0.038 0.000 1.030 586 R CB 0.135 30.486 30.300 0.086 0.000 0.932 586 R HN 0.468 nan 8.270 nan 0.000 0.477 587 R N -1.026 119.458 120.500 -0.026 0.000 2.580 587 R HA 0.137 4.455 4.340 -0.037 0.000 0.285 587 R C -0.278 175.975 176.300 -0.078 0.000 0.947 587 R CA 0.487 56.526 56.100 -0.102 0.000 1.102 587 R CB 1.489 31.673 30.300 -0.193 0.000 1.696 587 R HN 0.191 nan 8.270 nan 0.000 0.506 588 G N -0.455 108.327 108.800 -0.030 0.000 2.316 588 G HA2 0.462 4.399 3.960 -0.037 0.000 0.296 588 G HA3 0.462 4.399 3.960 -0.037 0.000 0.296 588 G C -1.937 172.966 174.900 0.004 0.000 1.399 588 G CA -0.288 44.803 45.100 -0.016 0.000 0.833 588 G HN 0.163 nan 8.290 nan 0.000 0.565 589 A N 0.866 123.691 122.820 0.008 0.000 2.293 589 A HA 0.835 5.133 4.320 -0.037 0.000 0.312 589 A C -2.479 175.115 177.584 0.017 0.000 1.309 589 A CA -1.280 50.767 52.037 0.016 0.000 0.839 589 A CB 0.789 19.799 19.000 0.016 0.000 1.155 589 A HN 0.415 nan 8.150 nan 0.000 0.501 590 P HA 0.482 nan 4.420 nan 0.000 0.275 590 P C -0.743 176.568 177.300 0.017 0.000 1.227 590 P CA -0.165 62.946 63.100 0.019 0.000 0.781 590 P CB 1.337 33.048 31.700 0.018 0.000 0.906 591 V N 1.736 121.660 119.914 0.017 0.000 2.876 591 V HA 0.323 4.420 4.120 -0.037 0.000 0.312 591 V C 0.154 176.259 176.094 0.018 0.000 1.085 591 V CA -0.673 61.637 62.300 0.018 0.000 0.945 591 V CB 2.214 34.047 31.823 0.017 0.000 1.017 591 V HN 0.499 nan 8.190 nan 0.000 0.428 592 T N 3.160 117.726 114.554 0.019 0.000 2.926 592 T HA 0.097 4.424 4.350 -0.037 0.000 0.307 592 T C 0.474 175.185 174.700 0.019 0.000 1.059 592 T CA -0.168 61.945 62.100 0.021 0.000 1.122 592 T CB -0.054 68.828 68.868 0.024 0.000 0.972 592 T HN 0.665 nan 8.240 nan 0.000 0.545 593 N N 2.952 121.663 118.700 0.018 0.000 2.237 593 N HA -0.015 4.703 4.740 -0.037 0.000 0.245 593 N C -2.348 173.172 175.510 0.017 0.000 1.239 593 N CA -0.648 52.412 53.050 0.017 0.000 0.842 593 N CB -0.234 38.263 38.487 0.016 0.000 1.089 593 N HN 0.391 nan 8.380 nan 0.000 0.454 594 P HA -0.140 nan 4.420 nan 0.000 0.255 594 P C 0.732 178.041 177.300 0.016 0.000 1.123 594 P CA 1.148 64.256 63.100 0.015 0.000 0.766 594 P CB -0.125 31.582 31.700 0.013 0.000 0.705 595 G N 1.517 110.327 108.800 0.016 0.000 3.611 595 G HA2 -0.031 3.907 3.960 -0.037 0.000 0.217 595 G HA3 -0.031 3.907 3.960 -0.037 0.000 0.217 595 G C -0.218 174.693 174.900 0.018 0.000 1.023 595 G CA 0.265 45.375 45.100 0.017 0.000 0.887 595 G HN 0.860 nan 8.290 nan 0.000 0.420 596 S N 0.912 116.623 115.700 0.019 0.000 2.673 596 S HA 0.479 4.926 4.470 -0.037 0.000 0.256 596 S C -1.167 173.445 174.600 0.020 0.000 1.141 596 S CA -0.468 57.744 58.200 0.020 0.000 1.109 596 S CB 1.599 64.812 63.200 0.022 0.000 1.101 596 S HN 0.047 nan 8.310 nan 0.000 0.471 597 D N 2.756 123.167 120.400 0.019 0.000 2.977 597 D HA 0.039 4.657 4.640 -0.037 0.000 0.241 597 D C 0.523 176.835 176.300 0.020 0.000 1.206 597 D CA 0.147 54.158 54.000 0.018 0.000 0.902 597 D CB 0.050 40.860 40.800 0.017 0.000 1.131 597 D HN 0.552 nan 8.370 nan 0.000 0.447 598 R N 1.553 122.066 120.500 0.022 0.000 2.410 598 R HA 0.271 4.589 4.340 -0.037 0.000 0.288 598 R C -2.655 173.660 176.300 0.024 0.000 1.051 598 R CA -1.431 54.684 56.100 0.024 0.000 1.021 598 R CB 0.854 31.169 30.300 0.025 0.000 1.032 598 R HN -0.188 nan 8.270 nan 0.000 0.481 599 P HA 0.061 nan 4.420 nan 0.000 0.282 599 P C -0.767 176.548 177.300 0.025 0.000 1.274 599 P CA -0.345 62.771 63.100 0.026 0.000 0.770 599 P CB 0.578 32.296 31.700 0.031 0.000 0.867 600 L N 4.110 125.345 121.223 0.020 0.000 2.678 600 L HA 0.059 4.377 4.340 -0.037 0.000 0.276 600 L C 1.115 177.993 176.870 0.014 0.000 1.142 600 L CA 0.287 55.136 54.840 0.016 0.000 0.961 600 L CB -0.959 41.104 42.059 0.006 0.000 1.291 600 L HN 0.444 nan 8.230 nan 0.000 0.476 601 R N 2.609 123.122 120.500 0.022 0.000 3.924 601 R HA -0.119 4.199 4.340 -0.037 0.000 0.279 601 R C 0.240 176.547 176.300 0.012 0.000 0.562 601 R CA 0.255 56.371 56.100 0.026 0.000 1.007 601 R CB -0.463 29.857 30.300 0.032 0.000 0.920 601 R HN 0.654 nan 8.270 nan 0.000 0.332 602 S N 3.715 119.426 115.700 0.018 0.000 2.584 602 S HA 0.012 4.460 4.470 -0.037 0.000 0.270 602 S C 1.763 176.363 174.600 0.000 0.000 1.346 602 S CA -0.814 57.387 58.200 0.000 0.000 1.018 602 S CB 0.678 63.897 63.200 0.030 0.000 0.899 602 S HN 0.604 nan 8.310 nan 0.000 0.542 603 L N 0.850 122.047 121.223 -0.044 0.000 2.051 603 L HA -0.212 4.105 4.340 -0.037 0.000 0.214 603 L C 2.711 179.585 176.870 0.005 0.000 1.076 603 L CA 1.596 56.407 54.840 -0.050 0.000 0.758 603 L CB -0.868 41.115 42.059 -0.126 0.000 0.890 603 L HN 0.800 nan 8.230 nan 0.000 0.433 604 T N -1.178 113.409 114.554 0.055 0.000 2.857 604 T HA -0.151 4.176 4.350 -0.037 0.000 0.266 604 T C 1.264 176.056 174.700 0.154 0.000 1.048 604 T CA 1.362 63.569 62.100 0.177 0.000 1.139 604 T CB -0.255 68.832 68.868 0.364 0.000 0.874 604 T HN 0.376 nan 8.240 nan 0.000 0.455 605 D N 1.339 121.809 120.400 0.116 0.000 2.203 605 D HA -0.086 4.531 4.640 -0.037 0.000 0.199 605 D C 1.752 178.110 176.300 0.096 0.000 0.997 605 D CA 0.906 54.966 54.000 0.100 0.000 0.863 605 D CB -0.392 40.453 40.800 0.075 0.000 0.928 605 D HN 0.439 nan 8.370 nan 0.000 0.458 606 I N -0.382 120.238 120.570 0.083 0.000 2.617 606 I HA -0.126 4.022 4.170 -0.037 0.000 0.256 606 I C 1.913 178.089 176.117 0.098 0.000 1.167 606 I CA 0.438 61.786 61.300 0.079 0.000 1.469 606 I CB -0.054 37.981 38.000 0.058 0.000 1.098 606 I HN 0.001 nan 8.210 nan 0.000 0.436 607 L N 0.146 121.438 121.223 0.116 0.000 2.056 607 L HA -0.083 4.235 4.340 -0.037 0.000 0.202 607 L C 2.845 179.796 176.870 0.135 0.000 1.086 607 L CA 1.393 56.314 54.840 0.136 0.000 0.758 607 L CB -0.726 41.441 42.059 0.179 0.000 0.912 607 L HN 0.213 nan 8.230 nan 0.000 0.446 608 S N 0.009 115.791 115.700 0.136 0.000 2.368 608 S HA -0.031 4.416 4.470 -0.037 0.000 0.225 608 S C 1.404 176.078 174.600 0.123 0.000 1.030 608 S CA 0.616 58.867 58.200 0.084 0.000 0.999 608 S CB -0.730 62.523 63.200 0.089 0.000 0.844 608 S HN 0.626 nan 8.310 nan 0.000 0.459 609 G N 1.683 110.567 108.800 0.141 0.000 2.638 609 G HA2 -0.210 3.727 3.960 -0.037 0.000 0.269 609 G HA3 -0.210 3.727 3.960 -0.037 0.000 0.269 609 G C 0.189 175.175 174.900 0.143 0.000 1.141 609 G CA 0.223 45.417 45.100 0.157 0.000 1.081 609 G HN 0.508 nan 8.290 nan 0.000 0.527 610 K N -0.946 119.522 120.400 0.113 0.000 2.360 610 K HA -0.093 4.205 4.320 -0.037 0.000 0.201 610 K C 1.685 178.338 176.600 0.089 0.000 1.046 610 K CA 1.494 57.839 56.287 0.098 0.000 0.945 610 K CB 0.107 32.659 32.500 0.086 0.000 0.750 610 K HN 0.439 nan 8.250 nan 0.000 0.464 611 Q N -0.958 118.893 119.800 0.085 0.000 2.201 611 Q HA 0.219 4.536 4.340 -0.037 0.000 0.236 611 Q C -0.029 176.014 176.000 0.072 0.000 0.857 611 Q CA 0.445 56.290 55.803 0.071 0.000 1.025 611 Q CB 1.329 30.102 28.738 0.058 0.000 1.124 611 Q HN 0.429 nan 8.270 nan 0.000 0.473 612 G N 0.714 109.570 108.800 0.093 0.000 2.132 612 G HA2 -0.359 3.578 3.960 -0.037 0.000 0.228 612 G HA3 -0.359 3.578 3.960 -0.037 0.000 0.228 612 G C 0.838 175.781 174.900 0.071 0.000 1.000 612 G CA 0.474 45.623 45.100 0.083 0.000 0.693 612 G HN 0.402 nan 8.290 nan 0.000 0.515 613 R N -0.830 119.732 120.500 0.102 0.000 2.119 613 R HA 0.152 4.469 4.340 -0.037 0.000 0.222 613 R C 2.193 178.563 176.300 0.116 0.000 1.088 613 R CA 1.565 57.721 56.100 0.093 0.000 0.984 613 R CB -0.302 30.059 30.300 0.102 0.000 0.884 613 R HN 0.538 nan 8.270 nan 0.000 0.447 614 F N 1.727 121.690 119.950 0.021 0.000 2.102 614 F HA -0.103 4.401 4.527 -0.037 0.000 0.298 614 F C 1.924 177.720 175.800 -0.007 0.000 1.105 614 F CA 1.319 59.322 58.000 0.006 0.000 1.239 614 F CB -0.181 38.823 39.000 0.006 0.000 0.991 614 F HN -0.099 nan 8.300 nan 0.000 0.474 615 R N 0.612 120.940 120.500 -0.286 0.000 2.096 615 R HA -0.236 4.081 4.340 -0.037 0.000 0.240 615 R C 2.302 178.443 176.300 -0.264 0.000 1.139 615 R CA 1.847 57.731 56.100 -0.360 0.000 0.952 615 R CB -1.390 28.839 30.300 -0.119 0.000 0.854 615 R HN 0.547 nan 8.270 nan 0.000 0.436 616 Q N 0.332 120.052 119.800 -0.133 0.000 2.119 616 Q HA -0.102 4.216 4.340 -0.037 0.000 0.201 616 Q C 1.649 177.591 176.000 -0.095 0.000 0.972 616 Q CA 1.045 56.797 55.803 -0.084 0.000 0.847 616 Q CB 0.054 28.776 28.738 -0.027 0.000 0.903 616 Q HN 0.265 nan 8.270 nan 0.000 0.433 617 N N 0.716 119.359 118.700 -0.095 0.000 2.013 617 N HA -0.152 4.566 4.740 -0.037 0.000 0.195 617 N C 1.670 177.110 175.510 -0.118 0.000 1.051 617 N CA 1.157 54.172 53.050 -0.059 0.000 0.851 617 N CB -0.299 38.207 38.487 0.032 0.000 1.044 617 N HN 0.291 nan 8.380 nan 0.000 0.422 618 L N 1.311 122.377 121.223 -0.262 0.000 2.610 618 L HA 0.031 4.349 4.340 -0.037 0.000 0.232 618 L C 1.986 178.729 176.870 -0.213 0.000 1.149 618 L CA -0.028 54.659 54.840 -0.255 0.000 0.872 618 L CB -0.102 41.713 42.059 -0.405 0.000 0.992 618 L HN 0.173 nan 8.230 nan 0.000 0.447 619 L N -0.129 120.981 121.223 -0.188 0.000 2.465 619 L HA 0.155 4.473 4.340 -0.037 0.000 0.224 619 L C 0.744 177.570 176.870 -0.074 0.000 1.145 619 L CA 0.531 55.296 54.840 -0.124 0.000 0.834 619 L CB 0.004 42.002 42.059 -0.101 0.000 0.944 619 L HN 0.275 nan 8.230 nan 0.000 0.451 620 G N -0.149 108.610 108.800 -0.068 0.000 2.465 620 G HA2 -0.116 3.822 3.960 -0.037 0.000 0.681 620 G HA3 -0.116 3.822 3.960 -0.037 0.000 0.681 620 G C -1.046 173.840 174.900 -0.022 0.000 1.340 620 G CA -0.338 44.738 45.100 -0.040 0.000 0.884 620 G HN 0.138 nan 8.290 nan 0.000 0.650 621 K N -0.350 120.040 120.400 -0.016 0.000 2.836 621 K HA 0.795 5.093 4.320 -0.037 0.000 0.300 621 K C 0.363 176.969 176.600 0.009 0.000 1.004 621 K CA -0.775 55.511 56.287 -0.002 0.000 1.140 621 K CB 0.697 33.195 32.500 -0.003 0.000 1.458 621 K HN 0.491 nan 8.250 nan 0.000 0.550 622 R N 0.727 121.239 120.500 0.020 0.000 2.473 622 R HA 0.309 4.627 4.340 -0.037 0.000 0.303 622 R C -1.302 175.030 176.300 0.052 0.000 1.002 622 R CA -0.710 55.413 56.100 0.038 0.000 0.884 622 R CB 1.858 32.181 30.300 0.038 0.000 1.173 622 R HN 0.247 nan 8.270 nan 0.000 0.464 623 V N 2.760 122.715 119.914 0.068 0.000 2.811 623 V HA -0.060 4.037 4.120 -0.037 0.000 0.302 623 V C 1.093 177.277 176.094 0.150 0.000 1.063 623 V CA 0.417 62.777 62.300 0.100 0.000 1.088 623 V CB 1.150 33.022 31.823 0.083 0.000 0.982 623 V HN 0.766 nan 8.190 nan 0.000 0.485 624 D N 1.570 122.092 120.400 0.203 0.000 2.249 624 D HA -0.023 4.595 4.640 -0.037 0.000 0.205 624 D C -0.063 176.315 176.300 0.131 0.000 0.962 624 D CA 1.161 55.264 54.000 0.172 0.000 0.860 624 D CB 0.258 41.201 40.800 0.239 0.000 0.955 624 D HN 0.624 nan 8.370 nan 0.000 0.505 625 Y N 0.640 120.995 120.300 0.093 0.000 2.726 625 Y HA 0.270 4.798 4.550 -0.037 0.000 0.367 625 Y C 0.128 176.119 175.900 0.152 0.000 1.038 625 Y CA -0.817 57.341 58.100 0.096 0.000 1.174 625 Y CB 0.389 38.877 38.460 0.046 0.000 1.265 625 Y HN -0.240 nan 8.280 nan 0.000 0.622 626 S N -0.971 114.876 115.700 0.245 0.000 2.745 626 S HA 1.016 5.464 4.470 -0.037 0.000 0.306 626 S C 0.016 174.656 174.600 0.066 0.000 1.137 626 S CA -0.799 57.511 58.200 0.185 0.000 0.900 626 S CB 2.578 65.947 63.200 0.283 0.000 1.176 626 S HN 0.523 nan 8.310 nan 0.000 0.520 627 G N -0.442 108.340 108.800 -0.030 0.000 2.623 627 G HA2 0.686 4.624 3.960 -0.037 0.000 0.290 627 G HA3 0.686 4.624 3.960 -0.037 0.000 0.290 627 G C -1.955 172.908 174.900 -0.061 0.000 1.437 627 G CA -0.829 44.258 45.100 -0.021 0.000 0.798 627 G HN 0.710 nan 8.290 nan 0.000 0.488 628 R N -0.676 119.802 120.500 -0.037 0.000 2.604 628 R HA 0.645 4.963 4.340 -0.037 0.000 0.261 628 R C -1.387 174.892 176.300 -0.034 0.000 1.080 628 R CA -0.198 55.877 56.100 -0.041 0.000 0.917 628 R CB 1.859 32.144 30.300 -0.026 0.000 1.252 628 R HN 1.266 nan 8.270 nan 0.000 0.456 629 S N 1.958 117.634 115.700 -0.041 0.000 2.615 629 S HA 0.361 4.808 4.470 -0.037 0.000 0.268 629 S C -1.153 173.423 174.600 -0.040 0.000 1.146 629 S CA -0.657 57.520 58.200 -0.039 0.000 0.818 629 S CB 1.456 64.627 63.200 -0.048 0.000 1.111 629 S HN 0.247 nan 8.310 nan 0.000 0.465 630 V N 2.669 122.562 119.914 -0.036 0.000 3.096 630 V HA 0.354 4.452 4.120 -0.037 0.000 0.306 630 V C 0.617 176.694 176.094 -0.029 0.000 1.088 630 V CA 0.092 62.378 62.300 -0.024 0.000 1.129 630 V CB 0.379 32.187 31.823 -0.024 0.000 1.014 630 V HN 0.786 nan 8.190 nan 0.000 0.486 631 I N 0.524 121.106 120.570 0.019 0.000 2.648 631 I HA 0.879 5.026 4.170 -0.037 0.000 0.304 631 I C -0.898 175.218 176.117 -0.002 0.000 1.009 631 I CA -0.768 60.559 61.300 0.045 0.000 1.114 631 I CB 2.109 40.199 38.000 0.151 0.000 1.293 631 I HN 0.299 nan 8.210 nan 0.000 0.449 632 V N 5.381 125.138 119.914 -0.262 0.000 2.711 632 V HA 0.193 4.291 4.120 -0.037 0.000 0.304 632 V C -0.154 175.369 176.094 -0.952 0.000 1.097 632 V CA -0.789 61.067 62.300 -0.740 0.000 0.906 632 V CB 2.221 33.797 31.823 -0.412 0.000 1.015 632 V HN 0.706 nan 8.190 nan 0.000 0.427 633 V N 4.943 123.848 119.914 -1.682 0.000 2.790 633 V HA 0.270 4.367 4.120 -0.037 0.000 0.304 633 V C 1.051 176.888 176.094 -0.428 0.000 1.142 633 V CA 1.628 63.433 62.300 -0.824 0.000 1.282 633 V CB 1.181 32.676 31.823 -0.547 0.000 0.877 633 V HN 1.141 nan 8.190 nan 0.000 0.504 634 G N 6.935 115.574 108.800 -0.267 0.000 4.766 634 G HA2 0.439 4.376 3.960 -0.037 0.000 0.331 634 G HA3 0.439 4.376 3.960 -0.037 0.000 0.331 634 G C -1.548 173.208 174.900 -0.240 0.000 1.473 634 G CA -0.582 44.375 45.100 -0.238 0.000 1.076 634 G HN 0.713 nan 8.290 nan 0.000 0.544 635 P HA -0.283 nan 4.420 nan 0.000 0.219 635 P C 1.884 179.108 177.300 -0.125 0.000 1.159 635 P CA 1.369 64.353 63.100 -0.194 0.000 0.944 635 P CB 0.354 31.887 31.700 -0.277 0.000 0.792 636 Q N -1.423 118.292 119.800 -0.142 0.000 2.297 636 Q HA -0.017 4.301 4.340 -0.037 0.000 0.204 636 Q C 1.043 176.981 176.000 -0.103 0.000 0.962 636 Q CA 0.276 56.000 55.803 -0.132 0.000 0.879 636 Q CB -1.108 27.545 28.738 -0.142 0.000 0.947 636 Q HN 0.257 nan 8.270 nan 0.000 0.462 637 L N 1.824 122.977 121.223 -0.117 0.000 2.516 637 L HA -0.083 4.234 4.340 -0.037 0.000 0.288 637 L C -0.020 176.904 176.870 0.090 0.000 1.246 637 L CA 0.864 55.676 54.840 -0.046 0.000 0.844 637 L CB 0.412 42.424 42.059 -0.078 0.000 1.106 637 L HN -0.090 nan 8.230 nan 0.000 0.509 638 K N 4.538 125.060 120.400 0.204 0.000 2.156 638 K HA 0.267 4.565 4.320 -0.037 0.000 0.254 638 K C 1.080 177.935 176.600 0.425 0.000 0.950 638 K CA -0.864 55.618 56.287 0.325 0.000 0.849 638 K CB 1.532 34.146 32.500 0.189 0.000 1.100 638 K HN 0.631 nan 8.250 nan 0.000 0.434 639 L N 1.323 122.697 121.223 0.251 0.000 2.054 639 L HA -0.339 3.978 4.340 -0.037 0.000 0.220 639 L C 2.413 179.440 176.870 0.261 0.000 1.081 639 L CA 1.571 56.440 54.840 0.048 0.000 0.780 639 L CB -0.583 41.410 42.059 -0.110 0.000 0.893 639 L HN 0.753 nan 8.230 nan 0.000 0.438 640 H N 0.316 119.447 119.070 0.103 0.000 2.357 640 H HA -0.139 4.395 4.556 -0.038 0.000 0.296 640 H C 1.075 176.524 175.328 0.203 0.000 1.108 640 H CA 1.497 57.591 56.048 0.076 0.000 1.273 640 H CB 0.026 29.810 29.762 0.038 0.000 1.367 640 H HN 0.514 nan 8.280 nan 0.000 0.498 641 Q N -1.406 118.639 119.800 0.408 0.000 2.699 641 Q HA 0.534 4.852 4.340 -0.037 0.000 0.240 641 Q C -0.439 175.706 176.000 0.243 0.000 1.033 641 Q CA -0.588 55.401 55.803 0.309 0.000 0.938 641 Q CB 2.553 31.364 28.738 0.123 0.000 1.312 641 Q HN 0.402 nan 8.270 nan 0.000 0.507 642 C N -2.492 116.829 119.300 0.035 0.000 3.181 642 C HA 0.808 5.245 4.460 -0.037 0.000 0.362 642 C C -0.110 174.796 174.990 -0.141 0.000 1.125 642 C CA -0.876 58.027 59.018 -0.192 0.000 1.265 642 C CB 0.600 27.977 27.740 -0.604 0.000 1.632 642 C HN 0.938 nan 8.230 nan 0.000 0.525 643 G N 2.193 110.896 108.800 -0.161 0.000 2.320 643 G HA2 0.658 4.596 3.960 -0.037 0.000 0.300 643 G HA3 0.658 4.596 3.960 -0.037 0.000 0.300 643 G C -0.866 173.942 174.900 -0.153 0.000 1.126 643 G CA -0.339 44.674 45.100 -0.145 0.000 0.896 643 G HN 1.564 nan 8.290 nan 0.000 0.436 644 L N 1.476 122.614 121.223 -0.141 0.000 2.362 644 L HA 0.733 5.051 4.340 -0.037 0.000 0.271 644 L C -2.869 173.916 176.870 -0.142 0.000 1.002 644 L CA -3.110 51.649 54.840 -0.135 0.000 0.818 644 L CB 1.670 43.656 42.059 -0.122 0.000 1.298 644 L HN 0.097 nan 8.230 nan 0.000 0.420 645 P HA 0.117 nan 4.420 nan 0.000 0.266 645 P C 0.047 177.263 177.300 -0.141 0.000 1.215 645 P CA -0.240 62.777 63.100 -0.137 0.000 0.763 645 P CB 0.545 32.182 31.700 -0.106 0.000 0.806 646 K N 4.235 124.511 120.400 -0.207 0.000 2.113 646 K HA -0.276 4.022 4.320 -0.037 0.000 0.208 646 K C 1.863 178.414 176.600 -0.083 0.000 1.047 646 K CA 1.250 57.406 56.287 -0.219 0.000 0.928 646 K CB -0.396 31.809 32.500 -0.493 0.000 0.716 646 K HN 0.048 nan 8.250 nan 0.000 0.446 647 R N 1.149 121.595 120.500 -0.090 0.000 2.096 647 R HA -0.083 4.235 4.340 -0.037 0.000 0.240 647 R C 2.341 178.681 176.300 0.066 0.000 1.139 647 R CA 2.110 58.242 56.100 0.052 0.000 0.952 647 R CB -0.495 29.814 30.300 0.015 0.000 0.854 647 R HN 0.483 nan 8.270 nan 0.000 0.436 648 M N -0.740 118.866 119.600 0.011 0.000 2.132 648 M HA -0.098 4.360 4.480 -0.037 0.000 0.263 648 M C 1.998 178.330 176.300 0.053 0.000 1.065 648 M CA 1.967 57.283 55.300 0.026 0.000 1.122 648 M CB -0.192 32.404 32.600 -0.006 0.000 1.365 648 M HN 0.305 nan 8.290 nan 0.000 0.411 649 A N 0.750 123.572 122.820 0.003 0.000 1.917 649 A HA -0.246 4.051 4.320 -0.037 0.000 0.219 649 A C 2.035 179.684 177.584 0.107 0.000 1.182 649 A CA 1.956 53.966 52.037 -0.045 0.000 0.633 649 A CB -1.167 17.739 19.000 -0.157 0.000 0.819 649 A HN 0.614 nan 8.150 nan 0.000 0.448 650 L N -0.579 120.743 121.223 0.165 0.000 1.990 650 L HA -0.226 4.092 4.340 -0.037 0.000 0.213 650 L C 2.491 179.470 176.870 0.181 0.000 1.072 650 L CA 2.550 57.514 54.840 0.207 0.000 0.755 650 L CB -0.403 41.799 42.059 0.238 0.000 0.889 650 L HN 0.400 nan 8.230 nan 0.000 0.432 651 E N -0.475 119.813 120.200 0.147 0.000 2.017 651 E HA -0.210 4.118 4.350 -0.037 0.000 0.193 651 E C 2.222 178.912 176.600 0.150 0.000 0.997 651 E CA 1.582 58.050 56.400 0.113 0.000 0.804 651 E CB -0.476 29.270 29.700 0.077 0.000 0.757 651 E HN 0.327 nan 8.360 nan 0.000 0.448 652 L N 0.110 121.465 121.223 0.220 0.000 1.963 652 L HA -0.206 4.112 4.340 -0.037 0.000 0.220 652 L C 1.976 179.109 176.870 0.438 0.000 1.076 652 L CA 1.618 56.659 54.840 0.336 0.000 0.772 652 L CB -0.912 41.455 42.059 0.514 0.000 0.892 652 L HN 0.121 nan 8.230 nan 0.000 0.435 653 F N -0.135 119.904 119.950 0.148 0.000 2.696 653 F HA 0.109 4.614 4.527 -0.037 0.000 0.296 653 F C 1.826 177.773 175.800 0.245 0.000 1.181 653 F CA -0.310 57.815 58.000 0.208 0.000 1.411 653 F CB -1.177 37.891 39.000 0.112 0.000 1.014 653 F HN 0.107 nan 8.300 nan 0.000 0.512 654 K N 1.348 121.938 120.400 0.315 0.000 1.987 654 K HA -0.186 4.111 4.320 -0.037 0.000 0.216 654 K C -0.650 176.075 176.600 0.208 0.000 1.051 654 K CA 1.878 58.288 56.287 0.206 0.000 0.942 654 K CB -1.015 31.548 32.500 0.105 0.000 0.722 654 K HN 0.100 nan 8.250 nan 0.000 0.444 655 P HA -0.181 nan 4.420 nan 0.000 0.215 655 P C 0.980 178.346 177.300 0.110 0.000 1.163 655 P CA 1.613 64.786 63.100 0.121 0.000 0.894 655 P CB -0.104 31.665 31.700 0.115 0.000 0.791 656 F N -1.615 118.402 119.950 0.112 0.000 2.250 656 F HA -0.126 4.379 4.527 -0.037 0.000 0.301 656 F C 2.190 178.065 175.800 0.125 0.000 1.077 656 F CA 0.942 59.009 58.000 0.112 0.000 1.348 656 F CB -1.202 37.877 39.000 0.132 0.000 1.040 656 F HN -0.123 nan 8.300 nan 0.000 0.509 657 L N -0.244 121.177 121.223 0.329 0.000 2.044 657 L HA -0.100 4.217 4.340 -0.037 0.000 0.205 657 L C 2.061 179.004 176.870 0.121 0.000 1.075 657 L CA 1.538 56.508 54.840 0.216 0.000 0.747 657 L CB -0.719 41.460 42.059 0.199 0.000 0.903 657 L HN 0.070 nan 8.230 nan 0.000 0.435 658 L N -0.125 121.155 121.223 0.093 0.000 1.990 658 L HA -0.275 4.043 4.340 -0.037 0.000 0.213 658 L C 2.747 179.635 176.870 0.030 0.000 1.072 658 L CA 1.821 56.687 54.840 0.043 0.000 0.755 658 L CB -0.939 41.135 42.059 0.026 0.000 0.889 658 L HN 0.304 nan 8.230 nan 0.000 0.432 659 K N 0.766 121.180 120.400 0.024 0.000 2.057 659 K HA -0.236 4.061 4.320 -0.037 0.000 0.207 659 K C 2.171 178.792 176.600 0.035 0.000 1.049 659 K CA 1.594 57.887 56.287 0.010 0.000 0.931 659 K CB -0.033 32.454 32.500 -0.022 0.000 0.714 659 K HN -0.002 nan 8.250 nan 0.000 0.440 660 K N 0.748 121.190 120.400 0.069 0.000 2.147 660 K HA -0.015 4.283 4.320 -0.037 0.000 0.205 660 K C 2.149 178.778 176.600 0.048 0.000 1.049 660 K CA 1.265 57.597 56.287 0.075 0.000 0.936 660 K CB -0.103 32.466 32.500 0.115 0.000 0.722 660 K HN 0.163 nan 8.250 nan 0.000 0.446 661 M N 0.091 119.714 119.600 0.037 0.000 2.086 661 M HA -0.172 4.285 4.480 -0.037 0.000 0.261 661 M C 2.137 178.443 176.300 0.009 0.000 1.067 661 M CA 1.683 56.991 55.300 0.015 0.000 1.116 661 M CB -0.390 32.211 32.600 0.002 0.000 1.348 661 M HN 0.215 nan 8.290 nan 0.000 0.407 662 E N 0.729 120.934 120.200 0.009 0.000 2.118 662 E HA -0.218 4.109 4.350 -0.037 0.000 0.195 662 E C 1.690 178.295 176.600 0.008 0.000 0.992 662 E CA 1.259 57.661 56.400 0.004 0.000 0.804 662 E CB -0.039 29.662 29.700 0.001 0.000 0.741 662 E HN 0.472 nan 8.360 nan 0.000 0.458 663 E N 0.734 120.944 120.200 0.016 0.000 2.097 663 E HA -0.146 4.181 4.350 -0.037 0.000 0.196 663 E C 0.803 177.413 176.600 0.017 0.000 1.000 663 E CA 1.069 57.481 56.400 0.020 0.000 0.804 663 E CB -0.007 29.713 29.700 0.033 0.000 0.740 663 E HN 0.267 nan 8.360 nan 0.000 0.454 664 K N -1.083 119.326 120.400 0.016 0.000 2.419 664 K HA 0.325 4.623 4.320 -0.037 0.000 0.246 664 K C 1.308 177.910 176.600 0.003 0.000 1.037 664 K CA 0.025 56.319 56.287 0.011 0.000 0.982 664 K CB 0.679 33.186 32.500 0.012 0.000 1.283 664 K HN -0.016 nan 8.250 nan 0.000 0.500 665 G N 0.306 109.105 108.800 -0.000 0.000 2.650 665 G HA2 -0.096 3.841 3.960 -0.037 0.000 0.214 665 G HA3 -0.096 3.841 3.960 -0.037 0.000 0.214 665 G C 1.278 176.172 174.900 -0.011 0.000 1.136 665 G CA 0.255 45.352 45.100 -0.005 0.000 0.789 665 G HN 0.478 nan 8.290 nan 0.000 0.536 666 I N 1.012 121.574 120.570 -0.014 0.000 2.147 666 I HA -0.206 3.942 4.170 -0.037 0.000 0.245 666 I C 1.630 177.731 176.117 -0.026 0.000 1.059 666 I CA 1.319 62.604 61.300 -0.025 0.000 1.320 666 I CB -0.269 37.713 38.000 -0.029 0.000 1.021 666 I HN 0.277 nan 8.210 nan 0.000 0.415 667 A N -1.078 121.731 122.820 -0.019 0.000 2.498 667 A HA 0.569 4.867 4.320 -0.037 0.000 0.298 667 A C -2.194 175.382 177.584 -0.012 0.000 1.075 667 A CA -1.051 50.975 52.037 -0.018 0.000 0.714 667 A CB 1.120 20.108 19.000 -0.020 0.000 1.299 667 A HN -0.150 nan 8.150 nan 0.000 0.407 668 P HA 0.030 nan 4.420 nan 0.000 0.217 668 P C 0.045 177.340 177.300 -0.009 0.000 1.154 668 P CA 1.156 64.250 63.100 -0.010 0.000 0.841 668 P CB 0.230 31.924 31.700 -0.011 0.000 0.790 669 N N -3.117 115.577 118.700 -0.010 0.000 2.972 669 N HA 0.080 4.798 4.740 -0.037 0.000 0.262 669 N C 0.652 176.156 175.510 -0.010 0.000 1.478 669 N CA -0.512 52.532 53.050 -0.010 0.000 0.841 669 N CB 0.908 39.389 38.487 -0.010 0.000 1.512 669 N HN -0.348 nan 8.380 nan 0.000 0.548 670 V N 1.114 121.022 119.914 -0.010 0.000 2.215 670 V HA -0.244 3.853 4.120 -0.037 0.000 0.246 670 V C 2.473 178.561 176.094 -0.010 0.000 1.047 670 V CA 1.903 64.197 62.300 -0.010 0.000 0.999 670 V CB -0.752 31.064 31.823 -0.012 0.000 0.635 670 V HN 0.670 nan 8.190 nan 0.000 0.450 671 K N -0.033 120.360 120.400 -0.011 0.000 2.127 671 K HA -0.234 4.064 4.320 -0.037 0.000 0.208 671 K C 2.194 178.786 176.600 -0.013 0.000 1.047 671 K CA 1.836 58.116 56.287 -0.012 0.000 0.927 671 K CB -0.901 31.593 32.500 -0.011 0.000 0.716 671 K HN 0.548 nan 8.250 nan 0.000 0.450 672 A N 1.034 123.845 122.820 -0.014 0.000 1.835 672 A HA -0.092 4.205 4.320 -0.037 0.000 0.215 672 A C 2.416 179.988 177.584 -0.020 0.000 1.199 672 A CA 2.343 54.370 52.037 -0.017 0.000 0.615 672 A CB -0.937 18.054 19.000 -0.016 0.000 0.838 672 A HN 0.309 nan 8.150 nan 0.000 0.444 673 A N -0.252 122.557 122.820 -0.019 0.000 1.958 673 A HA -0.255 4.043 4.320 -0.037 0.000 0.221 673 A C 2.250 179.821 177.584 -0.023 0.000 1.178 673 A CA 1.901 53.925 52.037 -0.022 0.000 0.642 673 A CB -0.552 18.441 19.000 -0.012 0.000 0.816 673 A HN 0.600 nan 8.150 nan 0.000 0.453 674 R N -1.020 119.471 120.500 -0.016 0.000 2.061 674 R HA -0.078 4.239 4.340 -0.037 0.000 0.230 674 R C 2.492 178.780 176.300 -0.020 0.000 1.140 674 R CA 1.491 57.582 56.100 -0.014 0.000 0.940 674 R CB -0.397 29.896 30.300 -0.010 0.000 0.839 674 R HN 0.488 nan 8.270 nan 0.000 0.429 675 R N 0.344 120.832 120.500 -0.020 0.000 2.105 675 R HA -0.109 4.209 4.340 -0.037 0.000 0.239 675 R C 2.362 178.644 176.300 -0.029 0.000 1.135 675 R CA 1.250 57.337 56.100 -0.022 0.000 0.967 675 R CB -0.315 29.973 30.300 -0.020 0.000 0.861 675 R HN 0.226 nan 8.270 nan 0.000 0.442 676 M N 0.723 120.302 119.600 -0.035 0.000 2.195 676 M HA -0.159 4.299 4.480 -0.037 0.000 0.260 676 M C 1.535 177.799 176.300 -0.061 0.000 1.066 676 M CA 1.727 56.998 55.300 -0.049 0.000 1.089 676 M CB -0.100 32.468 32.600 -0.054 0.000 1.377 676 M HN 0.201 nan 8.290 nan 0.000 0.411 677 L N -0.646 120.545 121.223 -0.053 0.000 2.616 677 L HA 0.000 4.318 4.340 -0.037 0.000 0.229 677 L C 2.019 178.868 176.870 -0.034 0.000 1.110 677 L CA 0.063 54.869 54.840 -0.057 0.000 0.884 677 L CB -0.457 41.572 42.059 -0.050 0.000 1.115 677 L HN 0.327 nan 8.230 nan 0.000 0.481 678 E N 1.541 121.725 120.200 -0.027 0.000 2.209 678 E HA -0.168 4.159 4.350 -0.037 0.000 0.196 678 E C 0.459 177.050 176.600 -0.015 0.000 0.993 678 E CA 0.739 57.129 56.400 -0.017 0.000 0.819 678 E CB 0.054 29.745 29.700 -0.016 0.000 0.745 678 E HN 0.459 nan 8.360 nan 0.000 0.477 679 R N 0.673 121.161 120.500 -0.020 0.000 2.534 679 R HA 0.225 4.543 4.340 -0.037 0.000 0.301 679 R C 0.873 177.162 176.300 -0.017 0.000 0.961 679 R CA -0.502 55.589 56.100 -0.015 0.000 0.871 679 R CB 1.497 31.787 30.300 -0.015 0.000 1.170 679 R HN 0.026 nan 8.270 nan 0.000 0.446 680 Q N 2.196 121.994 119.800 -0.002 0.000 1.998 680 Q HA -0.273 4.045 4.340 -0.037 0.000 0.209 680 Q C 1.573 177.572 176.000 -0.002 0.000 1.002 680 Q CA 2.224 58.033 55.803 0.009 0.000 0.858 680 Q CB -0.133 28.623 28.738 0.030 0.000 0.932 680 Q HN 0.520 nan 8.270 nan 0.000 0.416 681 R N 0.648 121.149 120.500 0.001 0.000 2.355 681 R HA -0.100 4.218 4.340 -0.037 0.000 0.219 681 R C 0.644 176.932 176.300 -0.020 0.000 1.107 681 R CA 1.334 57.433 56.100 -0.002 0.000 1.021 681 R CB -0.103 30.197 30.300 -0.001 0.000 0.852 681 R HN 0.067 nan 8.270 nan 0.000 0.475 682 D N 0.785 121.164 120.400 -0.035 0.000 2.525 682 D HA 0.234 4.852 4.640 -0.037 0.000 0.229 682 D C -0.630 175.621 176.300 -0.081 0.000 1.202 682 D CA -0.259 53.712 54.000 -0.048 0.000 0.828 682 D CB 0.173 40.948 40.800 -0.041 0.000 1.008 682 D HN 0.241 nan 8.370 nan 0.000 0.493 683 I N 1.283 121.786 120.570 -0.111 0.000 2.355 683 I HA 0.214 4.361 4.170 -0.037 0.000 0.288 683 I C 0.473 176.466 176.117 -0.206 0.000 0.999 683 I CA -0.842 60.339 61.300 -0.198 0.000 1.163 683 I CB 1.488 39.295 38.000 -0.320 0.000 1.316 683 I HN -0.400 nan 8.210 nan 0.000 0.454 684 K N 4.217 124.508 120.400 -0.182 0.000 2.382 684 K HA 0.058 4.356 4.320 -0.037 0.000 0.275 684 K C 0.203 176.677 176.600 -0.210 0.000 1.009 684 K CA -0.238 55.964 56.287 -0.142 0.000 0.970 684 K CB 0.833 33.274 32.500 -0.098 0.000 0.934 684 K HN 0.477 nan 8.250 nan 0.000 0.479 685 D N 2.064 122.398 120.400 -0.111 0.000 2.311 685 D HA -0.140 4.477 4.640 -0.037 0.000 0.212 685 D C 0.925 177.197 176.300 -0.046 0.000 0.972 685 D CA 1.193 55.163 54.000 -0.049 0.000 0.887 685 D CB 0.177 41.037 40.800 0.100 0.000 0.915 685 D HN 0.536 nan 8.370 nan 0.000 0.497 686 E N -0.063 120.098 120.200 -0.065 0.000 2.204 686 E HA -0.121 4.207 4.350 -0.037 0.000 0.195 686 E C 2.014 178.581 176.600 -0.055 0.000 0.990 686 E CA 0.556 56.936 56.400 -0.033 0.000 0.821 686 E CB 0.135 29.814 29.700 -0.035 0.000 0.750 686 E HN 0.218 nan 8.360 nan 0.000 0.477 687 V N 0.186 119.998 119.914 -0.170 0.000 2.343 687 V HA -0.231 3.867 4.120 -0.037 0.000 0.247 687 V C 1.834 177.874 176.094 -0.091 0.000 1.051 687 V CA 1.707 63.890 62.300 -0.196 0.000 1.036 687 V CB -0.809 30.789 31.823 -0.375 0.000 0.654 687 V HN 0.406 nan 8.190 nan 0.000 0.451 688 W N 0.401 121.701 121.300 0.000 0.000 2.342 688 W HA -0.164 4.474 4.660 -0.036 0.000 0.297 688 W C 2.242 178.756 176.519 -0.009 0.000 1.213 688 W CA 0.753 58.093 57.345 -0.009 0.000 1.251 688 W CB -0.323 29.127 29.460 -0.017 0.000 1.136 688 W HN 0.261 nan 8.180 nan 0.000 0.526 689 D N -0.130 120.397 120.400 0.213 0.000 2.312 689 D HA -0.060 4.558 4.640 -0.037 0.000 0.211 689 D C 2.044 178.398 176.300 0.090 0.000 0.964 689 D CA 1.279 55.351 54.000 0.120 0.000 0.877 689 D CB -0.364 40.482 40.800 0.077 0.000 0.924 689 D HN 0.168 nan 8.370 nan 0.000 0.515 690 A N 0.878 123.750 122.820 0.087 0.000 1.855 690 A HA -0.069 4.228 4.320 -0.037 0.000 0.213 690 A C 2.130 179.781 177.584 0.112 0.000 1.195 690 A CA 0.551 52.634 52.037 0.077 0.000 0.610 690 A CB -0.728 18.301 19.000 0.047 0.000 0.837 690 A HN 0.183 nan 8.150 nan 0.000 0.444 691 L N 0.174 121.481 121.223 0.140 0.000 1.971 691 L HA -0.212 4.105 4.340 -0.037 0.000 0.215 691 L C 2.358 179.293 176.870 0.110 0.000 1.072 691 L CA 2.676 57.608 54.840 0.153 0.000 0.758 691 L CB -0.645 41.538 42.059 0.206 0.000 0.889 691 L HN 0.538 nan 8.230 nan 0.000 0.433 692 E N -0.404 119.859 120.200 0.104 0.000 2.233 692 E HA -0.320 4.007 4.350 -0.037 0.000 0.199 692 E C 2.007 178.644 176.600 0.062 0.000 1.004 692 E CA 1.771 58.204 56.400 0.055 0.000 0.819 692 E CB 0.046 29.775 29.700 0.049 0.000 0.738 692 E HN 0.734 nan 8.360 nan 0.000 0.478 693 E N -0.708 119.540 120.200 0.079 0.000 2.102 693 E HA -0.081 4.247 4.350 -0.037 0.000 0.190 693 E C 2.158 178.847 176.600 0.147 0.000 0.971 693 E CA 0.704 57.154 56.400 0.084 0.000 0.821 693 E CB 0.325 30.064 29.700 0.064 0.000 0.777 693 E HN 0.082 nan 8.360 nan 0.000 0.460 694 V N 1.355 121.363 119.914 0.156 0.000 2.295 694 V HA -0.252 3.846 4.120 -0.037 0.000 0.246 694 V C 2.430 178.640 176.094 0.193 0.000 1.049 694 V CA 1.575 63.997 62.300 0.203 0.000 1.024 694 V CB -0.500 31.483 31.823 0.267 0.000 0.648 694 V HN 0.327 nan 8.190 nan 0.000 0.447 695 I N -0.136 120.517 120.570 0.138 0.000 2.335 695 I HA -0.190 3.958 4.170 -0.037 0.000 0.251 695 I C 1.457 177.634 176.117 0.100 0.000 1.129 695 I CA 0.968 62.309 61.300 0.068 0.000 1.402 695 I CB -0.597 37.345 38.000 -0.097 0.000 1.069 695 I HN 0.490 nan 8.210 nan 0.000 0.424 696 H N 0.934 120.019 119.070 0.025 0.000 3.223 696 H HA 0.247 4.780 4.556 -0.037 0.000 0.287 696 H C 1.246 176.592 175.328 0.030 0.000 0.910 696 H CA 0.660 56.719 56.048 0.018 0.000 1.406 696 H CB -0.267 29.510 29.762 0.025 0.000 1.377 696 H HN 0.478 nan 8.280 nan 0.000 0.556 697 G N 3.886 112.479 108.800 -0.345 0.000 3.757 697 G HA2 -0.318 3.620 3.960 -0.037 0.000 0.215 697 G HA3 -0.318 3.620 3.960 -0.037 0.000 0.215 697 G C 0.592 175.440 174.900 -0.087 0.000 1.411 697 G CA 0.205 45.133 45.100 -0.287 0.000 0.896 697 G HN 0.769 nan 8.290 nan 0.000 0.581 698 K N 0.821 121.208 120.400 -0.020 0.000 2.457 698 K HA 0.385 4.682 4.320 -0.037 0.000 0.269 698 K C 0.615 177.254 176.600 0.067 0.000 0.969 698 K CA 0.868 57.177 56.287 0.037 0.000 0.921 698 K CB 0.798 33.349 32.500 0.085 0.000 0.940 698 K HN 1.180 nan 8.250 nan 0.000 0.517 699 V N -1.662 118.309 119.914 0.095 0.000 3.130 699 V HA 0.737 4.835 4.120 -0.037 0.000 0.310 699 V C -0.532 175.666 176.094 0.173 0.000 1.158 699 V CA -1.045 61.332 62.300 0.128 0.000 1.029 699 V CB 1.636 33.527 31.823 0.113 0.000 1.057 699 V HN 0.569 nan 8.190 nan 0.000 0.436 700 V N 0.054 120.093 119.914 0.209 0.000 3.158 700 V HA 0.869 4.966 4.120 -0.037 0.000 0.315 700 V C -0.797 175.446 176.094 0.249 0.000 1.148 700 V CA -0.962 61.478 62.300 0.234 0.000 1.042 700 V CB 1.722 33.688 31.823 0.238 0.000 1.101 700 V HN 0.866 nan 8.190 nan 0.000 0.448 701 L N 1.492 122.859 121.223 0.239 0.000 2.334 701 L HA 0.757 5.074 4.340 -0.037 0.000 0.273 701 L C -0.713 176.315 176.870 0.263 0.000 1.013 701 L CA -0.264 54.734 54.840 0.262 0.000 0.816 701 L CB 1.544 43.747 42.059 0.241 0.000 1.278 701 L HN 0.581 nan 8.230 nan 0.000 0.431 702 L N 2.586 124.015 121.223 0.342 0.000 2.386 702 L HA 0.528 4.845 4.340 -0.037 0.000 0.271 702 L C -0.286 176.770 176.870 0.310 0.000 0.993 702 L CA -0.152 54.832 54.840 0.239 0.000 0.819 702 L CB 1.792 43.951 42.059 0.167 0.000 1.294 702 L HN 0.572 nan 8.230 nan 0.000 0.414 703 N N 1.022 119.831 118.700 0.182 0.000 2.362 703 N HA 0.697 5.415 4.740 -0.037 0.000 0.299 703 N C -1.099 174.507 175.510 0.161 0.000 1.170 703 N CA -0.747 52.447 53.050 0.240 0.000 0.825 703 N CB 2.033 40.640 38.487 0.200 0.000 1.299 703 N HN 0.508 nan 8.380 nan 0.000 0.502 704 R N 1.120 121.766 120.500 0.244 0.000 2.892 704 R HA 0.634 4.951 4.340 -0.037 0.000 0.265 704 R C 0.311 176.673 176.300 0.104 0.000 1.025 704 R CA -0.051 56.153 56.100 0.173 0.000 0.982 704 R CB 0.744 31.268 30.300 0.374 0.000 1.185 704 R HN 0.625 nan 8.270 nan 0.000 0.484 705 A N 2.114 124.968 122.820 0.057 0.000 1.862 705 A HA 0.040 4.338 4.320 -0.037 0.000 0.214 705 A C -1.260 176.341 177.584 0.029 0.000 1.228 705 A CA 1.379 53.436 52.037 0.033 0.000 0.665 705 A CB -1.754 17.255 19.000 0.015 0.000 0.845 705 A HN 0.674 nan 8.150 nan 0.000 0.459 706 P HA 0.338 nan 4.420 nan 0.000 0.295 706 P C -1.114 176.170 177.300 -0.028 0.000 1.354 706 P CA -0.025 63.070 63.100 -0.007 0.000 0.814 706 P CB 1.220 32.909 31.700 -0.020 0.000 0.935 707 T N 4.619 119.163 114.554 -0.017 0.000 3.182 707 T HA 0.120 4.447 4.350 -0.037 0.000 0.274 707 T C 1.432 176.073 174.700 -0.098 0.000 0.997 707 T CA 0.261 62.336 62.100 -0.041 0.000 1.082 707 T CB -0.487 68.386 68.868 0.008 0.000 1.005 707 T HN 0.267 nan 8.240 nan 0.000 0.688 708 L N 1.950 123.047 121.223 -0.209 0.000 2.102 708 L HA 0.132 4.449 4.340 -0.037 0.000 0.202 708 L C 1.094 177.856 176.870 -0.181 0.000 1.076 708 L CA 0.876 55.589 54.840 -0.213 0.000 0.761 708 L CB -0.101 41.801 42.059 -0.261 0.000 0.921 708 L HN 0.684 nan 8.230 nan 0.000 0.444 709 H N -3.311 115.725 119.070 -0.056 0.000 2.864 709 H HA 0.375 4.909 4.556 -0.037 0.000 0.354 709 H C 0.786 176.063 175.328 -0.085 0.000 1.208 709 H CA -1.311 54.694 56.048 -0.073 0.000 1.191 709 H CB 0.314 30.024 29.762 -0.086 0.000 1.889 709 H HN -0.116 nan 8.280 nan 0.000 0.574 710 R N -0.049 120.525 120.500 0.122 0.000 2.133 710 R HA -0.117 4.200 4.340 -0.037 0.000 0.247 710 R C 0.862 177.176 176.300 0.023 0.000 1.151 710 R CA 1.863 57.987 56.100 0.040 0.000 0.971 710 R CB -0.653 29.645 30.300 -0.004 0.000 0.866 710 R HN 0.422 nan 8.270 nan 0.000 0.447 711 L N 1.348 122.602 121.223 0.051 0.000 2.549 711 L HA 0.066 4.383 4.340 -0.037 0.000 0.229 711 L C 2.194 178.875 176.870 -0.314 0.000 1.158 711 L CA 1.663 56.434 54.840 -0.114 0.000 0.842 711 L CB -1.507 40.432 42.059 -0.200 0.000 0.952 711 L HN 0.596 nan 8.230 nan 0.000 0.452 712 G N -0.153 108.556 108.800 -0.151 0.000 2.653 712 G HA2 -0.076 3.862 3.960 -0.037 0.000 0.212 712 G HA3 -0.076 3.862 3.960 -0.037 0.000 0.212 712 G C 0.802 175.728 174.900 0.043 0.000 1.138 712 G CA 0.196 45.165 45.100 -0.218 0.000 0.782 712 G HN 0.351 nan 8.290 nan 0.000 0.535 713 I N -0.519 120.073 120.570 0.036 0.000 2.534 713 I HA 0.350 4.498 4.170 -0.037 0.000 0.288 713 I C -0.814 175.403 176.117 0.166 0.000 1.077 713 I CA -0.561 60.885 61.300 0.243 0.000 1.051 713 I CB 2.212 40.315 38.000 0.171 0.000 1.234 713 I HN -0.032 nan 8.210 nan 0.000 0.425 714 Q N 3.480 123.488 119.800 0.346 0.000 2.495 714 Q HA 0.822 5.140 4.340 -0.037 0.000 0.287 714 Q C -1.069 174.884 176.000 -0.079 0.000 1.078 714 Q CA -0.979 54.866 55.803 0.071 0.000 0.793 714 Q CB 3.212 31.993 28.738 0.071 0.000 1.459 714 Q HN 0.748 nan 8.270 nan 0.000 0.422 715 A N 1.154 123.745 122.820 -0.382 0.000 2.324 715 A HA 0.879 5.177 4.320 -0.037 0.000 0.330 715 A C -1.315 175.895 177.584 -0.623 0.000 1.165 715 A CA -0.200 51.680 52.037 -0.262 0.000 0.813 715 A CB 0.401 19.346 19.000 -0.092 0.000 1.197 715 A HN 0.509 nan 8.150 nan 0.000 0.484 716 F N -0.913 119.105 119.950 0.113 0.000 2.662 716 F HA 0.407 4.911 4.527 -0.038 0.000 0.312 716 F C -0.059 175.796 175.800 0.092 0.000 1.113 716 F CA -0.636 57.434 58.000 0.116 0.000 0.951 716 F CB 1.776 40.836 39.000 0.101 0.000 1.344 716 F HN 0.538 nan 8.300 nan 0.000 0.462 717 Q N 2.292 122.265 119.800 0.289 0.000 2.296 717 Q HA 0.380 4.697 4.340 -0.037 0.000 0.257 717 Q C -2.559 173.495 176.000 0.090 0.000 0.942 717 Q CA -1.890 53.992 55.803 0.132 0.000 0.939 717 Q CB 1.208 29.961 28.738 0.026 0.000 1.198 717 Q HN 0.113 nan 8.270 nan 0.000 0.429 718 P HA 0.021 nan 4.420 nan 0.000 0.272 718 P C -0.860 176.409 177.300 -0.052 0.000 1.230 718 P CA -0.179 62.901 63.100 -0.033 0.000 0.788 718 P CB 0.660 32.293 31.700 -0.111 0.000 0.949 719 V N 2.930 122.798 119.914 -0.076 0.000 2.538 719 V HA 0.137 4.235 4.120 -0.037 0.000 0.265 719 V C -0.091 175.935 176.094 -0.114 0.000 0.977 719 V CA -0.626 61.625 62.300 -0.081 0.000 0.852 719 V CB 0.515 32.297 31.823 -0.068 0.000 1.058 719 V HN 0.395 nan 8.190 nan 0.000 0.462 720 L N 4.534 125.679 121.223 -0.130 0.000 2.693 720 L HA 0.103 4.421 4.340 -0.037 0.000 0.292 720 L C 0.266 177.028 176.870 -0.180 0.000 1.243 720 L CA 1.079 55.819 54.840 -0.166 0.000 0.903 720 L CB 0.147 42.101 42.059 -0.174 0.000 1.160 720 L HN 0.617 nan 8.230 nan 0.000 0.496 721 V N -0.469 119.327 119.914 -0.197 0.000 3.049 721 V HA 0.631 4.729 4.120 -0.037 0.000 0.309 721 V C -0.248 175.714 176.094 -0.219 0.000 1.148 721 V CA -1.179 61.004 62.300 -0.195 0.000 0.990 721 V CB 1.870 33.594 31.823 -0.165 0.000 1.039 721 V HN 0.579 nan 8.190 nan 0.000 0.430 722 E N 1.257 121.329 120.200 -0.214 0.000 2.397 722 E HA 0.625 4.953 4.350 -0.037 0.000 0.254 722 E C 0.666 177.170 176.600 -0.160 0.000 1.231 722 E CA 1.069 57.345 56.400 -0.207 0.000 0.954 722 E CB 0.805 30.395 29.700 -0.184 0.000 1.024 722 E HN 1.769 nan 8.360 nan 0.000 0.481 723 G N 0.198 108.917 108.800 -0.135 0.000 2.660 723 G HA2 -0.277 3.661 3.960 -0.037 0.000 0.247 723 G HA3 -0.277 3.661 3.960 -0.037 0.000 0.247 723 G C 0.353 175.195 174.900 -0.097 0.000 1.328 723 G CA 0.335 45.370 45.100 -0.108 0.000 0.884 723 G HN 0.529 nan 8.290 nan 0.000 0.531 724 Q N -0.435 119.314 119.800 -0.084 0.000 2.287 724 Q HA 0.263 4.581 4.340 -0.037 0.000 0.201 724 Q C 1.932 177.885 176.000 -0.079 0.000 0.946 724 Q CA 1.159 56.920 55.803 -0.070 0.000 0.868 724 Q CB -0.086 28.618 28.738 -0.057 0.000 0.967 724 Q HN 1.202 nan 8.270 nan 0.000 0.516 725 S N 0.564 116.209 115.700 -0.091 0.000 2.573 725 S HA 0.236 4.684 4.470 -0.037 0.000 0.277 725 S C 0.161 174.690 174.600 -0.118 0.000 1.346 725 S CA -0.390 57.749 58.200 -0.103 0.000 1.034 725 S CB 0.527 63.653 63.200 -0.122 0.000 0.879 725 S HN 0.322 nan 8.310 nan 0.000 0.528 726 I N 1.626 122.125 120.570 -0.118 0.000 2.392 726 I HA 0.239 4.387 4.170 -0.037 0.000 0.295 726 I C 0.141 176.161 176.117 -0.162 0.000 0.985 726 I CA -0.611 60.608 61.300 -0.134 0.000 1.221 726 I CB 1.217 39.143 38.000 -0.124 0.000 1.366 726 I HN 0.613 nan 8.210 nan 0.000 0.467 727 Q N 6.154 125.846 119.800 -0.180 0.000 2.368 727 Q HA 0.537 4.854 4.340 -0.037 0.000 0.256 727 Q C -1.070 174.809 176.000 -0.202 0.000 0.980 727 Q CA -0.793 54.890 55.803 -0.200 0.000 0.887 727 Q CB 2.246 30.870 28.738 -0.191 0.000 1.221 727 Q HN 0.416 nan 8.270 nan 0.000 0.458 728 L N 1.854 122.979 121.223 -0.164 0.000 2.334 728 L HA 0.367 4.684 4.340 -0.037 0.000 0.272 728 L C -0.324 176.539 176.870 -0.012 0.000 1.020 728 L CA -0.686 54.066 54.840 -0.148 0.000 0.812 728 L CB 1.240 43.254 42.059 -0.076 0.000 1.264 728 L HN 0.630 nan 8.230 nan 0.000 0.439 729 H N 4.822 123.863 119.070 -0.048 0.000 2.652 729 H HA 0.264 4.797 4.556 -0.038 0.000 0.349 729 H C -2.029 173.407 175.328 0.180 0.000 1.099 729 H CA -1.758 54.345 56.048 0.091 0.000 1.417 729 H CB 1.662 31.514 29.762 0.151 0.000 1.457 729 H HN 0.472 nan 8.280 nan 0.000 0.568 730 P HA -0.103 nan 4.420 nan 0.000 0.219 730 P C 1.790 179.383 177.300 0.487 0.000 1.150 730 P CA 0.692 64.064 63.100 0.454 0.000 0.814 730 P CB 0.631 32.574 31.700 0.404 0.000 0.787 731 L N 0.346 121.943 121.223 0.624 0.000 2.017 731 L HA -0.116 4.202 4.340 -0.037 0.000 0.208 731 L C 2.601 179.597 176.870 0.209 0.000 1.073 731 L CA 1.767 56.759 54.840 0.253 0.000 0.745 731 L CB -1.297 40.771 42.059 0.015 0.000 0.894 731 L HN -0.088 nan 8.230 nan 0.000 0.432 732 V N -4.499 115.570 119.914 0.259 0.000 3.444 732 V HA -0.137 3.961 4.120 -0.037 0.000 0.271 732 V C 2.028 178.372 176.094 0.417 0.000 1.188 732 V CA 0.779 63.280 62.300 0.335 0.000 1.168 732 V CB -1.278 30.876 31.823 0.553 0.000 0.810 732 V HN 0.455 nan 8.190 nan 0.000 0.500 733 C N 0.445 119.928 119.300 0.305 0.000 2.466 733 C HA 0.012 4.450 4.460 -0.037 0.000 0.283 733 C C 2.464 177.556 174.990 0.169 0.000 1.472 733 C CA 1.283 60.423 59.018 0.203 0.000 1.765 733 C CB -1.203 26.585 27.740 0.080 0.000 1.724 733 C HN 0.827 nan 8.230 nan 0.000 0.560 734 E N 1.725 122.028 120.200 0.170 0.000 2.042 734 E HA 0.008 4.335 4.350 -0.037 0.000 0.189 734 E C 2.200 178.870 176.600 0.118 0.000 0.974 734 E CA 1.391 57.858 56.400 0.112 0.000 0.806 734 E CB -0.373 29.375 29.700 0.081 0.000 0.769 734 E HN 0.395 nan 8.360 nan 0.000 0.451 735 A N 0.416 123.297 122.820 0.102 0.000 1.859 735 A HA -0.123 4.175 4.320 -0.037 0.000 0.218 735 A C 0.582 178.189 177.584 0.038 0.000 1.209 735 A CA 1.441 53.492 52.037 0.024 0.000 0.639 735 A CB -1.125 17.764 19.000 -0.185 0.000 0.835 735 A HN 0.300 nan 8.150 nan 0.000 0.450 736 F N 0.177 120.193 119.950 0.111 0.000 2.467 736 F HA 0.283 4.788 4.527 -0.038 0.000 0.362 736 F C 0.706 176.505 175.800 -0.002 0.000 1.090 736 F CA -0.942 57.082 58.000 0.041 0.000 1.202 736 F CB -0.153 38.867 39.000 0.033 0.000 1.113 736 F HN 0.136 nan 8.300 nan 0.000 0.541 737 N N 3.029 121.808 118.700 0.132 0.000 2.744 737 N HA 0.310 5.028 4.740 -0.037 0.000 0.290 737 N C -1.015 174.505 175.510 0.017 0.000 1.206 737 N CA 0.025 53.109 53.050 0.056 0.000 1.119 737 N CB -0.222 38.276 38.487 0.018 0.000 1.449 737 N HN 0.673 nan 8.380 nan 0.000 0.514 738 A N 2.278 125.085 122.820 -0.021 0.000 2.343 738 A HA 0.503 4.800 4.320 -0.037 0.000 0.308 738 A C -0.511 176.865 177.584 -0.347 0.000 1.092 738 A CA -0.906 51.035 52.037 -0.160 0.000 0.751 738 A CB 0.860 19.747 19.000 -0.188 0.000 1.203 738 A HN 0.610 nan 8.150 nan 0.000 0.452 739 D N 0.246 120.449 120.400 -0.329 0.000 2.567 739 D HA 0.510 5.128 4.640 -0.037 0.000 0.275 739 D C -0.484 175.500 176.300 -0.527 0.000 1.195 739 D CA -0.693 53.075 54.000 -0.387 0.000 1.087 739 D CB 0.268 40.979 40.800 -0.148 0.000 1.165 739 D HN 0.320 nan 8.370 nan 0.000 0.609 740 F N -0.485 119.448 119.950 -0.028 0.000 2.841 740 F HA 0.161 4.665 4.527 -0.038 0.000 0.358 740 F C 0.321 176.096 175.800 -0.042 0.000 1.261 740 F CA -0.697 57.277 58.000 -0.044 0.000 1.233 740 F CB 0.633 39.600 39.000 -0.055 0.000 1.008 740 F HN 0.143 nan 8.300 nan 0.000 0.507 741 D N -0.603 119.854 120.400 0.095 0.000 2.336 741 D HA 0.238 4.856 4.640 -0.037 0.000 0.228 741 D C 1.586 177.909 176.300 0.037 0.000 1.120 741 D CA 0.498 54.529 54.000 0.050 0.000 0.839 741 D CB 0.531 41.341 40.800 0.017 0.000 0.932 741 D HN 0.446 nan 8.370 nan 0.000 0.509 742 G N 0.410 109.245 108.800 0.059 0.000 2.227 742 G HA2 -0.210 3.728 3.960 -0.037 0.000 0.168 742 G HA3 -0.210 3.728 3.960 -0.037 0.000 0.168 742 G C -0.452 174.464 174.900 0.026 0.000 1.006 742 G CA -0.531 44.590 45.100 0.036 0.000 0.684 742 G HN 0.266 nan 8.290 nan 0.000 0.489 743 D N 1.632 122.044 120.400 0.020 0.000 2.531 743 D HA 0.306 4.924 4.640 -0.037 0.000 0.239 743 D C 0.691 176.991 176.300 0.001 0.000 1.144 743 D CA 0.926 54.923 54.000 -0.006 0.000 0.869 743 D CB 0.527 41.299 40.800 -0.047 0.000 1.160 743 D HN 0.454 nan 8.370 nan 0.000 0.484 744 Q N 1.949 121.744 119.800 -0.010 0.000 2.307 744 Q HA 0.431 4.749 4.340 -0.037 0.000 0.262 744 Q C -0.035 175.946 176.000 -0.031 0.000 0.961 744 Q CA -0.476 55.317 55.803 -0.017 0.000 0.882 744 Q CB 1.815 30.545 28.738 -0.014 0.000 1.264 744 Q HN 0.355 nan 8.270 nan 0.000 0.446 745 M N 1.034 120.601 119.600 -0.055 0.000 2.471 745 M HA 0.652 5.110 4.480 -0.037 0.000 0.309 745 M C -0.236 176.024 176.300 -0.066 0.000 1.186 745 M CA -0.500 54.755 55.300 -0.075 0.000 1.008 745 M CB 1.531 34.042 32.600 -0.148 0.000 1.551 745 M HN 0.683 nan 8.290 nan 0.000 0.477 746 A N 0.841 123.622 122.820 -0.065 0.000 2.312 746 A HA 0.931 5.229 4.320 -0.037 0.000 0.310 746 A C -1.315 176.171 177.584 -0.164 0.000 1.139 746 A CA -0.742 51.228 52.037 -0.112 0.000 0.886 746 A CB 1.791 20.729 19.000 -0.104 0.000 1.350 746 A HN 0.642 nan 8.150 nan 0.000 0.479 747 V N 0.386 120.118 119.914 -0.305 0.000 2.924 747 V HA 0.528 4.625 4.120 -0.037 0.000 0.300 747 V C -1.779 174.093 176.094 -0.370 0.000 1.227 747 V CA -0.637 61.523 62.300 -0.234 0.000 0.954 747 V CB 1.870 33.661 31.823 -0.055 0.000 1.055 747 V HN 1.042 nan 8.190 nan 0.000 0.429 748 H N 3.819 122.971 119.070 0.137 0.000 2.797 748 H HA 0.770 5.304 4.556 -0.037 0.000 0.362 748 H C -1.014 174.398 175.328 0.141 0.000 1.183 748 H CA -0.568 55.561 56.048 0.135 0.000 1.197 748 H CB 2.297 32.123 29.762 0.105 0.000 1.835 748 H HN 0.526 nan 8.280 nan 0.000 0.567 749 V N 2.927 122.984 119.914 0.239 0.000 2.444 749 V HA 0.246 4.344 4.120 -0.037 0.000 0.294 749 V C -2.179 173.883 176.094 -0.053 0.000 1.022 749 V CA -1.618 60.721 62.300 0.065 0.000 0.850 749 V CB 1.583 33.348 31.823 -0.096 0.000 0.992 749 V HN 0.589 nan 8.190 nan 0.000 0.426 750 P HA 0.390 nan 4.420 nan 0.000 0.287 750 P C 0.212 177.420 177.300 -0.154 0.000 1.294 750 P CA -0.256 62.804 63.100 -0.068 0.000 0.776 750 P CB 1.980 33.674 31.700 -0.011 0.000 0.889 751 L N 1.818 122.945 121.223 -0.160 0.000 2.115 751 L HA 0.046 4.363 4.340 -0.037 0.000 0.200 751 L C 1.533 178.409 176.870 0.010 0.000 1.094 751 L CA 0.591 55.357 54.840 -0.123 0.000 0.769 751 L CB -0.949 40.996 42.059 -0.190 0.000 0.931 751 L HN 0.366 nan 8.230 nan 0.000 0.455 752 S N -0.090 115.618 115.700 0.014 0.000 2.558 752 S HA -0.087 4.361 4.470 -0.037 0.000 0.293 752 S C 1.426 176.084 174.600 0.096 0.000 1.292 752 S CA -0.071 58.168 58.200 0.066 0.000 1.063 752 S CB 0.800 64.043 63.200 0.072 0.000 0.831 752 S HN 0.243 nan 8.310 nan 0.000 0.499 753 S N 4.046 119.816 115.700 0.116 0.000 2.420 753 S HA -0.112 4.335 4.470 -0.037 0.000 0.237 753 S C 1.205 175.870 174.600 0.109 0.000 1.023 753 S CA 1.309 59.571 58.200 0.104 0.000 0.991 753 S CB -0.431 62.835 63.200 0.109 0.000 0.792 753 S HN 0.763 nan 8.310 nan 0.000 0.488 754 F N 1.938 121.882 119.950 -0.011 0.000 2.098 754 F HA 0.023 4.528 4.527 -0.037 0.000 0.294 754 F C 2.464 178.253 175.800 -0.019 0.000 1.107 754 F CA 0.829 58.819 58.000 -0.017 0.000 1.234 754 F CB -0.903 38.081 39.000 -0.025 0.000 1.002 754 F HN 0.167 nan 8.300 nan 0.000 0.472 755 A N -0.403 122.521 122.820 0.174 0.000 1.917 755 A HA -0.337 3.961 4.320 -0.037 0.000 0.219 755 A C 2.055 179.643 177.584 0.006 0.000 1.182 755 A CA 2.170 54.251 52.037 0.073 0.000 0.633 755 A CB -1.083 17.945 19.000 0.047 0.000 0.819 755 A HN 0.495 nan 8.150 nan 0.000 0.448 756 Q N -0.221 119.577 119.800 -0.002 0.000 2.124 756 Q HA -0.019 4.298 4.340 -0.037 0.000 0.202 756 Q C 2.008 177.979 176.000 -0.049 0.000 0.977 756 Q CA 2.136 57.928 55.803 -0.018 0.000 0.850 756 Q CB -0.617 28.113 28.738 -0.014 0.000 0.901 756 Q HN 0.567 nan 8.270 nan 0.000 0.429 757 A N 1.279 124.038 122.820 -0.101 0.000 1.841 757 A HA -0.306 3.992 4.320 -0.037 0.000 0.216 757 A C 1.974 179.457 177.584 -0.168 0.000 1.199 757 A CA 2.127 54.059 52.037 -0.175 0.000 0.621 757 A CB -1.098 17.692 19.000 -0.351 0.000 0.835 757 A HN 0.718 nan 8.150 nan 0.000 0.445 758 E N 0.106 120.191 120.200 -0.192 0.000 2.058 758 E HA -0.136 4.192 4.350 -0.037 0.000 0.194 758 E C 2.134 178.692 176.600 -0.068 0.000 0.997 758 E CA 1.308 57.630 56.400 -0.130 0.000 0.801 758 E CB -0.668 28.978 29.700 -0.090 0.000 0.746 758 E HN 0.508 nan 8.360 nan 0.000 0.450 759 A N 2.726 125.522 122.820 -0.040 0.000 1.869 759 A HA -0.284 4.013 4.320 -0.037 0.000 0.218 759 A C 2.387 179.967 177.584 -0.008 0.000 1.203 759 A CA 2.657 54.688 52.037 -0.010 0.000 0.638 759 A CB -0.857 18.149 19.000 0.010 0.000 0.831 759 A HN 0.479 nan 8.150 nan 0.000 0.450 760 R N -0.899 119.600 120.500 -0.001 0.000 2.297 760 R HA 0.311 4.629 4.340 -0.037 0.000 0.197 760 R C 1.540 177.870 176.300 0.050 0.000 0.943 760 R CA 0.984 57.103 56.100 0.032 0.000 1.038 760 R CB -0.344 29.986 30.300 0.050 0.000 0.957 760 R HN 0.524 nan 8.270 nan 0.000 0.484 761 I N 1.460 122.016 120.570 -0.023 0.000 2.499 761 I HA -0.143 4.005 4.170 -0.037 0.000 0.243 761 I C 1.871 177.919 176.117 -0.116 0.000 1.085 761 I CA 0.921 62.164 61.300 -0.095 0.000 1.422 761 I CB 0.110 38.028 38.000 -0.136 0.000 1.165 761 I HN 0.209 nan 8.210 nan 0.000 0.440 762 Q N -0.351 119.400 119.800 -0.081 0.000 2.247 762 Q HA 0.233 4.551 4.340 -0.037 0.000 0.211 762 Q C 1.367 177.345 176.000 -0.038 0.000 0.861 762 Q CA 0.128 55.890 55.803 -0.068 0.000 0.949 762 Q CB 0.766 29.460 28.738 -0.074 0.000 1.115 762 Q HN 0.423 nan 8.270 nan 0.000 0.507 763 M N 0.314 119.898 119.600 -0.028 0.000 2.268 763 M HA 0.288 4.745 4.480 -0.037 0.000 0.355 763 M C -0.635 175.623 176.300 -0.071 0.000 0.938 763 M CA -0.424 54.855 55.300 -0.036 0.000 1.025 763 M CB 1.088 33.675 32.600 -0.021 0.000 1.773 763 M HN 0.257 nan 8.290 nan 0.000 0.613 764 L N 0.400 121.593 121.223 -0.049 0.000 2.476 764 L HA 0.151 4.468 4.340 -0.037 0.000 0.264 764 L C 1.453 178.182 176.870 -0.235 0.000 1.224 764 L CA 0.900 55.657 54.840 -0.138 0.000 0.821 764 L CB 1.080 43.112 42.059 -0.046 0.000 1.101 764 L HN 0.390 nan 8.230 nan 0.000 0.488 765 S N 1.830 117.273 115.700 -0.428 0.000 2.357 765 S HA -0.050 4.398 4.470 -0.037 0.000 0.221 765 S C 1.622 176.076 174.600 -0.244 0.000 1.031 765 S CA 0.507 58.484 58.200 -0.373 0.000 0.982 765 S CB -0.771 62.115 63.200 -0.524 0.000 0.853 765 S HN 0.769 nan 8.310 nan 0.000 0.458 766 A N 0.855 123.479 122.820 -0.327 0.000 2.216 766 A HA 0.025 4.323 4.320 -0.037 0.000 0.214 766 A C 1.775 179.171 177.584 -0.312 0.000 1.160 766 A CA 0.899 52.736 52.037 -0.333 0.000 0.725 766 A CB -0.746 17.971 19.000 -0.472 0.000 0.784 766 A HN 0.699 nan 8.150 nan 0.000 0.472 767 H N -0.514 118.482 119.070 -0.123 0.000 2.592 767 H HA 0.114 4.648 4.556 -0.037 0.000 0.265 767 H C -0.102 175.203 175.328 -0.038 0.000 0.955 767 H CA 0.294 56.302 56.048 -0.067 0.000 1.175 767 H CB 0.088 29.799 29.762 -0.085 0.000 1.433 767 H HN 0.617 nan 8.280 nan 0.000 0.537 768 N N 1.465 120.174 118.700 0.015 0.000 3.112 768 N HA 0.170 4.888 4.740 -0.037 0.000 0.270 768 N C 0.680 176.141 175.510 -0.082 0.000 1.385 768 N CA -0.110 52.919 53.050 -0.034 0.000 0.986 768 N CB 1.158 39.606 38.487 -0.065 0.000 1.261 768 N HN 0.040 nan 8.380 nan 0.000 0.495 769 L N 0.054 121.227 121.223 -0.084 0.000 2.068 769 L HA 0.107 4.424 4.340 -0.037 0.000 0.204 769 L C 0.762 177.506 176.870 -0.210 0.000 1.076 769 L CA 0.685 55.445 54.840 -0.134 0.000 0.753 769 L CB -0.280 41.709 42.059 -0.118 0.000 0.910 769 L HN 0.303 nan 8.230 nan 0.000 0.439 770 L N -0.365 120.673 121.223 -0.309 0.000 2.417 770 L HA 0.223 4.540 4.340 -0.037 0.000 0.268 770 L C 0.580 177.321 176.870 -0.216 0.000 1.158 770 L CA -0.160 54.492 54.840 -0.314 0.000 0.819 770 L CB 0.615 42.411 42.059 -0.438 0.000 1.112 770 L HN -0.014 nan 8.230 nan 0.000 0.458 771 S N 1.442 117.029 115.700 -0.188 0.000 2.565 771 S HA 0.313 4.761 4.470 -0.037 0.000 0.274 771 S C -1.715 172.812 174.600 -0.122 0.000 1.309 771 S CA -1.202 56.894 58.200 -0.173 0.000 1.043 771 S CB 1.298 64.402 63.200 -0.160 0.000 0.939 771 S HN 0.428 nan 8.310 nan 0.000 0.504 772 P HA 0.117 nan 4.420 nan 0.000 0.225 772 P C 0.924 178.253 177.300 0.049 0.000 1.156 772 P CA 0.805 63.881 63.100 -0.039 0.000 0.787 772 P CB 0.085 31.738 31.700 -0.077 0.000 0.802 773 A N -0.210 122.594 122.820 -0.026 0.000 1.823 773 A HA 0.024 4.322 4.320 -0.037 0.000 0.214 773 A C 1.174 178.849 177.584 0.151 0.000 1.225 773 A CA 1.514 53.576 52.037 0.043 0.000 0.604 773 A CB -1.112 17.875 19.000 -0.021 0.000 0.878 773 A HN 0.293 nan 8.150 nan 0.000 0.450 774 S N -2.008 113.730 115.700 0.065 0.000 2.537 774 S HA 0.534 4.981 4.470 -0.037 0.000 0.301 774 S C 0.979 175.609 174.600 0.050 0.000 1.092 774 S CA -0.063 58.187 58.200 0.083 0.000 1.048 774 S CB 1.453 64.670 63.200 0.027 0.000 1.053 774 S HN 0.811 nan 8.310 nan 0.000 0.501 775 G N 0.599 109.501 108.800 0.170 0.000 2.527 775 G HA2 -0.049 3.889 3.960 -0.037 0.000 0.219 775 G HA3 -0.049 3.889 3.960 -0.037 0.000 0.219 775 G C 0.374 175.191 174.900 -0.139 0.000 1.117 775 G CA 0.160 45.340 45.100 0.133 0.000 0.759 775 G HN 0.822 nan 8.290 nan 0.000 0.556 776 E N 0.782 120.903 120.200 -0.133 0.000 2.459 776 E HA 0.057 4.384 4.350 -0.037 0.000 0.264 776 E C -2.325 174.167 176.600 -0.180 0.000 1.055 776 E CA -1.192 55.100 56.400 -0.181 0.000 0.957 776 E CB 0.241 29.880 29.700 -0.101 0.000 0.952 776 E HN 0.103 nan 8.360 nan 0.000 0.448 777 P HA -0.049 nan 4.420 nan 0.000 0.271 777 P C -0.119 177.121 177.300 -0.100 0.000 1.220 777 P CA 0.060 63.080 63.100 -0.134 0.000 0.768 777 P CB 0.622 32.282 31.700 -0.067 0.000 0.848 778 L N 4.318 125.473 121.223 -0.115 0.000 2.298 778 L HA 0.316 4.633 4.340 -0.037 0.000 0.209 778 L C 0.809 177.651 176.870 -0.047 0.000 1.084 778 L CA 1.135 55.920 54.840 -0.091 0.000 0.816 778 L CB -0.510 41.470 42.059 -0.133 0.000 0.967 778 L HN 0.268 nan 8.230 nan 0.000 0.460 779 A N 1.667 124.459 122.820 -0.046 0.000 2.736 779 A HA 0.487 4.785 4.320 -0.037 0.000 0.335 779 A C -0.183 177.402 177.584 0.001 0.000 1.446 779 A CA -0.597 51.433 52.037 -0.012 0.000 1.028 779 A CB -0.481 18.502 19.000 -0.027 0.000 1.154 779 A HN 0.343 nan 8.150 nan 0.000 0.507 780 K N 1.140 121.552 120.400 0.021 0.000 2.395 780 K HA 0.687 4.984 4.320 -0.037 0.000 0.245 780 K C -3.172 173.458 176.600 0.050 0.000 1.017 780 K CA -2.211 54.096 56.287 0.033 0.000 0.852 780 K CB 1.261 33.777 32.500 0.027 0.000 1.311 780 K HN 0.071 nan 8.250 nan 0.000 0.452 781 P HA 0.023 nan 4.420 nan 0.000 0.257 781 P C -0.395 176.942 177.300 0.062 0.000 1.189 781 P CA 0.415 63.546 63.100 0.052 0.000 0.780 781 P CB 0.793 32.527 31.700 0.056 0.000 0.772 782 S N 3.303 119.053 115.700 0.084 0.000 2.211 782 S HA 0.065 4.512 4.470 -0.037 0.000 0.158 782 S C 1.747 176.398 174.600 0.085 0.000 1.361 782 S CA 0.246 58.499 58.200 0.088 0.000 2.285 782 S CB 0.029 63.300 63.200 0.117 0.000 0.432 782 S HN 0.393 nan 8.310 nan 0.000 0.351 783 R N 1.266 121.832 120.500 0.110 0.000 2.043 783 R HA 0.116 4.433 4.340 -0.037 0.000 0.221 783 R C 2.059 178.431 176.300 0.121 0.000 1.196 783 R CA 0.923 57.078 56.100 0.092 0.000 0.949 783 R CB -1.469 28.881 30.300 0.084 0.000 0.838 783 R HN 0.524 nan 8.270 nan 0.000 0.446 784 D N 0.966 121.488 120.400 0.204 0.000 2.077 784 D HA -0.117 4.501 4.640 -0.037 0.000 0.193 784 D C 2.129 178.570 176.300 0.236 0.000 0.989 784 D CA 1.232 55.385 54.000 0.256 0.000 0.831 784 D CB -0.072 40.974 40.800 0.410 0.000 0.979 784 D HN 0.009 nan 8.370 nan 0.000 0.449 785 I N 1.351 122.033 120.570 0.187 0.000 2.121 785 I HA -0.354 3.794 4.170 -0.037 0.000 0.243 785 I C 2.625 178.803 176.117 0.101 0.000 1.047 785 I CA 1.170 62.475 61.300 0.009 0.000 1.308 785 I CB -0.377 37.538 38.000 -0.143 0.000 1.015 785 I HN 0.142 nan 8.210 nan 0.000 0.410 786 I N -0.453 120.175 120.570 0.097 0.000 2.052 786 I HA -0.354 3.794 4.170 -0.037 0.000 0.235 786 I C 2.535 178.738 176.117 0.144 0.000 1.046 786 I CA 1.565 62.926 61.300 0.102 0.000 1.308 786 I CB -0.571 37.459 38.000 0.052 0.000 1.031 786 I HN 0.257 nan 8.210 nan 0.000 0.395 787 L N 1.321 122.608 121.223 0.106 0.000 2.085 787 L HA -0.239 4.079 4.340 -0.037 0.000 0.218 787 L C 2.145 179.154 176.870 0.232 0.000 1.080 787 L CA 2.497 57.407 54.840 0.117 0.000 0.776 787 L CB -1.329 40.779 42.059 0.081 0.000 0.891 787 L HN 0.317 nan 8.230 nan 0.000 0.437 788 G N -0.807 108.142 108.800 0.248 0.000 2.556 788 G HA2 -0.229 3.708 3.960 -0.037 0.000 0.215 788 G HA3 -0.229 3.708 3.960 -0.037 0.000 0.215 788 G C 1.548 176.681 174.900 0.389 0.000 1.258 788 G CA 0.749 46.055 45.100 0.344 0.000 0.811 788 G HN 0.426 nan 8.290 nan 0.000 0.557 789 L N -0.534 120.887 121.223 0.330 0.000 2.270 789 L HA -0.186 4.131 4.340 -0.037 0.000 0.217 789 L C 2.523 179.448 176.870 0.092 0.000 1.107 789 L CA 1.240 56.235 54.840 0.258 0.000 0.772 789 L CB -0.302 41.873 42.059 0.195 0.000 0.902 789 L HN 0.410 nan 8.230 nan 0.000 0.439 790 Y N -1.063 119.249 120.300 0.020 0.000 2.201 790 Y HA -0.273 4.264 4.550 -0.021 0.000 0.292 790 Y C 2.573 178.441 175.900 -0.054 0.000 1.119 790 Y CA 1.272 59.334 58.100 -0.064 0.000 1.127 790 Y CB -0.530 37.896 38.460 -0.058 0.000 1.019 790 Y HN 0.051 nan 8.280 nan 0.000 0.514 791 Y N 0.900 121.299 120.300 0.166 0.000 2.139 791 Y HA -0.343 4.206 4.550 -0.001 0.000 0.282 791 Y C 2.472 178.357 175.900 -0.026 0.000 1.179 791 Y CA 2.143 60.291 58.100 0.080 0.000 1.161 791 Y CB -0.598 37.946 38.460 0.140 0.000 0.970 791 Y HN 0.380 nan 8.280 nan 0.000 0.511 792 I N -0.318 120.237 120.570 -0.026 0.000 2.202 792 I HA -0.160 3.988 4.170 -0.037 0.000 0.242 792 I C 0.693 176.661 176.117 -0.249 0.000 1.091 792 I CA 1.815 62.989 61.300 -0.209 0.000 1.368 792 I CB -0.450 37.351 38.000 -0.331 0.000 1.058 792 I HN 0.381 nan 8.210 nan 0.000 0.410 793 T N 0.884 115.270 114.554 -0.279 0.000 3.151 793 T HA 0.413 4.740 4.350 -0.037 0.000 0.332 793 T C -0.266 174.192 174.700 -0.403 0.000 1.245 793 T CA -0.544 61.370 62.100 -0.309 0.000 1.019 793 T CB 0.806 69.436 68.868 -0.396 0.000 1.109 793 T HN 0.344 nan 8.240 nan 0.000 0.621 794 Q N 1.762 121.384 119.800 -0.297 0.000 2.578 794 Q HA 0.488 4.806 4.340 -0.037 0.000 0.284 794 Q C -1.823 174.149 176.000 -0.048 0.000 0.960 794 Q CA -0.654 54.990 55.803 -0.264 0.000 0.809 794 Q CB 2.854 31.337 28.738 -0.425 0.000 1.462 794 Q HN 0.550 nan 8.270 nan 0.000 0.392 795 V N 2.562 122.495 119.914 0.031 0.000 2.680 795 V HA 0.637 4.735 4.120 -0.037 0.000 0.309 795 V C 0.090 176.290 176.094 0.177 0.000 1.052 795 V CA -0.850 61.495 62.300 0.076 0.000 0.908 795 V CB 1.889 33.732 31.823 0.033 0.000 1.001 795 V HN 0.738 nan 8.190 nan 0.000 0.431 796 R N 2.721 123.269 120.500 0.081 0.000 2.691 796 R HA 0.822 5.139 4.340 -0.037 0.000 0.259 796 R C -1.249 175.069 176.300 0.029 0.000 1.048 796 R CA -0.948 55.171 56.100 0.030 0.000 1.086 796 R CB 1.655 31.833 30.300 -0.203 0.000 1.166 796 R HN 0.635 nan 8.270 nan 0.000 0.526 797 K N -0.038 120.380 120.400 0.030 0.000 2.502 797 K HA 0.324 4.622 4.320 -0.037 0.000 0.257 797 K C -1.200 175.407 176.600 0.012 0.000 0.938 797 K CA -0.647 55.656 56.287 0.026 0.000 0.819 797 K CB 2.902 35.432 32.500 0.049 0.000 1.333 797 K HN 0.683 nan 8.250 nan 0.000 0.434 798 E N 1.035 121.239 120.200 0.005 0.000 2.442 798 E HA 0.196 4.524 4.350 -0.037 0.000 0.261 798 E C -1.272 175.330 176.600 0.004 0.000 0.935 798 E CA -1.008 55.394 56.400 0.003 0.000 0.856 798 E CB 1.318 31.015 29.700 -0.004 0.000 1.571 798 E HN 0.509 nan 8.360 nan 0.000 0.431 799 K N 1.673 122.075 120.400 0.004 0.000 2.547 799 K HA -0.158 4.140 4.320 -0.037 0.000 0.275 799 K C -0.501 176.101 176.600 0.003 0.000 1.001 799 K CA 0.868 57.158 56.287 0.004 0.000 1.111 799 K CB 0.346 32.850 32.500 0.007 0.000 0.832 799 K HN 0.281 nan 8.250 nan 0.000 0.485 800 K N 4.174 124.575 120.400 0.002 0.000 2.800 800 K HA 0.105 4.403 4.320 -0.037 0.000 0.185 800 K C 0.641 177.245 176.600 0.006 0.000 1.082 800 K CA -0.248 56.039 56.287 0.000 0.000 0.978 800 K CB 0.503 33.001 32.500 -0.003 0.000 1.364 800 K HN 0.909 nan 8.250 nan 0.000 0.592 801 G N 1.563 110.371 108.800 0.013 0.000 2.813 801 G HA2 -0.110 3.828 3.960 -0.037 0.000 0.208 801 G HA3 -0.110 3.828 3.960 -0.037 0.000 0.208 801 G C 0.380 175.299 174.900 0.031 0.000 1.395 801 G CA 0.519 45.631 45.100 0.021 0.000 0.849 801 G HN 0.578 nan 8.290 nan 0.000 0.617 802 A N -0.095 122.757 122.820 0.053 0.000 2.507 802 A HA 0.484 4.782 4.320 -0.037 0.000 0.235 802 A C 1.115 178.738 177.584 0.065 0.000 1.070 802 A CA 0.446 52.537 52.037 0.089 0.000 0.768 802 A CB -0.061 19.041 19.000 0.170 0.000 1.011 802 A HN 1.146 nan 8.150 nan 0.000 0.502 803 G N 1.238 110.086 108.800 0.079 0.000 2.778 803 G HA2 0.453 4.391 3.960 -0.037 0.000 0.287 803 G HA3 0.453 4.391 3.960 -0.037 0.000 0.287 803 G C -0.002 174.886 174.900 -0.021 0.000 0.747 803 G CA -0.159 44.962 45.100 0.035 0.000 1.961 803 G HN 1.193 nan 8.290 nan 0.000 0.539 804 L N -0.141 120.977 121.223 -0.175 0.000 2.282 804 L HA 0.597 4.915 4.340 -0.037 0.000 0.287 804 L C -0.067 176.690 176.870 -0.188 0.000 1.075 804 L CA -0.367 54.192 54.840 -0.467 0.000 0.839 804 L CB 1.023 42.718 42.059 -0.607 0.000 1.219 804 L HN 0.067 nan 8.230 nan 0.000 0.434 805 E N 3.543 123.686 120.200 -0.095 0.000 3.646 805 E HA 0.037 4.365 4.350 -0.037 0.000 0.211 805 E C 0.669 177.276 176.600 0.012 0.000 1.034 805 E CA -0.181 56.206 56.400 -0.022 0.000 1.341 805 E CB 0.196 29.886 29.700 -0.016 0.000 1.202 805 E HN 0.775 nan 8.360 nan 0.000 0.447 806 F N 2.789 122.694 119.950 -0.074 0.000 2.135 806 F HA -0.363 4.142 4.527 -0.036 0.000 0.300 806 F C 1.959 177.760 175.800 0.002 0.000 1.074 806 F CA 1.909 59.903 58.000 -0.009 0.000 1.262 806 F CB -0.253 38.736 39.000 -0.018 0.000 1.013 806 F HN 0.259 nan 8.300 nan 0.000 0.489 807 A N -0.890 121.672 122.820 -0.430 0.000 2.156 807 A HA -0.366 3.932 4.320 -0.037 0.000 0.226 807 A C 2.031 179.298 177.584 -0.527 0.000 1.199 807 A CA 2.850 54.605 52.037 -0.469 0.000 0.689 807 A CB -1.357 17.531 19.000 -0.186 0.000 0.823 807 A HN 0.614 nan 8.150 nan 0.000 0.495 808 T N -2.557 111.720 114.554 -0.461 0.000 3.232 808 T HA 0.212 4.539 4.350 -0.037 0.000 0.259 808 T C -1.891 172.662 174.700 -0.244 0.000 0.987 808 T CA 0.202 62.123 62.100 -0.299 0.000 1.096 808 T CB -0.521 68.257 68.868 -0.150 0.000 1.131 808 T HN 0.338 nan 8.240 nan 0.000 0.445 809 P HA 0.429 nan 4.420 nan 0.000 0.277 809 P C 0.104 177.485 177.300 0.135 0.000 1.240 809 P CA -0.148 62.955 63.100 0.004 0.000 0.798 809 P CB 1.017 32.755 31.700 0.062 0.000 0.979 810 E N 0.412 120.693 120.200 0.135 0.000 2.318 810 E HA -0.087 4.241 4.350 -0.037 0.000 0.193 810 E C 0.947 177.639 176.600 0.154 0.000 0.998 810 E CA 0.657 57.170 56.400 0.189 0.000 0.859 810 E CB 0.120 29.881 29.700 0.100 0.000 0.812 810 E HN 0.588 nan 8.360 nan 0.000 0.492 811 E N 0.541 120.808 120.200 0.113 0.000 2.371 811 E HA 0.005 4.333 4.350 -0.037 0.000 0.194 811 E C 1.773 178.427 176.600 0.090 0.000 1.012 811 E CA 0.441 56.880 56.400 0.065 0.000 0.860 811 E CB 0.212 29.931 29.700 0.031 0.000 0.811 811 E HN 0.154 nan 8.360 nan 0.000 0.502 812 A N 1.025 123.979 122.820 0.223 0.000 2.067 812 A HA -0.056 4.242 4.320 -0.037 0.000 0.217 812 A C 2.131 179.966 177.584 0.418 0.000 1.156 812 A CA 0.620 52.901 52.037 0.407 0.000 0.683 812 A CB -0.240 19.061 19.000 0.502 0.000 0.808 812 A HN 0.255 nan 8.150 nan 0.000 0.455 813 L N -2.329 119.052 121.223 0.263 0.000 2.145 813 L HA 0.403 4.721 4.340 -0.037 0.000 0.201 813 L C 2.311 179.112 176.870 -0.114 0.000 1.075 813 L CA 1.793 56.517 54.840 -0.194 0.000 0.773 813 L CB -1.289 40.662 42.059 -0.179 0.000 0.936 813 L HN 0.091 nan 8.230 nan 0.000 0.451 814 A N 0.756 123.557 122.820 -0.031 0.000 1.835 814 A HA 0.032 4.330 4.320 -0.037 0.000 0.215 814 A C 2.537 180.086 177.584 -0.058 0.000 1.199 814 A CA 2.379 54.388 52.037 -0.047 0.000 0.615 814 A CB -1.451 17.535 19.000 -0.024 0.000 0.838 814 A HN 0.625 nan 8.150 nan 0.000 0.444 815 A N -1.253 121.525 122.820 -0.071 0.000 1.865 815 A HA -0.235 4.063 4.320 -0.037 0.000 0.217 815 A C 2.028 179.533 177.584 -0.133 0.000 1.191 815 A CA 1.767 53.726 52.037 -0.130 0.000 0.623 815 A CB -1.113 17.759 19.000 -0.213 0.000 0.826 815 A HN 0.662 nan 8.150 nan 0.000 0.444 816 H N -0.891 118.164 119.070 -0.026 0.000 2.545 816 H HA -0.031 4.503 4.556 -0.036 0.000 0.282 816 H C 1.876 177.156 175.328 -0.080 0.000 1.020 816 H CA 1.360 57.385 56.048 -0.037 0.000 1.243 816 H CB 0.055 29.808 29.762 -0.015 0.000 1.377 816 H HN 0.776 nan 8.280 nan 0.000 0.581 817 E N 0.769 120.959 120.200 -0.016 0.000 2.190 817 E HA -0.043 4.284 4.350 -0.037 0.000 0.191 817 E C 1.897 178.463 176.600 -0.057 0.000 0.978 817 E CA 0.008 56.363 56.400 -0.075 0.000 0.839 817 E CB 0.384 30.007 29.700 -0.128 0.000 0.787 817 E HN 0.373 nan 8.360 nan 0.000 0.473 818 R N -0.379 120.094 120.500 -0.046 0.000 2.075 818 R HA 0.032 4.350 4.340 -0.037 0.000 0.226 818 R C 2.465 178.752 176.300 -0.021 0.000 1.114 818 R CA 0.942 57.018 56.100 -0.039 0.000 0.972 818 R CB -0.357 29.918 30.300 -0.043 0.000 0.869 818 R HN 0.121 nan 8.270 nan 0.000 0.437 819 G N 1.511 110.305 108.800 -0.010 0.000 2.462 819 G HA2 -0.295 3.643 3.960 -0.037 0.000 0.220 819 G HA3 -0.295 3.643 3.960 -0.037 0.000 0.220 819 G C 1.363 176.276 174.900 0.022 0.000 1.121 819 G CA 0.481 45.589 45.100 0.013 0.000 0.758 819 G HN 0.234 nan 8.290 nan 0.000 0.559 820 E N 0.715 120.925 120.200 0.016 0.000 2.046 820 E HA -0.081 4.247 4.350 -0.037 0.000 0.190 820 E C 2.725 179.327 176.600 0.004 0.000 0.982 820 E CA 0.935 57.341 56.400 0.009 0.000 0.800 820 E CB -0.355 29.341 29.700 -0.007 0.000 0.756 820 E HN 0.252 nan 8.360 nan 0.000 0.449 821 V N 1.648 121.557 119.914 -0.009 0.000 2.720 821 V HA -0.175 3.923 4.120 -0.037 0.000 0.256 821 V C 1.868 177.962 176.094 -0.001 0.000 1.082 821 V CA 1.208 63.504 62.300 -0.008 0.000 1.101 821 V CB -0.997 30.814 31.823 -0.021 0.000 0.693 821 V HN 0.300 nan 8.190 nan 0.000 0.479 822 A N -0.275 122.545 122.820 0.000 0.000 2.790 822 A HA 0.439 4.737 4.320 -0.037 0.000 0.225 822 A C 0.926 178.516 177.584 0.009 0.000 1.904 822 A CA 0.152 52.191 52.037 0.003 0.000 0.878 822 A CB 0.038 19.039 19.000 0.002 0.000 1.774 822 A HN 0.273 nan 8.150 nan 0.000 0.714 823 L N -0.098 121.132 121.223 0.011 0.000 3.014 823 L HA 0.165 4.483 4.340 -0.037 0.000 0.263 823 L C 0.751 177.631 176.870 0.017 0.000 1.207 823 L CA -0.150 54.697 54.840 0.013 0.000 1.017 823 L CB -0.262 41.804 42.059 0.011 0.000 1.360 823 L HN 0.574 nan 8.230 nan 0.000 0.560 824 N N 1.188 119.901 118.700 0.022 0.000 2.333 824 N HA 0.132 4.850 4.740 -0.037 0.000 0.234 824 N C 0.838 176.368 175.510 0.033 0.000 1.035 824 N CA 0.207 53.275 53.050 0.030 0.000 1.171 824 N CB -0.223 38.289 38.487 0.042 0.000 1.503 824 N HN 0.079 nan 8.380 nan 0.000 0.624 825 A N 3.456 126.306 122.820 0.049 0.000 2.545 825 A HA 0.249 4.547 4.320 -0.037 0.000 0.253 825 A C -2.125 175.471 177.584 0.020 0.000 1.074 825 A CA -0.412 51.648 52.037 0.039 0.000 0.760 825 A CB -0.512 18.528 19.000 0.066 0.000 1.005 825 A HN 0.194 nan 8.150 nan 0.000 0.506 826 P HA 0.311 nan 4.420 nan 0.000 0.293 826 P C 0.823 178.129 177.300 0.010 0.000 1.304 826 P CA -0.657 62.449 63.100 0.010 0.000 0.767 826 P CB 0.477 32.180 31.700 0.006 0.000 1.247 827 I N -0.988 119.592 120.570 0.018 0.000 2.676 827 I HA -0.079 4.068 4.170 -0.037 0.000 0.259 827 I C 0.847 176.975 176.117 0.018 0.000 1.194 827 I CA 1.141 62.460 61.300 0.032 0.000 1.473 827 I CB -0.495 37.536 38.000 0.051 0.000 1.096 827 I HN 0.219 nan 8.210 nan 0.000 0.443 828 K N 2.000 122.403 120.400 0.006 0.000 2.687 828 K HA 0.519 4.817 4.320 -0.037 0.000 0.197 828 K C -1.083 175.519 176.600 0.002 0.000 1.049 828 K CA -0.280 56.010 56.287 0.004 0.000 1.030 828 K CB 0.956 33.455 32.500 -0.003 0.000 1.261 828 K HN -0.074 nan 8.250 nan 0.000 0.565 829 V N -0.172 119.741 119.914 -0.001 0.000 3.019 829 V HA 0.658 4.755 4.120 -0.037 0.000 0.317 829 V C 0.343 176.433 176.094 -0.006 0.000 1.094 829 V CA -1.401 60.895 62.300 -0.007 0.000 1.000 829 V CB 1.757 33.567 31.823 -0.021 0.000 1.060 829 V HN 0.615 nan 8.190 nan 0.000 0.443 830 A N 1.500 124.316 122.820 -0.007 0.000 2.545 830 A HA 0.586 4.883 4.320 -0.037 0.000 0.297 830 A C 0.707 178.282 177.584 -0.015 0.000 1.340 830 A CA 0.522 52.557 52.037 -0.004 0.000 1.016 830 A CB -0.943 18.056 19.000 -0.001 0.000 1.122 830 A HN 1.450 nan 8.150 nan 0.000 0.537 831 G N 2.345 111.142 108.800 -0.004 0.000 4.142 831 G HA2 0.394 4.332 3.960 -0.037 0.000 0.310 831 G HA3 0.394 4.332 3.960 -0.037 0.000 0.310 831 G C 0.554 175.472 174.900 0.030 0.000 1.384 831 G CA -0.291 44.811 45.100 0.002 0.000 0.838 831 G HN 0.743 nan 8.290 nan 0.000 0.512 832 R N 0.966 121.475 120.500 0.015 0.000 2.363 832 R HA -0.346 3.972 4.340 -0.037 0.000 0.189 832 R C 2.002 178.319 176.300 0.028 0.000 1.046 832 R CA 2.911 59.019 56.100 0.014 0.000 0.394 832 R CB -0.894 29.405 30.300 -0.002 0.000 0.716 832 R HN 0.554 nan 8.270 nan 0.000 0.256 833 E N -1.565 118.652 120.200 0.028 0.000 2.021 833 E HA -0.136 4.192 4.350 -0.037 0.000 0.200 833 E C 0.310 176.967 176.600 0.095 0.000 1.015 833 E CA 1.718 58.147 56.400 0.047 0.000 0.824 833 E CB -0.126 29.582 29.700 0.013 0.000 0.762 833 E HN 0.475 nan 8.360 nan 0.000 0.454 834 T N -0.841 113.812 114.554 0.165 0.000 3.105 834 T HA 0.222 4.550 4.350 -0.037 0.000 0.321 834 T C -0.919 173.841 174.700 0.099 0.000 1.135 834 T CA -0.631 61.548 62.100 0.131 0.000 1.053 834 T CB 1.628 70.579 68.868 0.138 0.000 1.133 834 T HN 0.072 nan 8.240 nan 0.000 0.463 835 S N 2.868 118.589 115.700 0.034 0.000 2.603 835 S HA 0.258 4.706 4.470 -0.037 0.000 0.268 835 S C 1.892 176.466 174.600 -0.043 0.000 1.317 835 S CA 0.019 58.217 58.200 -0.003 0.000 1.012 835 S CB 1.009 64.208 63.200 -0.002 0.000 0.926 835 S HN 1.220 nan 8.310 nan 0.000 0.539 836 V N 5.031 124.900 119.914 -0.074 0.000 2.527 836 V HA -0.098 3.999 4.120 -0.037 0.000 0.255 836 V C 2.085 178.130 176.094 -0.082 0.000 1.081 836 V CA 2.914 65.145 62.300 -0.115 0.000 1.092 836 V CB -1.462 30.310 31.823 -0.084 0.000 0.673 836 V HN 1.046 nan 8.190 nan 0.000 0.470 837 G N -0.561 108.229 108.800 -0.017 0.000 2.475 837 G HA2 -0.330 3.608 3.960 -0.037 0.000 0.220 837 G HA3 -0.330 3.608 3.960 -0.037 0.000 0.220 837 G C 1.743 176.675 174.900 0.054 0.000 1.125 837 G CA 0.950 46.082 45.100 0.053 0.000 0.755 837 G HN 0.557 nan 8.290 nan 0.000 0.565 838 R N -0.379 120.116 120.500 -0.009 0.000 2.200 838 R HA 0.241 4.559 4.340 -0.037 0.000 0.208 838 R C 2.347 178.593 176.300 -0.091 0.000 1.033 838 R CA 0.144 56.227 56.100 -0.029 0.000 1.000 838 R CB -0.142 30.151 30.300 -0.011 0.000 0.906 838 R HN 0.384 nan 8.270 nan 0.000 0.462 839 L N 0.347 121.482 121.223 -0.147 0.000 2.044 839 L HA -0.096 4.222 4.340 -0.037 0.000 0.205 839 L C 2.533 179.242 176.870 -0.269 0.000 1.075 839 L CA 1.284 55.990 54.840 -0.223 0.000 0.747 839 L CB -0.400 41.469 42.059 -0.317 0.000 0.903 839 L HN 0.113 nan 8.230 nan 0.000 0.435 840 K N -0.416 119.773 120.400 -0.352 0.000 2.147 840 K HA -0.130 4.168 4.320 -0.037 0.000 0.205 840 K C -0.425 175.646 176.600 -0.883 0.000 1.049 840 K CA 1.065 56.953 56.287 -0.667 0.000 0.936 840 K CB 0.139 32.087 32.500 -0.921 0.000 0.722 840 K HN 0.140 nan 8.250 nan 0.000 0.446 841 Y N -0.570 119.601 120.300 -0.215 0.000 2.391 841 Y HA 0.407 4.959 4.550 0.003 0.000 0.341 841 Y C -0.955 174.636 175.900 -0.515 0.000 0.965 841 Y CA -1.246 56.627 58.100 -0.377 0.000 1.067 841 Y CB 2.204 40.374 38.460 -0.484 0.000 1.199 841 Y HN -0.399 nan 8.280 nan 0.000 0.450 842 V N 4.888 124.600 119.914 -0.338 0.000 2.462 842 V HA 0.349 4.447 4.120 -0.037 0.000 0.288 842 V C -0.920 175.106 176.094 -0.113 0.000 1.020 842 V CA -1.096 61.054 62.300 -0.250 0.000 0.857 842 V CB 0.693 32.456 31.823 -0.099 0.000 1.013 842 V HN 0.616 nan 8.190 nan 0.000 0.431 843 F N 2.698 122.688 119.950 0.067 0.000 2.405 843 F HA 0.595 5.070 4.527 -0.085 0.000 0.355 843 F C 1.379 177.195 175.800 0.026 0.000 1.121 843 F CA -0.522 57.506 58.000 0.047 0.000 1.112 843 F CB 1.802 40.829 39.000 0.045 0.000 1.126 843 F HN 0.596 nan 8.300 nan 0.000 0.481 844 A N 3.645 126.592 122.820 0.211 0.000 1.819 844 A HA -0.156 4.142 4.320 -0.037 0.000 0.215 844 A C 0.866 178.488 177.584 0.062 0.000 1.226 844 A CA 1.135 53.232 52.037 0.101 0.000 0.608 844 A CB -0.630 18.409 19.000 0.065 0.000 0.877 844 A HN 0.763 nan 8.150 nan 0.000 0.452 845 N N -0.890 117.826 118.700 0.027 0.000 2.445 845 N HA 0.313 5.031 4.740 -0.037 0.000 0.264 845 N C -2.062 173.420 175.510 -0.046 0.000 1.227 845 N CA -1.413 51.613 53.050 -0.041 0.000 0.963 845 N CB 1.149 39.604 38.487 -0.052 0.000 1.188 845 N HN -0.090 nan 8.380 nan 0.000 0.491 846 P HA -0.100 nan 4.420 nan 0.000 0.210 846 P C 0.182 177.439 177.300 -0.072 0.000 1.189 846 P CA 1.441 64.489 63.100 -0.088 0.000 0.920 846 P CB 0.042 31.628 31.700 -0.189 0.000 0.782 847 D N -0.608 119.744 120.400 -0.080 0.000 2.200 847 D HA -0.223 4.394 4.640 -0.037 0.000 0.192 847 D C 1.866 178.088 176.300 -0.129 0.000 1.008 847 D CA 1.196 55.150 54.000 -0.076 0.000 0.872 847 D CB -0.544 40.222 40.800 -0.057 0.000 0.923 847 D HN 0.313 nan 8.370 nan 0.000 0.447 848 E N 0.096 120.212 120.200 -0.141 0.000 2.108 848 E HA -0.312 4.016 4.350 -0.037 0.000 0.203 848 E C 2.171 178.452 176.600 -0.531 0.000 1.022 848 E CA 1.257 57.526 56.400 -0.218 0.000 0.823 848 E CB -0.254 29.380 29.700 -0.110 0.000 0.744 848 E HN 0.361 nan 8.360 nan 0.000 0.456 849 A N 1.321 123.765 122.820 -0.627 0.000 1.859 849 A HA -0.208 4.090 4.320 -0.037 0.000 0.217 849 A C 2.327 179.555 177.584 -0.595 0.000 1.198 849 A CA 1.572 52.995 52.037 -1.023 0.000 0.629 849 A CB -0.891 17.953 19.000 -0.260 0.000 0.830 849 A HN 0.167 nan 8.150 nan 0.000 0.446 850 L N -0.463 120.595 121.223 -0.275 0.000 2.083 850 L HA -0.191 4.127 4.340 -0.037 0.000 0.209 850 L C 2.581 179.369 176.870 -0.136 0.000 1.083 850 L CA 0.976 55.727 54.840 -0.147 0.000 0.752 850 L CB -0.628 41.393 42.059 -0.062 0.000 0.899 850 L HN 0.384 nan 8.230 nan 0.000 0.433 851 L N -0.216 120.922 121.223 -0.141 0.000 2.012 851 L HA -0.262 4.056 4.340 -0.037 0.000 0.210 851 L C 2.969 179.842 176.870 0.004 0.000 1.073 851 L CA 1.413 56.226 54.840 -0.044 0.000 0.748 851 L CB -0.968 41.082 42.059 -0.015 0.000 0.891 851 L HN 0.294 nan 8.230 nan 0.000 0.431 852 A N -0.055 122.698 122.820 -0.113 0.000 1.917 852 A HA -0.187 4.111 4.320 -0.037 0.000 0.219 852 A C 2.350 179.921 177.584 -0.023 0.000 1.182 852 A CA 2.122 54.127 52.037 -0.054 0.000 0.633 852 A CB -0.960 17.949 19.000 -0.151 0.000 0.819 852 A HN 0.222 nan 8.150 nan 0.000 0.448 853 V N -0.119 119.745 119.914 -0.083 0.000 2.252 853 V HA -0.316 3.782 4.120 -0.037 0.000 0.249 853 V C 3.072 179.145 176.094 -0.034 0.000 1.056 853 V CA 2.186 64.454 62.300 -0.054 0.000 1.022 853 V CB -1.434 30.353 31.823 -0.060 0.000 0.641 853 V HN 0.653 nan 8.190 nan 0.000 0.445 854 A N -1.179 121.611 122.820 -0.050 0.000 1.908 854 A HA -0.270 4.028 4.320 -0.037 0.000 0.218 854 A C 2.030 179.532 177.584 -0.137 0.000 1.181 854 A CA 1.877 53.856 52.037 -0.096 0.000 0.627 854 A CB -0.793 18.124 19.000 -0.137 0.000 0.818 854 A HN 0.689 nan 8.150 nan 0.000 0.445 855 H N -1.006 118.045 119.070 -0.031 0.000 2.553 855 H HA 0.189 4.720 4.556 -0.042 0.000 0.269 855 H C 1.619 176.939 175.328 -0.013 0.000 1.011 855 H CA 0.669 56.706 56.048 -0.018 0.000 1.150 855 H CB -0.277 29.475 29.762 -0.017 0.000 1.339 855 H HN 0.666 nan 8.280 nan 0.000 0.604 856 G N 1.052 109.884 108.800 0.054 0.000 2.143 856 G HA2 -0.244 3.694 3.960 -0.037 0.000 0.248 856 G HA3 -0.244 3.694 3.960 -0.037 0.000 0.248 856 G C 1.050 175.963 174.900 0.022 0.000 0.991 856 G CA 0.434 45.553 45.100 0.031 0.000 0.689 856 G HN 0.339 nan 8.290 nan 0.000 0.522 857 I N -0.503 120.074 120.570 0.012 0.000 2.703 857 I HA 0.161 4.309 4.170 -0.037 0.000 0.259 857 I C 1.071 177.096 176.117 -0.153 0.000 1.151 857 I CA 1.020 62.294 61.300 -0.043 0.000 1.470 857 I CB -0.149 37.834 38.000 -0.028 0.000 1.112 857 I HN 0.084 nan 8.210 nan 0.000 0.437 858 V N 2.131 121.977 119.914 -0.113 0.000 2.623 858 V HA 0.311 4.409 4.120 -0.037 0.000 0.304 858 V C -0.679 175.380 176.094 -0.059 0.000 1.054 858 V CA -1.226 61.002 62.300 -0.119 0.000 0.882 858 V CB 2.432 34.206 31.823 -0.081 0.000 1.002 858 V HN 0.079 nan 8.190 nan 0.000 0.424 859 D N 3.203 123.571 120.400 -0.053 0.000 2.344 859 D HA 0.279 4.897 4.640 -0.037 0.000 0.244 859 D C 1.170 177.445 176.300 -0.042 0.000 1.134 859 D CA -0.371 53.606 54.000 -0.038 0.000 0.930 859 D CB 2.134 42.906 40.800 -0.046 0.000 1.175 859 D HN 0.333 nan 8.370 nan 0.000 0.437 860 L N 0.389 121.585 121.223 -0.046 0.000 2.201 860 L HA -0.210 4.108 4.340 -0.037 0.000 0.212 860 L C 1.798 178.621 176.870 -0.079 0.000 1.105 860 L CA 1.231 56.031 54.840 -0.067 0.000 0.775 860 L CB -0.195 41.800 42.059 -0.106 0.000 0.913 860 L HN 0.210 nan 8.230 nan 0.000 0.440 861 Q N -1.087 118.655 119.800 -0.096 0.000 2.360 861 Q HA 0.071 4.389 4.340 -0.037 0.000 0.202 861 Q C 0.082 176.051 176.000 -0.052 0.000 0.915 861 Q CA 0.126 55.879 55.803 -0.083 0.000 0.943 861 Q CB -0.115 28.576 28.738 -0.079 0.000 1.064 861 Q HN 0.205 nan 8.270 nan 0.000 0.511 862 D N -0.425 119.946 120.400 -0.048 0.000 2.329 862 D HA 0.139 4.757 4.640 -0.037 0.000 0.246 862 D C -0.615 175.684 176.300 -0.000 0.000 1.111 862 D CA -0.519 53.462 54.000 -0.030 0.000 0.941 862 D CB 1.217 41.996 40.800 -0.035 0.000 1.169 862 D HN -0.151 nan 8.370 nan 0.000 0.441 863 V N 2.198 122.118 119.914 0.009 0.000 2.408 863 V HA 0.417 4.514 4.120 -0.037 0.000 0.267 863 V C 0.394 176.504 176.094 0.026 0.000 1.047 863 V CA -0.463 61.850 62.300 0.021 0.000 0.937 863 V CB 0.623 32.458 31.823 0.021 0.000 0.999 863 V HN 0.304 nan 8.190 nan 0.000 0.472 864 V N 2.923 122.855 119.914 0.030 0.000 3.167 864 V HA 0.713 4.811 4.120 -0.037 0.000 0.310 864 V C 0.034 176.123 176.094 -0.008 0.000 1.207 864 V CA -0.764 61.532 62.300 -0.006 0.000 1.059 864 V CB 2.591 34.413 31.823 -0.002 0.000 1.079 864 V HN 0.869 nan 8.190 nan 0.000 0.446 865 T N -0.526 113.977 114.554 -0.085 0.000 2.823 865 T HA 0.867 5.194 4.350 -0.037 0.000 0.279 865 T C -0.749 173.950 174.700 -0.000 0.000 0.998 865 T CA -0.668 61.412 62.100 -0.033 0.000 0.994 865 T CB 1.646 70.484 68.868 -0.050 0.000 0.960 865 T HN 0.528 nan 8.240 nan 0.000 0.448 866 V N 1.769 121.743 119.914 0.100 0.000 3.007 866 V HA 0.606 4.704 4.120 -0.037 0.000 0.311 866 V C -0.312 175.865 176.094 0.138 0.000 1.120 866 V CA -1.283 61.125 62.300 0.180 0.000 0.980 866 V CB 2.420 34.401 31.823 0.263 0.000 1.033 866 V HN 0.978 nan 8.190 nan 0.000 0.429 867 R N 1.893 122.469 120.500 0.127 0.000 2.278 867 R HA 0.414 4.732 4.340 -0.037 0.000 0.322 867 R C -1.383 174.965 176.300 0.080 0.000 1.058 867 R CA -0.213 55.939 56.100 0.087 0.000 0.991 867 R CB 0.353 30.684 30.300 0.052 0.000 1.140 867 R HN 0.746 nan 8.270 nan 0.000 0.518 868 Y N 2.912 123.205 120.300 -0.011 0.000 2.540 868 Y HA 0.275 4.798 4.550 -0.046 0.000 0.371 868 Y C 0.795 176.654 175.900 -0.069 0.000 1.337 868 Y CA -0.473 57.603 58.100 -0.040 0.000 1.590 868 Y CB 0.676 39.095 38.460 -0.069 0.000 1.676 868 Y HN 0.410 nan 8.280 nan 0.000 0.614 869 M N 1.952 121.756 119.600 0.340 0.000 2.861 869 M HA 0.048 4.505 4.480 -0.037 0.000 0.347 869 M C 0.923 177.232 176.300 0.015 0.000 1.791 869 M CA 1.389 56.761 55.300 0.120 0.000 1.332 869 M CB -0.853 31.832 32.600 0.142 0.000 2.040 869 M HN 0.883 nan 8.290 nan 0.000 0.463 870 G N 2.049 110.849 108.800 -0.001 0.000 2.233 870 G HA2 -0.301 3.636 3.960 -0.037 0.000 0.270 870 G HA3 -0.301 3.636 3.960 -0.037 0.000 0.270 870 G C -0.112 174.774 174.900 -0.023 0.000 1.011 870 G CA 0.788 45.877 45.100 -0.018 0.000 0.762 870 G HN 0.575 nan 8.290 nan 0.000 0.511 871 K N -0.596 119.801 120.400 -0.004 0.000 2.498 871 K HA 0.611 4.909 4.320 -0.037 0.000 0.254 871 K C 0.158 176.776 176.600 0.030 0.000 0.933 871 K CA -1.029 55.254 56.287 -0.007 0.000 0.806 871 K CB 0.917 33.384 32.500 -0.056 0.000 1.301 871 K HN 0.095 nan 8.250 nan 0.000 0.432 872 R N 4.288 124.804 120.500 0.026 0.000 3.570 872 R HA 0.272 4.590 4.340 -0.037 0.000 0.233 872 R C -0.483 175.842 176.300 0.042 0.000 1.492 872 R CA -0.655 55.467 56.100 0.038 0.000 1.504 872 R CB -0.564 29.752 30.300 0.028 0.000 1.314 872 R HN 0.258 nan 8.270 nan 0.000 0.687 873 L N 0.433 121.690 121.223 0.056 0.000 2.380 873 L HA 0.195 4.513 4.340 -0.037 0.000 0.273 873 L C 0.341 177.250 176.870 0.065 0.000 1.138 873 L CA 0.104 54.980 54.840 0.060 0.000 0.832 873 L CB 0.337 42.435 42.059 0.065 0.000 1.124 873 L HN 0.272 nan 8.230 nan 0.000 0.454 874 E N 2.285 122.518 120.200 0.056 0.000 2.261 874 E HA 0.395 4.723 4.350 -0.037 0.000 0.239 874 E C -0.698 175.934 176.600 0.053 0.000 0.991 874 E CA -0.303 56.126 56.400 0.048 0.000 0.847 874 E CB 0.521 30.244 29.700 0.039 0.000 1.223 874 E HN 0.682 nan 8.360 nan 0.000 0.446 875 T N 0.236 114.831 114.554 0.067 0.000 2.916 875 T HA 0.333 4.661 4.350 -0.037 0.000 0.292 875 T C 0.123 174.865 174.700 0.069 0.000 1.064 875 T CA -0.979 61.158 62.100 0.063 0.000 1.011 875 T CB 1.610 70.522 68.868 0.073 0.000 1.152 875 T HN 0.366 nan 8.240 nan 0.000 0.510 876 S N 1.209 116.937 115.700 0.047 0.000 2.593 876 S HA 0.222 4.670 4.470 -0.037 0.000 0.269 876 S C -1.873 172.763 174.600 0.061 0.000 1.334 876 S CA -0.846 57.378 58.200 0.040 0.000 1.015 876 S CB 0.510 63.709 63.200 -0.002 0.000 0.912 876 S HN 0.340 nan 8.310 nan 0.000 0.541 877 P HA 0.008 nan 4.420 nan 0.000 0.214 877 P C 1.834 179.152 177.300 0.029 0.000 1.163 877 P CA 1.748 64.885 63.100 0.061 0.000 0.883 877 P CB -0.601 31.119 31.700 0.033 0.000 0.788 878 G N 0.376 109.161 108.800 -0.024 0.000 2.556 878 G HA2 -0.314 3.623 3.960 -0.037 0.000 0.220 878 G HA3 -0.314 3.623 3.960 -0.037 0.000 0.220 878 G C 1.685 176.589 174.900 0.007 0.000 1.156 878 G CA 0.917 45.979 45.100 -0.064 0.000 0.766 878 G HN 0.175 nan 8.290 nan 0.000 0.583 879 R N -0.042 120.464 120.500 0.011 0.000 2.073 879 R HA -0.038 4.279 4.340 -0.037 0.000 0.234 879 R C 2.588 178.978 176.300 0.150 0.000 1.134 879 R CA 1.052 57.189 56.100 0.062 0.000 0.952 879 R CB -0.777 29.541 30.300 0.030 0.000 0.850 879 R HN 0.336 nan 8.270 nan 0.000 0.433 880 I N 1.243 121.888 120.570 0.125 0.000 2.194 880 I HA -0.279 3.869 4.170 -0.037 0.000 0.246 880 I C 2.479 178.690 176.117 0.157 0.000 1.093 880 I CA 1.078 62.471 61.300 0.154 0.000 1.355 880 I CB -1.187 36.908 38.000 0.158 0.000 1.046 880 I HN 0.120 nan 8.210 nan 0.000 0.413 881 L N 0.607 121.911 121.223 0.135 0.000 2.017 881 L HA -0.213 4.105 4.340 -0.037 0.000 0.208 881 L C 2.473 179.426 176.870 0.139 0.000 1.073 881 L CA 1.634 56.554 54.840 0.133 0.000 0.745 881 L CB -1.167 40.967 42.059 0.125 0.000 0.894 881 L HN 0.147 nan 8.230 nan 0.000 0.432 882 F N 0.681 120.643 119.950 0.019 0.000 2.091 882 F HA -0.298 4.203 4.527 -0.044 0.000 0.299 882 F C 2.340 178.126 175.800 -0.025 0.000 1.103 882 F CA 1.841 59.838 58.000 -0.005 0.000 1.228 882 F CB -0.843 38.156 39.000 -0.002 0.000 0.984 882 F HN 0.185 nan 8.300 nan 0.000 0.477 883 A N 0.764 123.612 122.820 0.047 0.000 1.927 883 A HA -0.276 4.022 4.320 -0.037 0.000 0.220 883 A C 2.483 180.002 177.584 -0.108 0.000 1.185 883 A CA 1.984 53.995 52.037 -0.044 0.000 0.639 883 A CB -0.907 18.130 19.000 0.061 0.000 0.820 883 A HN 0.450 nan 8.150 nan 0.000 0.451 884 R N -0.071 120.404 120.500 -0.042 0.000 2.066 884 R HA -0.066 4.251 4.340 -0.037 0.000 0.232 884 R C 2.038 178.242 176.300 -0.159 0.000 1.131 884 R CA 1.742 57.823 56.100 -0.032 0.000 0.955 884 R CB -0.639 29.683 30.300 0.036 0.000 0.851 884 R HN 0.591 nan 8.270 nan 0.000 0.432 885 I N 0.839 121.222 120.570 -0.312 0.000 2.185 885 I HA -0.333 3.814 4.170 -0.037 0.000 0.246 885 I C 2.340 178.212 176.117 -0.409 0.000 1.088 885 I CA 1.482 62.456 61.300 -0.542 0.000 1.347 885 I CB -0.282 37.171 38.000 -0.912 0.000 1.041 885 I HN -0.011 nan 8.210 nan 0.000 0.415 886 V N 0.666 120.311 119.914 -0.448 0.000 2.346 886 V HA -0.122 3.976 4.120 -0.037 0.000 0.244 886 V C 2.660 178.653 176.094 -0.168 0.000 1.037 886 V CA 1.579 63.683 62.300 -0.327 0.000 1.029 886 V CB -1.029 30.548 31.823 -0.409 0.000 0.663 886 V HN 0.474 nan 8.190 nan 0.000 0.454 887 A N -0.193 122.547 122.820 -0.134 0.000 2.076 887 A HA -0.246 4.052 4.320 -0.037 0.000 0.220 887 A C 2.139 179.710 177.584 -0.021 0.000 1.160 887 A CA 2.186 54.199 52.037 -0.039 0.000 0.653 887 A CB -0.356 18.655 19.000 0.018 0.000 0.801 887 A HN 0.564 nan 8.150 nan 0.000 0.455 888 E N -0.802 119.371 120.200 -0.045 0.000 2.201 888 E HA 0.285 4.613 4.350 -0.037 0.000 0.193 888 E C 2.009 178.609 176.600 0.000 0.000 0.957 888 E CA 0.873 57.268 56.400 -0.008 0.000 0.858 888 E CB -0.303 29.399 29.700 0.004 0.000 0.816 888 E HN 0.395 nan 8.360 nan 0.000 0.475 889 A N 0.034 122.837 122.820 -0.028 0.000 2.024 889 A HA -0.020 4.277 4.320 -0.037 0.000 0.220 889 A C 0.600 178.187 177.584 0.005 0.000 1.164 889 A CA 1.132 53.169 52.037 -0.001 0.000 0.643 889 A CB 0.100 19.084 19.000 -0.027 0.000 0.806 889 A HN 0.075 nan 8.150 nan 0.000 0.451 890 V N -0.087 119.822 119.914 -0.009 0.000 2.419 890 V HA 0.218 4.316 4.120 -0.037 0.000 0.287 890 V C 0.598 176.694 176.094 0.004 0.000 1.017 890 V CA -0.365 61.934 62.300 -0.001 0.000 0.844 890 V CB 1.429 33.247 31.823 -0.009 0.000 1.011 890 V HN 0.470 nan 8.190 nan 0.000 0.429 891 E N 2.522 122.730 120.200 0.013 0.000 2.393 891 E HA -0.171 4.157 4.350 -0.037 0.000 0.201 891 E C 0.516 177.130 176.600 0.022 0.000 1.025 891 E CA 0.955 57.366 56.400 0.019 0.000 0.856 891 E CB -0.073 29.639 29.700 0.020 0.000 0.771 891 E HN 0.798 nan 8.360 nan 0.000 0.526 892 D N 0.629 121.040 120.400 0.018 0.000 2.597 892 D HA -0.015 4.603 4.640 -0.037 0.000 0.228 892 D C 0.835 177.158 176.300 0.037 0.000 1.120 892 D CA 0.112 54.127 54.000 0.025 0.000 1.083 892 D CB 0.103 40.913 40.800 0.017 0.000 1.116 892 D HN 0.284 nan 8.370 nan 0.000 0.487 893 E N 1.540 121.770 120.200 0.050 0.000 2.048 893 E HA -0.329 3.999 4.350 -0.037 0.000 0.202 893 E C 1.690 178.348 176.600 0.097 0.000 1.021 893 E CA 1.184 57.628 56.400 0.074 0.000 0.825 893 E CB 0.287 30.045 29.700 0.097 0.000 0.756 893 E HN 0.068 nan 8.360 nan 0.000 0.454 894 K N 0.141 120.600 120.400 0.097 0.000 2.063 894 K HA -0.118 4.180 4.320 -0.037 0.000 0.208 894 K C 2.082 178.777 176.600 0.160 0.000 1.048 894 K CA 1.111 57.476 56.287 0.130 0.000 0.928 894 K CB -0.378 32.180 32.500 0.097 0.000 0.713 894 K HN 0.150 nan 8.250 nan 0.000 0.442 895 V N 0.972 120.942 119.914 0.094 0.000 2.913 895 V HA -0.164 3.934 4.120 -0.037 0.000 0.260 895 V C 2.213 178.333 176.094 0.043 0.000 1.098 895 V CA 1.523 63.860 62.300 0.061 0.000 1.121 895 V CB -0.573 31.267 31.823 0.028 0.000 0.714 895 V HN 0.255 nan 8.190 nan 0.000 0.487 896 A N -1.225 121.631 122.820 0.060 0.000 2.021 896 A HA -0.138 4.160 4.320 -0.037 0.000 0.216 896 A C 1.878 179.491 177.584 0.049 0.000 1.163 896 A CA 0.911 52.963 52.037 0.025 0.000 0.676 896 A CB -0.511 18.496 19.000 0.011 0.000 0.818 896 A HN 0.738 nan 8.150 nan 0.000 0.453 897 W N 1.043 122.298 121.300 -0.075 0.000 2.640 897 W HA 0.076 4.709 4.660 -0.045 0.000 0.268 897 W C 1.556 178.039 176.519 -0.060 0.000 1.263 897 W CA 1.159 58.450 57.345 -0.090 0.000 1.344 897 W CB 0.190 29.570 29.460 -0.133 0.000 1.093 897 W HN 0.422 nan 8.180 nan 0.000 0.603 898 E N 0.520 120.642 120.200 -0.130 0.000 2.150 898 E HA -0.192 4.136 4.350 -0.037 0.000 0.193 898 E C 1.883 178.268 176.600 -0.358 0.000 0.985 898 E CA 1.423 57.621 56.400 -0.338 0.000 0.814 898 E CB -0.449 29.213 29.700 -0.063 0.000 0.752 898 E HN 0.257 nan 8.360 nan 0.000 0.466 899 L N -0.267 120.820 121.223 -0.228 0.000 2.640 899 L HA 0.360 4.677 4.340 -0.037 0.000 0.230 899 L C 0.612 177.386 176.870 -0.160 0.000 1.123 899 L CA 0.157 54.890 54.840 -0.177 0.000 0.900 899 L CB -1.083 40.912 42.059 -0.107 0.000 1.146 899 L HN -0.024 nan 8.230 nan 0.000 0.484 900 I N -0.080 120.369 120.570 -0.202 0.000 2.562 900 I HA 0.548 4.695 4.170 -0.037 0.000 0.301 900 I C -0.415 175.602 176.117 -0.166 0.000 1.003 900 I CA -0.709 60.530 61.300 -0.101 0.000 1.127 900 I CB 1.959 39.959 38.000 0.001 0.000 1.304 900 I HN 0.228 nan 8.210 nan 0.000 0.446 901 Q N 6.296 126.054 119.800 -0.070 0.000 2.560 901 Q HA 0.370 4.688 4.340 -0.037 0.000 0.238 901 Q C -0.083 175.899 176.000 -0.030 0.000 1.079 901 Q CA -0.667 55.083 55.803 -0.087 0.000 0.866 901 Q CB 1.153 29.840 28.738 -0.084 0.000 1.153 901 Q HN 0.932 nan 8.270 nan 0.000 0.530 902 L N -1.633 119.594 121.223 0.006 0.000 2.660 902 L HA 0.271 4.588 4.340 -0.037 0.000 0.238 902 L C -0.431 176.442 176.870 0.006 0.000 1.161 902 L CA 0.087 54.950 54.840 0.038 0.000 0.937 902 L CB -0.031 42.095 42.059 0.112 0.000 1.122 902 L HN 0.208 nan 8.230 nan 0.000 0.435 903 D N 0.466 120.856 120.400 -0.015 0.000 2.342 903 D HA 0.218 4.835 4.640 -0.037 0.000 0.221 903 D C 0.292 176.570 176.300 -0.037 0.000 1.101 903 D CA 0.479 54.471 54.000 -0.012 0.000 0.837 903 D CB 0.690 41.487 40.800 -0.005 0.000 0.938 903 D HN 0.382 nan 8.370 nan 0.000 0.508 904 V N -4.189 115.683 119.914 -0.070 0.000 3.282 904 V HA 0.502 4.600 4.120 -0.037 0.000 0.295 904 V C -3.016 172.969 176.094 -0.181 0.000 1.451 904 V CA -2.464 59.777 62.300 -0.097 0.000 1.062 904 V CB 1.687 33.470 31.823 -0.067 0.000 1.128 904 V HN -0.374 nan 8.190 nan 0.000 0.456 905 P HA 0.300 nan 4.420 nan 0.000 0.275 905 P C -0.967 176.150 177.300 -0.305 0.000 1.227 905 P CA -0.015 62.810 63.100 -0.458 0.000 0.781 905 P CB 0.307 31.547 31.700 -0.766 0.000 0.906 906 Q N 2.400 121.981 119.800 -0.365 0.000 2.263 906 Q HA 0.068 4.385 4.340 -0.037 0.000 0.270 906 Q C 0.185 176.226 176.000 0.068 0.000 1.104 906 Q CA 0.766 56.441 55.803 -0.214 0.000 0.909 906 Q CB 0.002 28.485 28.738 -0.424 0.000 1.214 906 Q HN 0.468 nan 8.270 nan 0.000 0.400 907 E N 1.535 121.774 120.200 0.066 0.000 2.239 907 E HA 0.106 4.433 4.350 -0.037 0.000 0.261 907 E C 0.763 177.389 176.600 0.044 0.000 1.016 907 E CA -0.432 56.025 56.400 0.095 0.000 0.882 907 E CB 0.963 30.701 29.700 0.063 0.000 1.190 907 E HN 0.487 nan 8.360 nan 0.000 0.415 908 K N 1.864 122.277 120.400 0.022 0.000 2.103 908 K HA -0.192 4.106 4.320 -0.037 0.000 0.207 908 K C 1.057 177.671 176.600 0.024 0.000 1.048 908 K CA 1.798 58.098 56.287 0.021 0.000 0.930 908 K CB -0.094 32.409 32.500 0.004 0.000 0.716 908 K HN 0.337 nan 8.250 nan 0.000 0.444 909 N N 1.209 119.918 118.700 0.016 0.000 2.106 909 N HA -0.154 4.564 4.740 -0.037 0.000 0.188 909 N C 2.114 177.639 175.510 0.025 0.000 1.029 909 N CA 1.794 54.854 53.050 0.017 0.000 0.848 909 N CB -0.375 38.116 38.487 0.007 0.000 1.007 909 N HN 0.519 nan 8.380 nan 0.000 0.423 910 S N 1.423 117.134 115.700 0.019 0.000 2.365 910 S HA -0.124 4.324 4.470 -0.037 0.000 0.225 910 S C 2.128 176.756 174.600 0.046 0.000 1.039 910 S CA 0.957 59.167 58.200 0.017 0.000 1.033 910 S CB -0.655 62.540 63.200 -0.009 0.000 0.887 910 S HN 0.059 nan 8.310 nan 0.000 0.447 911 L N 1.903 123.161 121.223 0.059 0.000 2.005 911 L HA 0.094 4.412 4.340 -0.037 0.000 0.207 911 L C 2.750 179.671 176.870 0.084 0.000 1.072 911 L CA 1.985 56.882 54.840 0.096 0.000 0.744 911 L CB -0.988 41.130 42.059 0.098 0.000 0.895 911 L HN 0.311 nan 8.230 nan 0.000 0.433 912 K N 0.028 120.466 120.400 0.064 0.000 2.077 912 K HA -0.257 4.041 4.320 -0.037 0.000 0.213 912 K C 1.815 178.470 176.600 0.092 0.000 1.051 912 K CA 2.031 58.355 56.287 0.060 0.000 0.929 912 K CB -0.443 32.079 32.500 0.037 0.000 0.715 912 K HN 0.236 nan 8.250 nan 0.000 0.451 913 D N 0.014 120.466 120.400 0.087 0.000 2.097 913 D HA -0.159 4.458 4.640 -0.037 0.000 0.195 913 D C 1.891 178.252 176.300 0.102 0.000 0.989 913 D CA 1.164 55.230 54.000 0.111 0.000 0.827 913 D CB -0.244 40.593 40.800 0.061 0.000 0.966 913 D HN 0.242 nan 8.370 nan 0.000 0.456 914 L N 0.261 121.531 121.223 0.079 0.000 2.021 914 L HA -0.249 4.069 4.340 -0.037 0.000 0.215 914 L C 2.237 179.157 176.870 0.083 0.000 1.074 914 L CA 1.184 56.067 54.840 0.071 0.000 0.760 914 L CB -0.166 41.957 42.059 0.106 0.000 0.889 914 L HN -0.037 nan 8.230 nan 0.000 0.433 915 V N -0.902 119.076 119.914 0.107 0.000 2.255 915 V HA -0.399 3.699 4.120 -0.037 0.000 0.247 915 V C 2.118 178.328 176.094 0.192 0.000 1.051 915 V CA 2.389 64.762 62.300 0.123 0.000 1.018 915 V CB -1.025 30.855 31.823 0.095 0.000 0.641 915 V HN 0.578 nan 8.190 nan 0.000 0.445 916 Y N 0.428 120.753 120.300 0.042 0.000 2.114 916 Y HA -0.393 4.134 4.550 -0.038 0.000 0.282 916 Y C 2.878 178.859 175.900 0.135 0.000 1.165 916 Y CA 1.980 60.117 58.100 0.063 0.000 1.148 916 Y CB 0.020 38.502 38.460 0.037 0.000 0.972 916 Y HN 0.231 nan 8.280 nan 0.000 0.504 917 Q N 0.563 120.326 119.800 -0.062 0.000 2.030 917 Q HA -0.212 4.106 4.340 -0.037 0.000 0.204 917 Q C 2.487 178.458 176.000 -0.049 0.000 0.986 917 Q CA 2.037 57.736 55.803 -0.175 0.000 0.843 917 Q CB -0.823 27.849 28.738 -0.110 0.000 0.904 917 Q HN 0.614 nan 8.270 nan 0.000 0.420 918 A N -0.322 122.519 122.820 0.035 0.000 1.927 918 A HA -0.240 4.058 4.320 -0.037 0.000 0.220 918 A C 1.947 179.593 177.584 0.103 0.000 1.185 918 A CA 1.646 53.717 52.037 0.056 0.000 0.639 918 A CB -0.968 18.076 19.000 0.074 0.000 0.820 918 A HN 0.446 nan 8.150 nan 0.000 0.451 919 F N -0.287 119.669 119.950 0.010 0.000 1.990 919 F HA -0.128 4.376 4.527 -0.038 0.000 0.294 919 F C 1.990 177.790 175.800 0.001 0.000 1.177 919 F CA 1.974 59.996 58.000 0.037 0.000 1.167 919 F CB -0.812 38.269 39.000 0.136 0.000 0.971 919 F HN 0.181 nan 8.300 nan 0.000 0.483 920 L N 0.874 122.215 121.223 0.197 0.000 2.010 920 L HA -0.294 4.024 4.340 -0.037 0.000 0.219 920 L C 2.605 179.427 176.870 -0.080 0.000 1.077 920 L CA 1.875 56.729 54.840 0.023 0.000 0.773 920 L CB -0.814 41.222 42.059 -0.037 0.000 0.892 920 L HN 0.132 nan 8.230 nan 0.000 0.436 921 R N -0.712 119.743 120.500 -0.074 0.000 2.092 921 R HA -0.094 4.224 4.340 -0.037 0.000 0.226 921 R C 2.119 178.376 176.300 -0.072 0.000 1.140 921 R CA 1.993 58.053 56.100 -0.067 0.000 0.910 921 R CB -1.140 29.124 30.300 -0.061 0.000 0.822 921 R HN 0.365 nan 8.270 nan 0.000 0.433 922 L N -1.142 120.041 121.223 -0.067 0.000 1.909 922 L HA 0.085 4.403 4.340 -0.037 0.000 0.216 922 L C 1.408 178.214 176.870 -0.107 0.000 1.097 922 L CA 1.212 56.013 54.840 -0.065 0.000 0.777 922 L CB -0.586 41.449 42.059 -0.040 0.000 0.887 922 L HN 0.405 nan 8.230 nan 0.000 0.432 923 G N -2.773 105.946 108.800 -0.135 0.000 2.523 923 G HA2 0.281 4.219 3.960 -0.037 0.000 0.291 923 G HA3 0.281 4.219 3.960 -0.037 0.000 0.291 923 G C -0.307 174.461 174.900 -0.221 0.000 1.450 923 G CA -0.174 44.809 45.100 -0.195 0.000 0.790 923 G HN 0.138 nan 8.290 nan 0.000 0.496 924 M N 0.295 119.732 119.600 -0.272 0.000 2.126 924 M HA -0.068 4.389 4.480 -0.037 0.000 0.259 924 M C 2.564 178.865 176.300 0.002 0.000 1.073 924 M CA 2.876 58.085 55.300 -0.152 0.000 1.103 924 M CB -0.435 32.125 32.600 -0.066 0.000 1.284 924 M HN 0.798 nan 8.290 nan 0.000 0.420 925 E N 0.037 120.239 120.200 0.003 0.000 2.130 925 E HA -0.299 4.028 4.350 -0.037 0.000 0.196 925 E C 2.007 178.610 176.600 0.006 0.000 0.998 925 E CA 1.760 58.163 56.400 0.005 0.000 0.806 925 E CB -0.627 29.085 29.700 0.020 0.000 0.738 925 E HN 0.596 nan 8.360 nan 0.000 0.459 926 K N 0.667 121.065 120.400 -0.003 0.000 2.057 926 K HA -0.114 4.184 4.320 -0.037 0.000 0.207 926 K C 2.177 178.790 176.600 0.022 0.000 1.049 926 K CA 1.853 58.143 56.287 0.005 0.000 0.931 926 K CB -0.152 32.343 32.500 -0.009 0.000 0.714 926 K HN 0.078 nan 8.250 nan 0.000 0.440 927 T N 0.783 115.360 114.554 0.037 0.000 2.737 927 T HA -0.209 4.119 4.350 -0.037 0.000 0.269 927 T C 1.763 176.505 174.700 0.070 0.000 1.040 927 T CA 1.360 63.511 62.100 0.085 0.000 1.142 927 T CB -0.375 68.616 68.868 0.205 0.000 0.861 927 T HN 0.438 nan 8.240 nan 0.000 0.456 928 A N 1.594 124.443 122.820 0.050 0.000 1.892 928 A HA -0.195 4.103 4.320 -0.037 0.000 0.218 928 A C 2.272 179.875 177.584 0.032 0.000 1.188 928 A CA 2.072 54.121 52.037 0.020 0.000 0.631 928 A CB -0.685 18.299 19.000 -0.027 0.000 0.822 928 A HN 0.444 nan 8.150 nan 0.000 0.447 929 R N -0.783 119.740 120.500 0.038 0.000 2.103 929 R HA -0.199 4.119 4.340 -0.037 0.000 0.234 929 R C 2.179 178.513 176.300 0.058 0.000 1.132 929 R CA 1.997 58.128 56.100 0.052 0.000 0.925 929 R CB -0.609 29.718 30.300 0.046 0.000 0.842 929 R HN 0.504 nan 8.270 nan 0.000 0.430 930 L N 1.345 122.593 121.223 0.040 0.000 2.137 930 L HA -0.201 4.117 4.340 -0.037 0.000 0.213 930 L C 1.913 178.809 176.870 0.044 0.000 1.085 930 L CA 1.693 56.549 54.840 0.027 0.000 0.760 930 L CB -0.463 41.602 42.059 0.009 0.000 0.893 930 L HN 0.284 nan 8.230 nan 0.000 0.434 931 L N -0.516 120.737 121.223 0.050 0.000 1.970 931 L HA -0.235 4.083 4.340 -0.037 0.000 0.212 931 L C 2.462 179.375 176.870 0.070 0.000 1.071 931 L CA 1.868 56.737 54.840 0.050 0.000 0.751 931 L CB -0.891 41.185 42.059 0.028 0.000 0.889 931 L HN 0.322 nan 8.230 nan 0.000 0.432 932 D N -0.279 120.176 120.400 0.090 0.000 2.117 932 D HA -0.177 4.440 4.640 -0.037 0.000 0.197 932 D C 2.180 178.582 176.300 0.170 0.000 0.987 932 D CA 1.462 55.544 54.000 0.138 0.000 0.829 932 D CB 0.039 40.925 40.800 0.143 0.000 0.961 932 D HN 0.348 nan 8.370 nan 0.000 0.460 933 A N 1.102 124.028 122.820 0.176 0.000 1.903 933 A HA -0.209 4.089 4.320 -0.037 0.000 0.219 933 A C 2.440 180.192 177.584 0.281 0.000 1.191 933 A CA 1.276 53.473 52.037 0.267 0.000 0.638 933 A CB -0.913 18.172 19.000 0.140 0.000 0.823 933 A HN 0.233 nan 8.150 nan 0.000 0.451 934 L N -0.756 120.544 121.223 0.127 0.000 2.027 934 L HA -0.190 4.128 4.340 -0.037 0.000 0.206 934 L C 2.659 179.557 176.870 0.046 0.000 1.074 934 L CA 1.840 56.740 54.840 0.101 0.000 0.745 934 L CB -0.482 41.627 42.059 0.083 0.000 0.898 934 L HN 0.479 nan 8.230 nan 0.000 0.433 935 K N -0.177 120.210 120.400 -0.023 0.000 2.113 935 K HA -0.271 4.027 4.320 -0.037 0.000 0.208 935 K C 2.111 178.476 176.600 -0.390 0.000 1.047 935 K CA 1.761 57.869 56.287 -0.298 0.000 0.928 935 K CB -0.289 32.157 32.500 -0.090 0.000 0.716 935 K HN 0.346 nan 8.250 nan 0.000 0.446 936 Y N -0.135 120.075 120.300 -0.151 0.000 2.113 936 Y HA -0.338 4.195 4.550 -0.028 0.000 0.269 936 Y C 2.162 177.967 175.900 -0.158 0.000 1.098 936 Y CA 1.569 59.611 58.100 -0.096 0.000 1.083 936 Y CB -0.436 37.982 38.460 -0.069 0.000 0.997 936 Y HN 0.018 nan 8.280 nan 0.000 0.476 937 Y N 0.671 120.758 120.300 -0.355 0.000 2.173 937 Y HA -0.290 4.233 4.550 -0.044 0.000 0.282 937 Y C 2.607 178.180 175.900 -0.545 0.000 1.192 937 Y CA 1.308 58.941 58.100 -0.778 0.000 1.176 937 Y CB -1.342 36.716 38.460 -0.670 0.000 0.969 937 Y HN 0.323 nan 8.280 nan 0.000 0.519 938 G N -0.633 108.152 108.800 -0.024 0.000 2.480 938 G HA2 -0.261 3.677 3.960 -0.037 0.000 0.216 938 G HA3 -0.261 3.677 3.960 -0.037 0.000 0.216 938 G C 1.646 176.633 174.900 0.145 0.000 1.200 938 G CA 1.108 46.248 45.100 0.065 0.000 0.782 938 G HN 0.432 nan 8.290 nan 0.000 0.554 939 F N 1.651 121.654 119.950 0.089 0.000 2.046 939 F HA -0.187 4.317 4.527 -0.039 0.000 0.297 939 F C 3.387 179.208 175.800 0.035 0.000 1.123 939 F CA 1.577 59.620 58.000 0.071 0.000 1.199 939 F CB -0.796 38.251 39.000 0.078 0.000 0.972 939 F HN 0.271 nan 8.300 nan 0.000 0.474 940 T N -0.921 113.724 114.554 0.153 0.000 2.570 940 T HA -0.329 3.999 4.350 -0.037 0.000 0.266 940 T C 1.733 176.503 174.700 0.117 0.000 1.071 940 T CA 1.836 63.937 62.100 0.002 0.000 1.172 940 T CB -1.501 67.167 68.868 -0.333 0.000 0.864 940 T HN 0.296 nan 8.240 nan 0.000 0.421 941 F N 1.715 121.735 119.950 0.117 0.000 2.161 941 F HA -0.138 4.401 4.527 0.020 0.000 0.300 941 F C 3.351 179.213 175.800 0.103 0.000 1.089 941 F CA 0.799 58.877 58.000 0.129 0.000 1.282 941 F CB -0.525 38.588 39.000 0.188 0.000 1.010 941 F HN 0.332 nan 8.300 nan 0.000 0.485 942 S N 0.256 116.148 115.700 0.319 0.000 2.365 942 S HA -0.279 4.168 4.470 -0.037 0.000 0.225 942 S C 2.265 176.926 174.600 0.101 0.000 1.039 942 S CA 2.380 60.697 58.200 0.195 0.000 1.033 942 S CB -0.883 62.447 63.200 0.216 0.000 0.887 942 S HN 0.543 nan 8.310 nan 0.000 0.447 943 T N -0.320 114.299 114.554 0.107 0.000 2.788 943 T HA -0.127 4.200 4.350 -0.037 0.000 0.268 943 T C 2.043 176.763 174.700 0.034 0.000 1.044 943 T CA 2.277 64.408 62.100 0.053 0.000 1.139 943 T CB -1.542 67.355 68.868 0.048 0.000 0.867 943 T HN 0.686 nan 8.240 nan 0.000 0.454 944 T N 0.760 115.355 114.554 0.069 0.000 2.851 944 T HA -0.075 4.253 4.350 -0.037 0.000 0.262 944 T C 2.381 177.062 174.700 -0.031 0.000 1.043 944 T CA 1.490 63.618 62.100 0.047 0.000 1.140 944 T CB -1.087 67.847 68.868 0.110 0.000 0.872 944 T HN 0.625 nan 8.240 nan 0.000 0.446 945 S N 2.120 117.757 115.700 -0.106 0.000 2.413 945 S HA -0.003 4.445 4.470 -0.037 0.000 0.237 945 S C 1.944 176.315 174.600 -0.383 0.000 1.044 945 S CA 1.181 59.090 58.200 -0.486 0.000 1.024 945 S CB -1.789 61.013 63.200 -0.662 0.000 0.829 945 S HN 1.771 nan 8.310 nan 0.000 0.475 946 G N 1.195 109.888 108.800 -0.178 0.000 2.351 946 G HA2 -0.183 3.754 3.960 -0.037 0.000 0.297 946 G HA3 -0.183 3.754 3.960 -0.037 0.000 0.297 946 G C -0.248 174.589 174.900 -0.105 0.000 1.054 946 G CA 0.218 45.255 45.100 -0.105 0.000 1.123 946 G HN 1.468 nan 8.290 nan 0.000 0.512 947 I N -0.575 119.931 120.570 -0.107 0.000 2.362 947 I HA 0.923 5.071 4.170 -0.037 0.000 0.289 947 I C 0.290 176.384 176.117 -0.038 0.000 0.994 947 I CA -0.138 61.123 61.300 -0.065 0.000 1.158 947 I CB 1.891 39.850 38.000 -0.068 0.000 1.315 947 I HN 0.424 nan 8.210 nan 0.000 0.451 948 T N 3.100 117.638 114.554 -0.026 0.000 2.591 948 T HA 0.714 5.042 4.350 -0.037 0.000 0.274 948 T C -0.509 174.178 174.700 -0.021 0.000 0.945 948 T CA -0.830 61.256 62.100 -0.024 0.000 1.087 948 T CB 1.202 70.056 68.868 -0.023 0.000 1.416 948 T HN 0.517 nan 8.240 nan 0.000 0.514 949 I N 1.170 121.727 120.570 -0.021 0.000 2.493 949 I HA 0.570 4.717 4.170 -0.037 0.000 0.279 949 I C 0.489 176.597 176.117 -0.015 0.000 1.045 949 I CA -0.766 60.522 61.300 -0.019 0.000 1.106 949 I CB 1.359 39.343 38.000 -0.026 0.000 1.216 949 I HN 0.965 nan 8.210 nan 0.000 0.459 950 G N 4.694 113.487 108.800 -0.011 0.000 2.521 950 G HA2 0.468 4.406 3.960 -0.037 0.000 0.323 950 G HA3 0.468 4.406 3.960 -0.037 0.000 0.323 950 G C 0.886 175.786 174.900 0.000 0.000 1.211 950 G CA -0.518 44.578 45.100 -0.008 0.000 0.979 950 G HN 0.395 nan 8.290 nan 0.000 0.490 951 I N 0.045 120.618 120.570 0.004 0.000 2.286 951 I HA -0.105 4.043 4.170 -0.037 0.000 0.248 951 I C 1.538 177.666 176.117 0.018 0.000 1.115 951 I CA 1.221 62.530 61.300 0.015 0.000 1.392 951 I CB -0.315 37.695 38.000 0.016 0.000 1.065 951 I HN 0.385 nan 8.210 nan 0.000 0.418 952 D N 1.052 121.455 120.400 0.005 0.000 2.390 952 D HA -0.109 4.508 4.640 -0.037 0.000 0.235 952 D C 1.165 177.458 176.300 -0.011 0.000 1.040 952 D CA 0.617 54.615 54.000 -0.003 0.000 0.923 952 D CB 0.023 40.810 40.800 -0.021 0.000 0.886 952 D HN 0.387 nan 8.370 nan 0.000 0.532 953 D N 0.095 120.503 120.400 0.013 0.000 2.323 953 D HA 0.041 4.658 4.640 -0.037 0.000 0.218 953 D C 0.947 177.320 176.300 0.122 0.000 0.973 953 D CA 0.246 54.267 54.000 0.034 0.000 0.890 953 D CB -0.071 40.739 40.800 0.016 0.000 1.011 953 D HN 0.009 nan 8.370 nan 0.000 0.499 954 A N 1.821 124.704 122.820 0.105 0.000 2.906 954 A HA 0.339 4.636 4.320 -0.037 0.000 0.289 954 A C 0.222 177.900 177.584 0.158 0.000 1.675 954 A CA -0.244 51.888 52.037 0.158 0.000 1.372 954 A CB -0.554 18.511 19.000 0.109 0.000 1.091 954 A HN -0.051 nan 8.150 nan 0.000 0.579 955 V N 3.730 123.773 119.914 0.216 0.000 2.614 955 V HA 0.150 4.248 4.120 -0.037 0.000 0.291 955 V C 0.479 176.563 176.094 -0.017 0.000 1.049 955 V CA 0.067 62.408 62.300 0.068 0.000 1.038 955 V CB 0.824 32.658 31.823 0.019 0.000 0.980 955 V HN 0.635 nan 8.190 nan 0.000 0.481 956 I N 6.277 126.833 120.570 -0.023 0.000 2.331 956 I HA 0.347 4.495 4.170 -0.037 0.000 0.292 956 I C -2.165 173.894 176.117 -0.096 0.000 0.998 956 I CA -1.801 59.472 61.300 -0.045 0.000 1.267 956 I CB 1.681 39.674 38.000 -0.011 0.000 1.386 956 I HN 0.452 nan 8.210 nan 0.000 0.476 957 P HA 0.040 nan 4.420 nan 0.000 0.271 957 P C 0.435 177.672 177.300 -0.105 0.000 1.216 957 P CA -0.194 62.810 63.100 -0.160 0.000 0.776 957 P CB 0.828 32.413 31.700 -0.193 0.000 0.881 958 E N 2.994 123.140 120.200 -0.090 0.000 2.204 958 E HA -0.232 4.096 4.350 -0.037 0.000 0.195 958 E C 1.336 177.923 176.600 -0.021 0.000 0.990 958 E CA 1.421 57.794 56.400 -0.045 0.000 0.821 958 E CB -0.357 29.321 29.700 -0.037 0.000 0.750 958 E HN 0.483 nan 8.360 nan 0.000 0.477 959 E N 0.839 121.007 120.200 -0.053 0.000 2.409 959 E HA -0.211 4.117 4.350 -0.037 0.000 0.198 959 E C 1.762 178.357 176.600 -0.009 0.000 1.024 959 E CA 0.730 57.127 56.400 -0.006 0.000 0.861 959 E CB -0.283 29.325 29.700 -0.154 0.000 0.788 959 E HN 0.304 nan 8.360 nan 0.000 0.521 960 K N 2.314 122.674 120.400 -0.068 0.000 1.987 960 K HA -0.267 4.030 4.320 -0.037 0.000 0.216 960 K C 2.235 178.888 176.600 0.087 0.000 1.051 960 K CA 2.580 58.858 56.287 -0.016 0.000 0.942 960 K CB -0.097 32.390 32.500 -0.022 0.000 0.722 960 K HN 0.116 nan 8.250 nan 0.000 0.444 961 K N 0.753 121.194 120.400 0.069 0.000 2.113 961 K HA -0.222 4.076 4.320 -0.037 0.000 0.208 961 K C 2.061 178.733 176.600 0.119 0.000 1.047 961 K CA 1.897 58.233 56.287 0.082 0.000 0.928 961 K CB -0.371 32.161 32.500 0.054 0.000 0.716 961 K HN 0.322 nan 8.250 nan 0.000 0.446 962 Q N -0.302 119.592 119.800 0.155 0.000 1.942 962 Q HA -0.131 4.186 4.340 -0.037 0.000 0.203 962 Q C 2.027 178.157 176.000 0.216 0.000 0.987 962 Q CA 1.807 57.716 55.803 0.176 0.000 0.844 962 Q CB -0.392 28.480 28.738 0.225 0.000 0.911 962 Q HN 0.387 nan 8.270 nan 0.000 0.423 963 Y N 0.839 121.162 120.300 0.039 0.000 2.283 963 Y HA -0.247 4.281 4.550 -0.036 0.000 0.285 963 Y C 2.020 177.971 175.900 0.086 0.000 1.176 963 Y CA 0.963 59.094 58.100 0.052 0.000 1.229 963 Y CB -0.410 38.088 38.460 0.063 0.000 0.975 963 Y HN 0.139 nan 8.280 nan 0.000 0.537 964 L N -0.871 120.515 121.223 0.272 0.000 2.034 964 L HA -0.160 4.158 4.340 -0.037 0.000 0.203 964 L C 2.553 179.534 176.870 0.185 0.000 1.074 964 L CA 1.554 56.544 54.840 0.251 0.000 0.748 964 L CB -0.450 41.721 42.059 0.187 0.000 0.905 964 L HN 0.030 nan 8.230 nan 0.000 0.439 965 E N 0.502 120.777 120.200 0.125 0.000 2.085 965 E HA -0.290 4.038 4.350 -0.037 0.000 0.194 965 E C 1.923 178.544 176.600 0.036 0.000 0.994 965 E CA 1.758 58.205 56.400 0.079 0.000 0.801 965 E CB -0.062 29.673 29.700 0.058 0.000 0.743 965 E HN 0.397 nan 8.360 nan 0.000 0.453 966 E N -0.293 119.914 120.200 0.011 0.000 2.021 966 E HA -0.253 4.074 4.350 -0.037 0.000 0.200 966 E C 1.977 178.527 176.600 -0.083 0.000 1.015 966 E CA 1.498 57.867 56.400 -0.051 0.000 0.824 966 E CB -0.430 29.207 29.700 -0.106 0.000 0.762 966 E HN 0.316 nan 8.360 nan 0.000 0.454 967 A N 1.092 123.853 122.820 -0.099 0.000 2.024 967 A HA -0.240 4.058 4.320 -0.037 0.000 0.220 967 A C 2.010 179.450 177.584 -0.241 0.000 1.164 967 A CA 1.787 53.678 52.037 -0.244 0.000 0.643 967 A CB -0.648 18.153 19.000 -0.333 0.000 0.806 967 A HN 0.504 nan 8.150 nan 0.000 0.451 968 D N 0.417 120.793 120.400 -0.039 0.000 2.078 968 D HA -0.213 4.404 4.640 -0.037 0.000 0.193 968 D C 2.254 178.550 176.300 -0.006 0.000 0.990 968 D CA 1.778 55.809 54.000 0.051 0.000 0.827 968 D CB -0.152 40.718 40.800 0.116 0.000 0.975 968 D HN 0.663 nan 8.370 nan 0.000 0.451 969 R N 0.845 121.334 120.500 -0.018 0.000 2.096 969 R HA -0.072 4.246 4.340 -0.037 0.000 0.235 969 R C 2.338 178.604 176.300 -0.057 0.000 1.127 969 R CA 1.120 57.205 56.100 -0.026 0.000 0.968 969 R CB -0.392 29.893 30.300 -0.025 0.000 0.861 969 R HN 0.053 nan 8.270 nan 0.000 0.440 970 K N 0.536 120.878 120.400 -0.098 0.000 2.152 970 K HA -0.126 4.171 4.320 -0.037 0.000 0.206 970 K C 2.004 178.525 176.600 -0.132 0.000 1.048 970 K CA 1.247 57.458 56.287 -0.126 0.000 0.933 970 K CB -0.208 32.188 32.500 -0.174 0.000 0.721 970 K HN 0.140 nan 8.250 nan 0.000 0.447 971 L N 0.991 122.129 121.223 -0.142 0.000 2.141 971 L HA -0.113 4.204 4.340 -0.037 0.000 0.209 971 L C 1.937 178.787 176.870 -0.033 0.000 1.094 971 L CA 1.175 55.950 54.840 -0.107 0.000 0.763 971 L CB -0.270 41.757 42.059 -0.054 0.000 0.908 971 L HN 0.060 nan 8.230 nan 0.000 0.437 972 L N -0.738 120.474 121.223 -0.019 0.000 2.093 972 L HA -0.189 4.128 4.340 -0.037 0.000 0.208 972 L C 2.478 179.344 176.870 -0.007 0.000 1.085 972 L CA 1.654 56.496 54.840 0.003 0.000 0.755 972 L CB -0.575 41.487 42.059 0.005 0.000 0.904 972 L HN 0.398 nan 8.230 nan 0.000 0.435 973 Q N -0.477 119.303 119.800 -0.033 0.000 2.061 973 Q HA -0.233 4.084 4.340 -0.037 0.000 0.204 973 Q C 2.264 178.243 176.000 -0.035 0.000 0.984 973 Q CA 2.201 57.977 55.803 -0.045 0.000 0.846 973 Q CB -0.320 28.377 28.738 -0.068 0.000 0.902 973 Q HN 0.568 nan 8.270 nan 0.000 0.421 974 I N 0.782 121.331 120.570 -0.035 0.000 2.335 974 I HA -0.259 3.889 4.170 -0.037 0.000 0.251 974 I C 2.334 178.480 176.117 0.049 0.000 1.129 974 I CA 0.958 62.252 61.300 -0.011 0.000 1.402 974 I CB -0.353 37.625 38.000 -0.036 0.000 1.069 974 I HN 0.237 nan 8.210 nan 0.000 0.424 975 E N 0.660 120.891 120.200 0.050 0.000 2.046 975 E HA -0.211 4.117 4.350 -0.037 0.000 0.190 975 E C 2.220 178.900 176.600 0.134 0.000 0.982 975 E CA 1.237 57.701 56.400 0.106 0.000 0.800 975 E CB -0.091 29.656 29.700 0.078 0.000 0.756 975 E HN 0.474 nan 8.360 nan 0.000 0.449 976 Q N 0.405 120.245 119.800 0.067 0.000 2.096 976 Q HA -0.082 4.236 4.340 -0.037 0.000 0.204 976 Q C 1.952 177.982 176.000 0.050 0.000 0.982 976 Q CA 1.750 57.582 55.803 0.048 0.000 0.850 976 Q CB -0.353 28.385 28.738 0.000 0.000 0.901 976 Q HN 0.265 nan 8.270 nan 0.000 0.422 977 A N -0.983 121.848 122.820 0.019 0.000 2.125 977 A HA -0.178 4.119 4.320 -0.037 0.000 0.219 977 A C 1.701 179.403 177.584 0.196 0.000 1.156 977 A CA 1.199 53.227 52.037 -0.015 0.000 0.671 977 A CB -0.466 18.495 19.000 -0.066 0.000 0.794 977 A HN 0.530 nan 8.150 nan 0.000 0.459 978 Y N -0.321 120.027 120.300 0.079 0.000 2.396 978 Y HA 0.099 4.627 4.550 -0.037 0.000 0.292 978 Y C 2.096 178.061 175.900 0.108 0.000 1.128 978 Y CA 1.211 59.374 58.100 0.105 0.000 1.194 978 Y CB -0.193 38.313 38.460 0.077 0.000 1.124 978 Y HN 0.413 nan 8.280 nan 0.000 0.543 979 E N -0.271 120.005 120.200 0.128 0.000 2.219 979 E HA -0.219 4.109 4.350 -0.037 0.000 0.198 979 E C 1.748 178.339 176.600 -0.015 0.000 0.998 979 E CA 1.533 57.948 56.400 0.025 0.000 0.818 979 E CB 0.006 29.759 29.700 0.088 0.000 0.741 979 E HN 0.396 nan 8.360 nan 0.000 0.477 980 M N -1.390 118.254 119.600 0.074 0.000 2.216 980 M HA 0.094 4.552 4.480 -0.037 0.000 0.264 980 M C 1.793 178.106 176.300 0.022 0.000 1.080 980 M CA 1.577 56.957 55.300 0.133 0.000 1.153 980 M CB -0.036 32.811 32.600 0.412 0.000 1.356 980 M HN 0.349 nan 8.290 nan 0.000 0.432 981 G N -1.355 107.453 108.800 0.013 0.000 2.155 981 G HA2 -0.176 3.762 3.960 -0.037 0.000 0.130 981 G HA3 -0.176 3.762 3.960 -0.037 0.000 0.130 981 G C 0.481 175.331 174.900 -0.084 0.000 1.027 981 G CA -0.306 44.722 45.100 -0.120 0.000 0.705 981 G HN 0.271 nan 8.290 nan 0.000 0.496 982 F N 0.659 120.591 119.950 -0.029 0.000 2.098 982 F HA 0.372 4.877 4.527 -0.037 0.000 0.294 982 F C 1.803 177.628 175.800 0.041 0.000 1.107 982 F CA 1.069 59.075 58.000 0.010 0.000 1.234 982 F CB -0.109 38.905 39.000 0.024 0.000 1.002 982 F HN 0.113 nan 8.300 nan 0.000 0.472 983 L N -0.350 121.061 121.223 0.313 0.000 2.357 983 L HA 0.336 4.654 4.340 -0.037 0.000 0.273 983 L C 0.516 177.543 176.870 0.262 0.000 1.080 983 L CA -0.549 54.446 54.840 0.258 0.000 0.803 983 L CB 0.991 43.212 42.059 0.270 0.000 1.174 983 L HN -0.180 nan 8.230 nan 0.000 0.443 984 T N -0.478 114.195 114.554 0.198 0.000 2.868 984 T HA -0.028 4.300 4.350 -0.037 0.000 0.292 984 T C 0.934 175.799 174.700 0.275 0.000 1.028 984 T CA -0.195 62.021 62.100 0.192 0.000 1.059 984 T CB 0.939 69.878 68.868 0.118 0.000 0.991 984 T HN 0.808 nan 8.240 nan 0.000 0.531 985 D N 1.087 121.667 120.400 0.299 0.000 2.191 985 D HA -0.158 4.460 4.640 -0.037 0.000 0.195 985 D C 2.121 178.481 176.300 0.100 0.000 1.003 985 D CA 1.553 55.706 54.000 0.256 0.000 0.867 985 D CB 0.110 41.019 40.800 0.181 0.000 0.926 985 D HN 0.454 nan 8.370 nan 0.000 0.450 986 R N 0.518 121.083 120.500 0.107 0.000 2.062 986 R HA 0.028 4.345 4.340 -0.037 0.000 0.226 986 R C 2.116 178.504 176.300 0.147 0.000 1.125 986 R CA 1.463 57.630 56.100 0.113 0.000 0.966 986 R CB -0.313 30.043 30.300 0.093 0.000 0.861 986 R HN 0.203 nan 8.270 nan 0.000 0.433 987 E N 0.244 120.519 120.200 0.125 0.000 2.065 987 E HA -0.306 4.022 4.350 -0.037 0.000 0.201 987 E C 1.952 178.606 176.600 0.091 0.000 1.016 987 E CA 1.374 57.839 56.400 0.107 0.000 0.818 987 E CB -0.250 29.520 29.700 0.117 0.000 0.749 987 E HN 0.134 nan 8.360 nan 0.000 0.453 988 R N 0.663 121.214 120.500 0.085 0.000 2.136 988 R HA -0.243 4.075 4.340 -0.037 0.000 0.242 988 R C 2.218 178.540 176.300 0.037 0.000 1.131 988 R CA 2.041 58.145 56.100 0.006 0.000 0.937 988 R CB -1.071 29.098 30.300 -0.219 0.000 0.863 988 R HN 0.307 nan 8.270 nan 0.000 0.435 989 Y N 1.877 122.136 120.300 -0.069 0.000 2.006 989 Y HA -0.269 4.259 4.550 -0.037 0.000 0.266 989 Y C 1.985 177.886 175.900 0.002 0.000 1.133 989 Y CA 2.528 60.610 58.100 -0.031 0.000 1.098 989 Y CB -0.921 37.523 38.460 -0.028 0.000 0.969 989 Y HN 0.247 nan 8.280 nan 0.000 0.482 990 D N -0.344 120.026 120.400 -0.051 0.000 2.190 990 D HA -0.228 4.390 4.640 -0.037 0.000 0.200 990 D C 2.106 178.338 176.300 -0.113 0.000 0.992 990 D CA 1.868 55.781 54.000 -0.146 0.000 0.854 990 D CB -0.231 40.570 40.800 0.001 0.000 0.936 990 D HN 0.577 nan 8.370 nan 0.000 0.462 991 Q N -0.399 119.365 119.800 -0.059 0.000 2.123 991 Q HA -0.006 4.312 4.340 -0.037 0.000 0.199 991 Q C 2.236 178.176 176.000 -0.100 0.000 0.966 991 Q CA 0.528 56.294 55.803 -0.061 0.000 0.845 991 Q CB 0.147 28.868 28.738 -0.029 0.000 0.907 991 Q HN 0.385 nan 8.270 nan 0.000 0.439 992 I N 0.740 121.252 120.570 -0.096 0.000 2.133 992 I HA -0.305 3.842 4.170 -0.037 0.000 0.238 992 I C 2.158 178.225 176.117 -0.083 0.000 1.074 992 I CA 1.167 62.407 61.300 -0.101 0.000 1.342 992 I CB -0.360 37.642 38.000 0.004 0.000 1.053 992 I HN 0.215 nan 8.210 nan 0.000 0.404 993 L N 0.140 121.313 121.223 -0.083 0.000 2.051 993 L HA -0.305 4.013 4.340 -0.037 0.000 0.214 993 L C 2.653 179.523 176.870 0.001 0.000 1.076 993 L CA 1.530 56.357 54.840 -0.021 0.000 0.758 993 L CB -0.998 40.928 42.059 -0.221 0.000 0.890 993 L HN 0.328 nan 8.230 nan 0.000 0.433 994 Q N 0.834 120.592 119.800 -0.069 0.000 1.998 994 Q HA -0.282 4.035 4.340 -0.037 0.000 0.209 994 Q C 2.128 178.092 176.000 -0.060 0.000 1.002 994 Q CA 2.307 58.078 55.803 -0.054 0.000 0.858 994 Q CB -0.721 27.976 28.738 -0.069 0.000 0.932 994 Q HN 0.344 nan 8.270 nan 0.000 0.416 995 L N -0.452 120.680 121.223 -0.153 0.000 2.010 995 L HA -0.211 4.107 4.340 -0.037 0.000 0.219 995 L C 2.033 178.771 176.870 -0.220 0.000 1.077 995 L CA 2.353 57.032 54.840 -0.268 0.000 0.773 995 L CB -0.990 40.778 42.059 -0.486 0.000 0.892 995 L HN 0.523 nan 8.230 nan 0.000 0.436 996 W N -0.539 120.752 121.300 -0.016 0.000 2.354 996 W HA -0.222 4.416 4.660 -0.038 0.000 0.315 996 W C 2.532 179.053 176.519 0.004 0.000 1.206 996 W CA 1.427 58.771 57.345 -0.002 0.000 1.290 996 W CB -0.906 28.549 29.460 -0.008 0.000 1.152 996 W HN 0.066 nan 8.180 nan 0.000 0.489 997 T N 0.543 115.236 114.554 0.233 0.000 2.721 997 T HA -0.282 4.046 4.350 -0.037 0.000 0.268 997 T C 1.197 175.964 174.700 0.111 0.000 1.038 997 T CA 2.023 64.204 62.100 0.136 0.000 1.145 997 T CB -0.380 68.532 68.868 0.073 0.000 0.858 997 T HN 0.331 nan 8.240 nan 0.000 0.459 998 E N 0.511 120.761 120.200 0.083 0.000 2.016 998 E HA -0.065 4.263 4.350 -0.037 0.000 0.190 998 E C 2.608 179.275 176.600 0.112 0.000 0.985 998 E CA 1.350 57.788 56.400 0.063 0.000 0.802 998 E CB -0.416 29.288 29.700 0.007 0.000 0.762 998 E HN 0.337 nan 8.360 nan 0.000 0.448 999 T N 1.062 115.694 114.554 0.130 0.000 2.685 999 T HA -0.207 4.121 4.350 -0.037 0.000 0.268 999 T C 2.021 176.883 174.700 0.271 0.000 1.034 999 T CA 1.887 64.118 62.100 0.219 0.000 1.149 999 T CB -0.555 68.466 68.868 0.255 0.000 0.860 999 T HN 0.180 nan 8.240 nan 0.000 0.449 1000 T N 1.438 116.148 114.554 0.261 0.000 2.595 1000 T HA -0.155 4.172 4.350 -0.037 0.000 0.264 1000 T C 1.965 176.751 174.700 0.144 0.000 1.058 1000 T CA 1.700 63.911 62.100 0.186 0.000 1.166 1000 T CB -0.472 68.485 68.868 0.149 0.000 0.863 1000 T HN 0.416 nan 8.240 nan 0.000 0.415 1001 E N 1.162 121.437 120.200 0.125 0.000 2.273 1001 E HA -0.153 4.174 4.350 -0.037 0.000 0.198 1001 E C 1.946 178.616 176.600 0.118 0.000 1.002 1001 E CA 1.398 57.858 56.400 0.100 0.000 0.828 1001 E CB -0.146 29.600 29.700 0.076 0.000 0.747 1001 E HN 0.448 nan 8.360 nan 0.000 0.491 1002 K N -0.626 119.874 120.400 0.166 0.000 1.984 1002 K HA -0.055 4.243 4.320 -0.037 0.000 0.209 1002 K C 2.132 178.801 176.600 0.116 0.000 1.046 1002 K CA 1.471 57.900 56.287 0.236 0.000 0.934 1002 K CB -0.256 32.505 32.500 0.434 0.000 0.717 1002 K HN 0.012 nan 8.250 nan 0.000 0.438 1003 V N 1.837 121.785 119.914 0.057 0.000 2.392 1003 V HA -0.257 3.840 4.120 -0.037 0.000 0.249 1003 V C 2.171 178.278 176.094 0.023 0.000 1.059 1003 V CA 2.096 64.340 62.300 -0.093 0.000 1.051 1003 V CB -0.848 30.958 31.823 -0.029 0.000 0.658 1003 V HN 0.433 nan 8.190 nan 0.000 0.455 1004 T N -0.501 114.120 114.554 0.112 0.000 2.635 1004 T HA -0.356 3.971 4.350 -0.037 0.000 0.267 1004 T C 1.905 176.781 174.700 0.294 0.000 1.040 1004 T CA 2.165 64.398 62.100 0.222 0.000 1.156 1004 T CB -0.302 68.668 68.868 0.171 0.000 0.863 1004 T HN 0.554 nan 8.240 nan 0.000 0.430 1005 Q N 0.315 120.205 119.800 0.149 0.000 2.291 1005 Q HA 0.008 4.325 4.340 -0.037 0.000 0.205 1005 Q C 2.350 178.442 176.000 0.155 0.000 0.970 1005 Q CA 1.005 56.887 55.803 0.132 0.000 0.876 1005 Q CB -0.227 28.552 28.738 0.068 0.000 0.935 1005 Q HN 0.568 nan 8.270 nan 0.000 0.455 1006 A N 0.198 123.051 122.820 0.055 0.000 1.873 1006 A HA -0.141 4.157 4.320 -0.037 0.000 0.215 1006 A C 2.168 179.742 177.584 -0.016 0.000 1.186 1006 A CA 1.541 53.537 52.037 -0.069 0.000 0.616 1006 A CB -1.105 17.682 19.000 -0.355 0.000 0.823 1006 A HN 0.439 nan 8.150 nan 0.000 0.442 1007 V N -2.940 117.004 119.914 0.050 0.000 2.343 1007 V HA -0.215 3.883 4.120 -0.037 0.000 0.247 1007 V C 2.222 178.370 176.094 0.089 0.000 1.051 1007 V CA 2.242 64.539 62.300 -0.005 0.000 1.036 1007 V CB -1.254 30.605 31.823 0.060 0.000 0.654 1007 V HN 0.348 nan 8.190 nan 0.000 0.451 1008 F N 0.985 121.066 119.950 0.219 0.000 2.134 1008 F HA -0.004 4.500 4.527 -0.039 0.000 0.299 1008 F C 2.632 178.519 175.800 0.146 0.000 1.097 1008 F CA 2.275 60.479 58.000 0.340 0.000 1.264 1008 F CB -0.640 38.531 39.000 0.285 0.000 1.001 1008 F HN 0.085 nan 8.300 nan 0.000 0.479 1009 K N 0.112 120.666 120.400 0.257 0.000 2.152 1009 K HA -0.226 4.072 4.320 -0.037 0.000 0.206 1009 K C 2.108 178.687 176.600 -0.036 0.000 1.048 1009 K CA 1.146 57.493 56.287 0.100 0.000 0.933 1009 K CB -0.278 32.260 32.500 0.062 0.000 0.721 1009 K HN 0.186 nan 8.250 nan 0.000 0.447 1010 N N 0.289 118.903 118.700 -0.143 0.000 2.080 1010 N HA -0.146 4.571 4.740 -0.037 0.000 0.189 1010 N C 1.681 176.944 175.510 -0.412 0.000 1.036 1010 N CA 1.473 54.322 53.050 -0.336 0.000 0.846 1010 N CB -0.098 38.092 38.487 -0.496 0.000 1.015 1010 N HN 0.013 nan 8.380 nan 0.000 0.423 1011 F N 1.805 121.580 119.950 -0.292 0.000 2.075 1011 F HA -0.082 4.421 4.527 -0.039 0.000 0.297 1011 F C 2.703 178.153 175.800 -0.583 0.000 1.113 1011 F CA 1.246 58.930 58.000 -0.528 0.000 1.218 1011 F CB -0.884 37.478 39.000 -1.064 0.000 0.984 1011 F HN 0.191 nan 8.300 nan 0.000 0.472 1012 E N 0.136 120.187 120.200 -0.248 0.000 2.160 1012 E HA -0.235 4.093 4.350 -0.037 0.000 0.195 1012 E C 1.834 178.434 176.600 0.000 0.000 0.991 1012 E CA 1.604 57.987 56.400 -0.028 0.000 0.810 1012 E CB -0.030 29.769 29.700 0.166 0.000 0.742 1012 E HN 0.566 nan 8.360 nan 0.000 0.466 1013 E N -0.587 119.576 120.200 -0.061 0.000 2.079 1013 E HA -0.041 4.287 4.350 -0.037 0.000 0.191 1013 E C 1.901 178.438 176.600 -0.105 0.000 0.961 1013 E CA 0.609 56.971 56.400 -0.064 0.000 0.823 1013 E CB 0.128 29.776 29.700 -0.085 0.000 0.789 1013 E HN 0.249 nan 8.360 nan 0.000 0.459 1014 N N 0.010 118.568 118.700 -0.235 0.000 2.322 1014 N HA -0.043 4.675 4.740 -0.037 0.000 0.186 1014 N C 0.103 175.478 175.510 -0.224 0.000 1.037 1014 N CA 0.844 53.675 53.050 -0.364 0.000 0.869 1014 N CB -0.038 37.998 38.487 -0.753 0.000 1.036 1014 N HN 0.086 nan 8.380 nan 0.000 0.439 1015 Y N 1.159 121.461 120.300 0.002 0.000 2.931 1015 Y HA 0.387 4.912 4.550 -0.041 0.000 0.330 1015 Y C -1.665 174.333 175.900 0.165 0.000 1.115 1015 Y CA -2.886 55.284 58.100 0.117 0.000 1.283 1015 Y CB 0.800 39.363 38.460 0.173 0.000 1.215 1015 Y HN 0.086 nan 8.280 nan 0.000 0.534 1016 P HA -0.095 nan 4.420 nan 0.000 0.223 1016 P C 0.313 177.949 177.300 0.562 0.000 1.151 1016 P CA 1.342 64.712 63.100 0.450 0.000 0.787 1016 P CB 0.144 32.155 31.700 0.518 0.000 0.788 1017 F N -1.072 119.060 119.950 0.304 0.000 2.850 1017 F HA 0.231 4.723 4.527 -0.059 0.000 0.306 1017 F C 0.905 176.856 175.800 0.252 0.000 1.162 1017 F CA -1.332 56.847 58.000 0.297 0.000 1.327 1017 F CB -0.752 38.399 39.000 0.251 0.000 0.953 1017 F HN -0.131 nan 8.300 nan 0.000 0.507 1018 N N 2.009 120.952 118.700 0.404 0.000 2.492 1018 N HA 0.023 4.741 4.740 -0.037 0.000 0.262 1018 N C -1.830 173.770 175.510 0.149 0.000 1.202 1018 N CA -1.087 52.114 53.050 0.253 0.000 0.926 1018 N CB 1.622 40.321 38.487 0.354 0.000 1.078 1018 N HN -0.021 nan 8.380 nan 0.000 0.454 1019 P HA -0.201 nan 4.420 nan 0.000 0.208 1019 P C 1.697 178.970 177.300 -0.045 0.000 1.180 1019 P CA 0.875 63.989 63.100 0.025 0.000 0.935 1019 P CB 0.056 31.760 31.700 0.006 0.000 0.785 1020 L N -1.659 119.515 121.223 -0.082 0.000 2.051 1020 L HA -0.230 4.088 4.340 -0.037 0.000 0.214 1020 L C 2.493 179.203 176.870 -0.266 0.000 1.076 1020 L CA 1.874 56.619 54.840 -0.158 0.000 0.758 1020 L CB -1.617 40.350 42.059 -0.153 0.000 0.890 1020 L HN -0.017 nan 8.230 nan 0.000 0.433 1021 Y N -1.264 118.705 120.300 -0.551 0.000 2.242 1021 Y HA -0.187 4.338 4.550 -0.042 0.000 0.291 1021 Y C 2.231 177.928 175.900 -0.338 0.000 1.137 1021 Y CA 1.957 59.671 58.100 -0.643 0.000 1.181 1021 Y CB -0.246 37.651 38.460 -0.937 0.000 0.989 1021 Y HN 0.017 nan 8.280 nan 0.000 0.527 1022 V N 0.858 120.617 119.914 -0.259 0.000 2.343 1022 V HA -0.377 3.720 4.120 -0.037 0.000 0.247 1022 V C 2.377 178.182 176.094 -0.482 0.000 1.051 1022 V CA 2.344 64.418 62.300 -0.377 0.000 1.036 1022 V CB -0.687 31.049 31.823 -0.145 0.000 0.654 1022 V HN 0.500 nan 8.190 nan 0.000 0.451 1023 M N -0.256 119.159 119.600 -0.309 0.000 2.149 1023 M HA -0.185 4.273 4.480 -0.037 0.000 0.261 1023 M C 2.330 178.460 176.300 -0.283 0.000 1.064 1023 M CA 2.148 57.293 55.300 -0.258 0.000 1.102 1023 M CB -0.550 31.956 32.600 -0.157 0.000 1.369 1023 M HN 0.440 nan 8.290 nan 0.000 0.408 1024 A N -0.141 122.497 122.820 -0.304 0.000 1.840 1024 A HA -0.149 4.149 4.320 -0.037 0.000 0.214 1024 A C 2.102 179.518 177.584 -0.280 0.000 1.198 1024 A CA 1.102 52.999 52.037 -0.234 0.000 0.608 1024 A CB -0.629 18.267 19.000 -0.173 0.000 0.839 1024 A HN 0.416 nan 8.150 nan 0.000 0.443 1025 Q N 0.971 120.503 119.800 -0.447 0.000 2.045 1025 Q HA -0.109 4.208 4.340 -0.037 0.000 0.206 1025 Q C 1.584 177.357 176.000 -0.379 0.000 0.991 1025 Q CA 1.329 56.892 55.803 -0.401 0.000 0.851 1025 Q CB -1.014 27.391 28.738 -0.555 0.000 0.911 1025 Q HN 0.735 nan 8.270 nan 0.000 0.418 1026 S N -0.551 114.755 115.700 -0.657 0.000 2.576 1026 S HA 0.185 4.633 4.470 -0.037 0.000 0.272 1026 S C 1.389 175.814 174.600 -0.292 0.000 1.352 1026 S CA -0.103 57.716 58.200 -0.635 0.000 1.021 1026 S CB 1.014 63.561 63.200 -1.087 0.000 0.887 1026 S HN 0.362 nan 8.310 nan 0.000 0.542 1027 G N 1.184 109.895 108.800 -0.149 0.000 2.479 1027 G HA2 0.022 3.960 3.960 -0.037 0.000 0.220 1027 G HA3 0.022 3.960 3.960 -0.037 0.000 0.220 1027 G C 1.352 176.204 174.900 -0.079 0.000 1.115 1027 G CA 0.865 45.917 45.100 -0.080 0.000 0.757 1027 G HN 1.231 nan 8.290 nan 0.000 0.560 1028 A N 0.504 123.260 122.820 -0.106 0.000 2.631 1028 A HA 0.001 4.298 4.320 -0.037 0.000 0.219 1028 A C 1.404 178.953 177.584 -0.058 0.000 1.306 1028 A CA 2.322 54.314 52.037 -0.076 0.000 1.012 1028 A CB -0.352 18.573 19.000 -0.125 0.000 0.726 1028 A HN 0.648 nan 8.150 nan 0.000 0.541 1029 R N -2.615 117.835 120.500 -0.084 0.000 2.594 1029 R HA 0.515 4.833 4.340 -0.037 0.000 0.265 1029 R C -0.727 175.527 176.300 -0.076 0.000 1.070 1029 R CA 0.674 56.738 56.100 -0.060 0.000 0.909 1029 R CB 1.297 31.573 30.300 -0.039 0.000 1.243 1029 R HN 2.242 nan 8.270 nan 0.000 0.455 1030 G N 3.131 111.900 108.800 -0.052 0.000 3.326 1030 G HA2 -0.000 3.938 3.960 -0.037 0.000 0.681 1030 G HA3 -0.000 3.938 3.960 -0.037 0.000 0.681 1030 G C -1.890 173.002 174.900 -0.013 0.000 1.255 1030 G CA -0.570 44.504 45.100 -0.044 0.000 0.976 1030 G HN 0.666 nan 8.290 nan 0.000 0.563 1031 N N 3.094 121.804 118.700 0.018 0.000 2.443 1031 N HA 0.564 5.282 4.740 -0.037 0.000 0.295 1031 N C -1.105 174.474 175.510 0.116 0.000 1.076 1031 N CA -1.965 51.113 53.050 0.046 0.000 0.919 1031 N CB 2.438 40.944 38.487 0.033 0.000 1.176 1031 N HN 0.087 nan 8.380 nan 0.000 0.487 1032 P HA -0.163 nan 4.420 nan 0.000 0.215 1032 P C 0.848 178.301 177.300 0.256 0.000 1.163 1032 P CA 1.869 65.150 63.100 0.301 0.000 0.894 1032 P CB 0.369 32.105 31.700 0.060 0.000 0.791 1033 Q N -0.591 119.291 119.800 0.136 0.000 2.077 1033 Q HA -0.225 4.093 4.340 -0.037 0.000 0.206 1033 Q C 2.340 178.413 176.000 0.121 0.000 0.989 1033 Q CA 1.748 57.619 55.803 0.113 0.000 0.853 1033 Q CB -0.936 27.843 28.738 0.068 0.000 0.907 1033 Q HN 0.382 nan 8.270 nan 0.000 0.418 1034 Q N -0.359 119.504 119.800 0.106 0.000 2.014 1034 Q HA -0.193 4.125 4.340 -0.037 0.000 0.207 1034 Q C 1.983 178.055 176.000 0.120 0.000 0.993 1034 Q CA 1.435 57.299 55.803 0.101 0.000 0.850 1034 Q CB -0.263 28.511 28.738 0.061 0.000 0.916 1034 Q HN 0.342 nan 8.270 nan 0.000 0.417 1035 I N 0.756 121.391 120.570 0.108 0.000 2.113 1035 I HA -0.378 3.770 4.170 -0.037 0.000 0.242 1035 I C 2.441 178.627 176.117 0.116 0.000 1.057 1035 I CA 1.806 63.148 61.300 0.071 0.000 1.314 1035 I CB -1.252 36.739 38.000 -0.014 0.000 1.022 1035 I HN 0.358 nan 8.210 nan 0.000 0.408 1036 R N 0.899 121.501 120.500 0.169 0.000 2.119 1036 R HA -0.232 4.085 4.340 -0.037 0.000 0.246 1036 R C 2.211 178.572 176.300 0.101 0.000 1.146 1036 R CA 1.763 57.956 56.100 0.156 0.000 0.962 1036 R CB -0.133 30.266 30.300 0.165 0.000 0.863 1036 R HN 0.506 nan 8.270 nan 0.000 0.442 1037 Q N -0.155 119.714 119.800 0.115 0.000 2.226 1037 Q HA -0.161 4.156 4.340 -0.037 0.000 0.204 1037 Q C 1.990 178.091 176.000 0.168 0.000 0.975 1037 Q CA 1.072 56.931 55.803 0.093 0.000 0.866 1037 Q CB 0.021 28.895 28.738 0.227 0.000 0.915 1037 Q HN 0.315 nan 8.270 nan 0.000 0.440 1038 L N -0.858 120.501 121.223 0.226 0.000 2.121 1038 L HA -0.067 4.250 4.340 -0.037 0.000 0.200 1038 L C 2.458 179.415 176.870 0.145 0.000 1.077 1038 L CA 1.240 56.227 54.840 0.244 0.000 0.766 1038 L CB -1.028 41.138 42.059 0.178 0.000 0.931 1038 L HN 0.162 nan 8.230 nan 0.000 0.452 1039 C N -0.649 118.723 119.300 0.120 0.000 2.587 1039 C HA 0.180 4.618 4.460 -0.037 0.000 0.282 1039 C C 2.618 177.636 174.990 0.048 0.000 1.277 1039 C CA 0.254 59.330 59.018 0.096 0.000 1.702 1039 C CB -1.518 26.302 27.740 0.135 0.000 2.113 1039 C HN 0.618 nan 8.230 nan 0.000 0.490 1040 G N 0.372 109.200 108.800 0.047 0.000 2.688 1040 G HA2 0.360 4.298 3.960 -0.037 0.000 0.211 1040 G HA3 0.360 4.298 3.960 -0.037 0.000 0.211 1040 G C 0.128 175.024 174.900 -0.008 0.000 1.399 1040 G CA 1.313 46.424 45.100 0.018 0.000 0.901 1040 G HN 0.813 nan 8.290 nan 0.000 0.555 1041 L N -2.513 118.700 121.223 -0.017 0.000 2.940 1041 L HA 0.467 4.784 4.340 -0.037 0.000 0.247 1041 L C -0.994 175.819 176.870 -0.095 0.000 0.970 1041 L CA -1.279 53.511 54.840 -0.083 0.000 1.003 1041 L CB 1.451 43.455 42.059 -0.092 0.000 1.552 1041 L HN 0.525 nan 8.230 nan 0.000 0.432 1042 R N 1.420 121.812 120.500 -0.180 0.000 2.234 1042 R HA 0.628 4.945 4.340 -0.037 0.000 0.324 1042 R C 0.154 176.350 176.300 -0.173 0.000 1.054 1042 R CA 0.038 56.038 56.100 -0.167 0.000 0.912 1042 R CB 1.565 31.710 30.300 -0.257 0.000 1.030 1042 R HN 0.884 nan 8.270 nan 0.000 0.455 1043 G N 3.457 112.181 108.800 -0.126 0.000 2.763 1043 G HA2 0.087 4.025 3.960 -0.037 0.000 0.205 1043 G HA3 0.087 4.025 3.960 -0.037 0.000 0.205 1043 G C -0.014 174.785 174.900 -0.168 0.000 1.137 1043 G CA -0.316 44.679 45.100 -0.175 0.000 0.839 1043 G HN 0.413 nan 8.290 nan 0.000 0.596 1044 L N 2.259 123.435 121.223 -0.077 0.000 2.318 1044 L HA 0.527 4.844 4.340 -0.037 0.000 0.277 1044 L C -0.778 176.102 176.870 0.016 0.000 1.008 1044 L CA -0.566 54.257 54.840 -0.029 0.000 0.846 1044 L CB 1.800 43.874 42.059 0.025 0.000 1.220 1044 L HN 0.045 nan 8.230 nan 0.000 0.423 1045 M N 3.425 123.044 119.600 0.031 0.000 2.363 1045 M HA 0.379 4.837 4.480 -0.037 0.000 0.343 1045 M C -0.140 176.349 176.300 0.315 0.000 1.165 1045 M CA -0.482 54.873 55.300 0.091 0.000 1.046 1045 M CB 1.686 34.277 32.600 -0.014 0.000 1.648 1045 M HN 0.505 nan 8.290 nan 0.000 0.452 1046 Q N 1.542 121.503 119.800 0.269 0.000 2.256 1046 Q HA 0.512 4.830 4.340 -0.037 0.000 0.232 1046 Q C -0.558 175.643 176.000 0.333 0.000 0.965 1046 Q CA -0.807 55.156 55.803 0.266 0.000 0.908 1046 Q CB 1.443 30.246 28.738 0.107 0.000 1.209 1046 Q HN 0.451 nan 8.270 nan 0.000 0.489 1047 K N 0.396 120.737 120.400 -0.099 0.000 2.140 1047 K HA 0.114 4.411 4.320 -0.037 0.000 0.237 1047 K C -1.710 174.821 176.600 -0.114 0.000 1.045 1047 K CA -1.554 54.529 56.287 -0.339 0.000 0.896 1047 K CB -0.049 32.004 32.500 -0.745 0.000 1.122 1047 K HN 0.362 nan 8.250 nan 0.000 0.503 1048 P HA -0.255 nan 4.420 nan 0.000 0.213 1048 P C 1.371 178.625 177.300 -0.077 0.000 1.170 1048 P CA 1.827 64.861 63.100 -0.110 0.000 0.902 1048 P CB 0.032 31.644 31.700 -0.147 0.000 0.789 1049 S N -1.713 113.926 115.700 -0.101 0.000 2.398 1049 S HA -0.100 4.347 4.470 -0.037 0.000 0.220 1049 S C 1.945 176.512 174.600 -0.055 0.000 1.038 1049 S CA 1.820 59.975 58.200 -0.075 0.000 1.080 1049 S CB -1.473 61.674 63.200 -0.089 0.000 1.039 1049 S HN 0.336 nan 8.310 nan 0.000 0.419 1050 G N 1.149 109.912 108.800 -0.062 0.000 4.062 1050 G HA2 0.048 3.985 3.960 -0.037 0.000 0.171 1050 G HA3 0.048 3.985 3.960 -0.037 0.000 0.171 1050 G C -0.442 174.448 174.900 -0.017 0.000 0.858 1050 G CA -0.112 44.972 45.100 -0.027 0.000 0.924 1050 G HN 0.651 nan 8.290 nan 0.000 0.359 1051 E N 3.379 123.558 120.200 -0.035 0.000 2.734 1051 E HA 0.261 4.588 4.350 -0.037 0.000 0.235 1051 E C 0.529 177.129 176.600 -0.001 0.000 1.107 1051 E CA 0.482 56.889 56.400 0.013 0.000 0.951 1051 E CB -0.522 29.144 29.700 -0.057 0.000 0.955 1051 E HN 0.379 nan 8.360 nan 0.000 0.515 1052 T N 1.487 116.095 114.554 0.091 0.000 2.939 1052 T HA 0.008 4.336 4.350 -0.037 0.000 0.319 1052 T C 0.204 175.002 174.700 0.162 0.000 1.082 1052 T CA -0.549 61.622 62.100 0.118 0.000 1.133 1052 T CB 0.199 69.137 68.868 0.116 0.000 1.019 1052 T HN 0.298 nan 8.240 nan 0.000 0.548 1053 F N 0.844 120.864 119.950 0.116 0.000 2.535 1053 F HA 0.200 4.705 4.527 -0.037 0.000 0.332 1053 F C 1.944 177.842 175.800 0.164 0.000 1.208 1053 F CA -0.219 57.862 58.000 0.135 0.000 1.330 1053 F CB 0.357 39.405 39.000 0.079 0.000 1.167 1053 F HN 0.864 nan 8.300 nan 0.000 0.597 1054 E N 0.145 120.590 120.200 0.409 0.000 2.190 1054 E HA 0.041 4.368 4.350 -0.037 0.000 0.191 1054 E C -0.360 176.387 176.600 0.244 0.000 0.978 1054 E CA 0.355 56.951 56.400 0.326 0.000 0.839 1054 E CB 0.393 30.291 29.700 0.329 0.000 0.787 1054 E HN 0.304 nan 8.360 nan 0.000 0.473 1055 V N 3.771 123.805 119.914 0.200 0.000 2.439 1055 V HA 0.299 4.397 4.120 -0.037 0.000 0.282 1055 V C -2.089 173.923 176.094 -0.138 0.000 1.039 1055 V CA -1.586 60.736 62.300 0.037 0.000 0.913 1055 V CB 1.104 32.950 31.823 0.038 0.000 0.983 1055 V HN 0.218 nan 8.190 nan 0.000 0.460 1056 P HA 0.385 nan 4.420 nan 0.000 0.284 1056 P C -0.871 176.186 177.300 -0.405 0.000 1.287 1056 P CA -0.622 62.166 63.100 -0.521 0.000 0.824 1056 P CB 1.197 32.270 31.700 -1.046 0.000 1.180 1057 V N 2.124 121.830 119.914 -0.346 0.000 2.258 1057 V HA 0.200 4.298 4.120 -0.037 0.000 0.258 1057 V C 1.642 177.573 176.094 -0.272 0.000 1.121 1057 V CA -0.228 61.904 62.300 -0.280 0.000 0.942 1057 V CB -0.359 31.307 31.823 -0.263 0.000 1.170 1057 V HN 0.423 nan 8.190 nan 0.000 0.487 1058 R N 1.256 121.600 120.500 -0.259 0.000 2.226 1058 R HA -0.086 4.232 4.340 -0.037 0.000 0.246 1058 R C 1.077 177.292 176.300 -0.143 0.000 1.161 1058 R CA 0.846 56.825 56.100 -0.202 0.000 0.997 1058 R CB -0.223 29.992 30.300 -0.142 0.000 0.870 1058 R HN 0.630 nan 8.270 nan 0.000 0.465 1059 S N -0.747 114.860 115.700 -0.154 0.000 2.654 1059 S HA 0.413 4.860 4.470 -0.037 0.000 0.283 1059 S C -0.017 174.471 174.600 -0.186 0.000 1.180 1059 S CA -0.727 57.393 58.200 -0.133 0.000 1.021 1059 S CB 1.769 64.904 63.200 -0.108 0.000 1.018 1059 S HN 0.341 nan 8.310 nan 0.000 0.532 1060 S N 0.501 116.121 115.700 -0.133 0.000 2.722 1060 S HA 0.536 4.984 4.470 -0.037 0.000 0.292 1060 S C 0.295 174.826 174.600 -0.114 0.000 1.135 1060 S CA -0.531 57.590 58.200 -0.133 0.000 1.003 1060 S CB 0.161 63.346 63.200 -0.024 0.000 1.067 1060 S HN 0.443 nan 8.310 nan 0.000 0.546 1061 F N 0.683 120.633 119.950 0.000 0.000 2.407 1061 F HA 0.223 4.727 4.527 -0.038 0.000 0.299 1061 F C 2.669 178.479 175.800 0.016 0.000 1.097 1061 F CA 0.316 58.320 58.000 0.007 0.000 1.422 1061 F CB -0.351 38.650 39.000 0.002 0.000 1.067 1061 F HN 0.538 nan 8.300 nan 0.000 0.539 1062 R N 1.082 121.695 120.500 0.189 0.000 2.081 1062 R HA -0.113 4.205 4.340 -0.037 0.000 0.235 1062 R C 0.872 177.226 176.300 0.091 0.000 1.131 1062 R CA 1.155 57.327 56.100 0.120 0.000 0.960 1062 R CB -0.317 30.035 30.300 0.086 0.000 0.856 1062 R HN 0.340 nan 8.270 nan 0.000 0.436 1063 E N -1.854 118.387 120.200 0.069 0.000 0.000 1063 E HA 0.352 4.680 4.350 -0.037 0.000 0.000 1063 E C -0.694 175.942 176.600 0.060 0.000 0.000 1063 E CA -0.558 55.873 56.400 0.050 0.000 0.000 1063 E CB 0.969 30.683 29.700 0.024 0.000 0.000 1063 E HN 0.261 nan 8.360 nan 0.000 0.000 1064 G N 1.675 110.503 108.800 0.047 0.000 2.428 1064 G HA2 0.122 4.059 3.960 -0.037 0.000 0.290 1064 G HA3 0.122 4.059 3.960 -0.037 0.000 0.290 1064 G C -0.157 174.771 174.900 0.046 0.000 0.996 1064 G CA -0.031 45.103 45.100 0.056 0.000 1.406 1064 G HN 0.255 nan 8.290 nan 0.000 0.445 1065 L N 5.257 126.526 121.223 0.077 0.000 2.574 1065 L HA 0.226 4.544 4.340 -0.037 0.000 0.281 1065 L C 1.408 178.350 176.870 0.120 0.000 1.212 1065 L CA -0.527 54.336 54.840 0.039 0.000 1.082 1065 L CB -1.142 40.916 42.059 -0.002 0.000 1.362 1065 L HN 0.561 nan 8.230 nan 0.000 0.451 1066 T N 1.057 115.643 114.554 0.052 0.000 2.779 1066 T HA -0.029 4.299 4.350 -0.037 0.000 0.348 1066 T C 1.593 176.345 174.700 0.086 0.000 1.090 1066 T CA 0.226 62.353 62.100 0.046 0.000 1.111 1066 T CB 0.220 69.094 68.868 0.009 0.000 1.026 1066 T HN 0.381 nan 8.240 nan 0.000 0.547 1067 V N 2.674 122.613 119.914 0.041 0.000 2.227 1067 V HA -0.221 3.876 4.120 -0.037 0.000 0.249 1067 V C 2.656 178.812 176.094 0.103 0.000 1.046 1067 V CA 2.388 64.712 62.300 0.039 0.000 1.015 1067 V CB -1.407 30.407 31.823 -0.016 0.000 0.648 1067 V HN 0.878 nan 8.190 nan 0.000 0.460 1068 L N -0.141 121.107 121.223 0.043 0.000 1.990 1068 L HA -0.221 4.097 4.340 -0.037 0.000 0.213 1068 L C 2.557 179.466 176.870 0.065 0.000 1.072 1068 L CA 2.195 57.067 54.840 0.053 0.000 0.755 1068 L CB -0.766 41.288 42.059 -0.008 0.000 0.889 1068 L HN 0.406 nan 8.230 nan 0.000 0.432 1069 E N -1.594 118.612 120.200 0.009 0.000 2.108 1069 E HA -0.337 3.991 4.350 -0.037 0.000 0.203 1069 E C 2.085 178.662 176.600 -0.038 0.000 1.022 1069 E CA 2.108 58.474 56.400 -0.057 0.000 0.823 1069 E CB -0.389 29.269 29.700 -0.069 0.000 0.744 1069 E HN 0.595 nan 8.360 nan 0.000 0.456 1070 Y N 0.104 120.370 120.300 -0.057 0.000 2.089 1070 Y HA -0.272 4.256 4.550 -0.037 0.000 0.282 1070 Y C 2.121 177.991 175.900 -0.049 0.000 1.139 1070 Y CA 1.918 59.995 58.100 -0.039 0.000 1.123 1070 Y CB -0.610 37.856 38.460 0.010 0.000 0.980 1070 Y HN 0.053 nan 8.280 nan 0.000 0.493 1071 F N 0.117 120.119 119.950 0.086 0.000 2.120 1071 F HA -0.325 4.180 4.527 -0.037 0.000 0.300 1071 F C 2.059 177.647 175.800 -0.354 0.000 1.095 1071 F CA 1.544 59.491 58.000 -0.089 0.000 1.249 1071 F CB -0.429 38.526 39.000 -0.074 0.000 0.995 1071 F HN 0.033 nan 8.300 nan 0.000 0.480 1072 I N -0.257 120.236 120.570 -0.128 0.000 2.163 1072 I HA -0.323 3.825 4.170 -0.037 0.000 0.243 1072 I C 2.762 178.650 176.117 -0.381 0.000 1.085 1072 I CA 1.840 62.928 61.300 -0.354 0.000 1.347 1072 I CB -1.864 35.881 38.000 -0.425 0.000 1.044 1072 I HN 0.266 nan 8.210 nan 0.000 0.408 1073 S N 0.727 116.237 115.700 -0.316 0.000 2.382 1073 S HA -0.176 4.271 4.470 -0.037 0.000 0.228 1073 S C 2.335 176.773 174.600 -0.270 0.000 1.027 1073 S CA 1.974 60.007 58.200 -0.277 0.000 0.991 1073 S CB -0.357 62.638 63.200 -0.342 0.000 0.823 1073 S HN 0.637 nan 8.310 nan 0.000 0.469 1074 S N 0.808 116.286 115.700 -0.370 0.000 2.420 1074 S HA -0.222 4.226 4.470 -0.037 0.000 0.237 1074 S C 1.727 176.157 174.600 -0.282 0.000 1.023 1074 S CA 1.354 59.351 58.200 -0.338 0.000 0.991 1074 S CB -0.957 61.992 63.200 -0.419 0.000 0.792 1074 S HN 0.715 nan 8.310 nan 0.000 0.488 1075 H N 1.741 120.693 119.070 -0.195 0.000 2.256 1075 H HA 0.037 4.571 4.556 -0.037 0.000 0.299 1075 H C 2.652 177.956 175.328 -0.039 0.000 1.071 1075 H CA 1.560 57.550 56.048 -0.097 0.000 1.280 1075 H CB -1.332 28.453 29.762 0.038 0.000 1.370 1075 H HN 0.566 nan 8.280 nan 0.000 0.490 1076 G N 0.324 109.204 108.800 0.132 0.000 2.501 1076 G HA2 -0.144 3.793 3.960 -0.037 0.000 0.220 1076 G HA3 -0.144 3.793 3.960 -0.037 0.000 0.220 1076 G C 1.887 176.796 174.900 0.015 0.000 1.114 1076 G CA 0.957 46.098 45.100 0.068 0.000 0.757 1076 G HN 0.542 nan 8.290 nan 0.000 0.559 1077 A N 0.790 123.600 122.820 -0.016 0.000 1.873 1077 A HA 0.017 4.314 4.320 -0.037 0.000 0.215 1077 A C 2.523 180.098 177.584 -0.016 0.000 1.186 1077 A CA 1.351 53.369 52.037 -0.031 0.000 0.616 1077 A CB -0.323 18.640 19.000 -0.061 0.000 0.823 1077 A HN 0.216 nan 8.150 nan 0.000 0.442 1078 R N 0.472 120.966 120.500 -0.009 0.000 2.070 1078 R HA -0.165 4.153 4.340 -0.037 0.000 0.233 1078 R C 2.285 178.583 176.300 -0.003 0.000 1.137 1078 R CA 1.889 57.987 56.100 -0.003 0.000 0.945 1078 R CB -0.751 29.553 30.300 0.007 0.000 0.845 1078 R HN 0.857 nan 8.270 nan 0.000 0.430 1079 K N -0.454 119.948 120.400 0.003 0.000 2.113 1079 K HA -0.105 4.193 4.320 -0.037 0.000 0.208 1079 K C 2.071 178.662 176.600 -0.015 0.000 1.047 1079 K CA 1.863 58.146 56.287 -0.007 0.000 0.928 1079 K CB -0.658 31.842 32.500 -0.001 0.000 0.716 1079 K HN 0.160 nan 8.250 nan 0.000 0.446 1080 G N 0.798 109.591 108.800 -0.012 0.000 2.418 1080 G HA2 -0.179 3.759 3.960 -0.037 0.000 0.217 1080 G HA3 -0.179 3.759 3.960 -0.037 0.000 0.217 1080 G C 1.646 176.534 174.900 -0.021 0.000 1.158 1080 G CA 0.738 45.827 45.100 -0.018 0.000 0.771 1080 G HN 0.494 nan 8.290 nan 0.000 0.545 1081 G N 0.835 109.625 108.800 -0.017 0.000 2.403 1081 G HA2 0.138 4.076 3.960 -0.037 0.000 0.216 1081 G HA3 0.138 4.076 3.960 -0.037 0.000 0.216 1081 G C 1.955 176.844 174.900 -0.019 0.000 1.154 1081 G CA 1.280 46.371 45.100 -0.016 0.000 0.784 1081 G HN 0.619 nan 8.290 nan 0.000 0.538 1082 A N 0.581 123.390 122.820 -0.019 0.000 2.121 1082 A HA 0.032 4.330 4.320 -0.037 0.000 0.218 1082 A C 1.940 179.503 177.584 -0.036 0.000 1.154 1082 A CA 2.013 54.036 52.037 -0.023 0.000 0.679 1082 A CB -0.263 18.725 19.000 -0.020 0.000 0.795 1082 A HN 0.393 nan 8.150 nan 0.000 0.458 1083 D N -0.616 119.760 120.400 -0.040 0.000 2.162 1083 D HA -0.114 4.503 4.640 -0.037 0.000 0.205 1083 D C 2.201 178.470 176.300 -0.052 0.000 0.964 1083 D CA 1.999 55.965 54.000 -0.056 0.000 0.847 1083 D CB -0.082 40.684 40.800 -0.056 0.000 0.988 1083 D HN 0.419 nan 8.370 nan 0.000 0.480 1084 T N -1.489 113.042 114.554 -0.038 0.000 2.737 1084 T HA -0.029 4.298 4.350 -0.037 0.000 0.265 1084 T C 2.135 176.819 174.700 -0.027 0.000 1.038 1084 T CA 1.437 63.518 62.100 -0.032 0.000 1.144 1084 T CB -0.841 68.013 68.868 -0.024 0.000 0.866 1084 T HN 0.114 nan 8.240 nan 0.000 0.434 1085 A N 1.907 124.713 122.820 -0.023 0.000 1.859 1085 A HA 0.064 4.362 4.320 -0.037 0.000 0.217 1085 A C 2.424 179.997 177.584 -0.019 0.000 1.198 1085 A CA 1.585 53.612 52.037 -0.017 0.000 0.629 1085 A CB -1.237 17.755 19.000 -0.013 0.000 0.830 1085 A HN 0.521 nan 8.150 nan 0.000 0.446 1086 L N -1.629 119.576 121.223 -0.030 0.000 2.447 1086 L HA -0.154 4.164 4.340 -0.037 0.000 0.225 1086 L C 2.608 179.456 176.870 -0.037 0.000 1.148 1086 L CA 1.432 56.251 54.840 -0.035 0.000 0.808 1086 L CB -0.192 41.830 42.059 -0.062 0.000 0.928 1086 L HN 0.455 nan 8.230 nan 0.000 0.448 1087 R N -1.349 119.130 120.500 -0.035 0.000 2.142 1087 R HA -0.000 4.317 4.340 -0.037 0.000 0.204 1087 R C 2.063 178.360 176.300 -0.005 0.000 1.059 1087 R CA 1.093 57.177 56.100 -0.026 0.000 1.055 1087 R CB -0.291 29.987 30.300 -0.037 0.000 0.976 1087 R HN 0.032 nan 8.270 nan 0.000 0.483 1088 T N 1.117 115.667 114.554 -0.007 0.000 2.822 1088 T HA -0.182 4.145 4.350 -0.037 0.000 0.270 1088 T C 1.642 176.347 174.700 0.007 0.000 1.064 1088 T CA 1.240 63.339 62.100 -0.001 0.000 1.131 1088 T CB -0.446 68.419 68.868 -0.005 0.000 0.858 1088 T HN 0.413 nan 8.240 nan 0.000 0.483 1089 A N 1.710 124.536 122.820 0.010 0.000 1.836 1089 A HA -0.102 4.196 4.320 -0.037 0.000 0.215 1089 A C 1.329 178.932 177.584 0.032 0.000 1.214 1089 A CA 1.339 53.388 52.037 0.019 0.000 0.636 1089 A CB -0.524 18.489 19.000 0.022 0.000 0.847 1089 A HN 0.442 nan 8.150 nan 0.000 0.451 1090 D N -1.532 118.899 120.400 0.052 0.000 2.414 1090 D HA 0.536 5.154 4.640 -0.037 0.000 0.232 1090 D C 0.358 176.713 176.300 0.091 0.000 1.070 1090 D CA 0.046 54.097 54.000 0.085 0.000 0.839 1090 D CB 1.408 42.302 40.800 0.157 0.000 1.079 1090 D HN 0.096 nan 8.370 nan 0.000 0.521 1091 S N 1.593 117.329 115.700 0.061 0.000 2.486 1091 S HA 0.109 4.557 4.470 -0.037 0.000 0.220 1091 S C 1.781 176.416 174.600 0.058 0.000 1.011 1091 S CA 0.220 58.449 58.200 0.048 0.000 0.921 1091 S CB 0.669 63.879 63.200 0.016 0.000 0.785 1091 S HN 0.579 nan 8.310 nan 0.000 0.517 1092 G N -0.184 108.649 108.800 0.055 0.000 2.985 1092 G HA2 0.003 3.940 3.960 -0.037 0.000 0.209 1092 G HA3 0.003 3.940 3.960 -0.037 0.000 0.209 1092 G C 0.870 175.800 174.900 0.051 0.000 1.165 1092 G CA -0.222 44.895 45.100 0.029 0.000 0.776 1092 G HN 0.428 nan 8.290 nan 0.000 0.541 1093 Y N 0.869 121.171 120.300 0.003 0.000 2.002 1093 Y HA -0.286 4.242 4.550 -0.037 0.000 0.268 1093 Y C 2.488 178.389 175.900 0.001 0.000 1.177 1093 Y CA 2.220 60.329 58.100 0.013 0.000 1.111 1093 Y CB -0.243 38.239 38.460 0.036 0.000 0.952 1093 Y HN 0.196 nan 8.280 nan 0.000 0.491 1094 L N -0.306 121.048 121.223 0.218 0.000 1.976 1094 L HA -0.191 4.127 4.340 -0.037 0.000 0.209 1094 L C 2.282 179.122 176.870 -0.051 0.000 1.071 1094 L CA 2.805 57.687 54.840 0.070 0.000 0.746 1094 L CB -1.385 40.711 42.059 0.061 0.000 0.890 1094 L HN 0.345 nan 8.230 nan 0.000 0.432 1095 T N -0.580 113.959 114.554 -0.025 0.000 2.869 1095 T HA -0.251 4.077 4.350 -0.037 0.000 0.270 1095 T C 1.881 176.552 174.700 -0.047 0.000 1.082 1095 T CA 1.502 63.578 62.100 -0.040 0.000 1.123 1095 T CB -0.396 68.460 68.868 -0.020 0.000 0.856 1095 T HN 0.277 nan 8.240 nan 0.000 0.499 1096 R N 1.940 122.400 120.500 -0.067 0.000 2.075 1096 R HA -0.072 4.245 4.340 -0.037 0.000 0.230 1096 R C 2.324 178.599 176.300 -0.042 0.000 1.140 1096 R CA 1.482 57.536 56.100 -0.077 0.000 0.928 1096 R CB -0.274 29.947 30.300 -0.131 0.000 0.834 1096 R HN 0.188 nan 8.270 nan 0.000 0.429 1097 K N 0.427 120.782 120.400 -0.075 0.000 2.077 1097 K HA -0.210 4.087 4.320 -0.037 0.000 0.213 1097 K C 2.110 178.737 176.600 0.045 0.000 1.051 1097 K CA 1.694 57.977 56.287 -0.007 0.000 0.929 1097 K CB -0.831 31.630 32.500 -0.065 0.000 0.715 1097 K HN 0.197 nan 8.250 nan 0.000 0.451 1098 L N 0.956 122.176 121.223 -0.004 0.000 2.083 1098 L HA -0.127 4.191 4.340 -0.037 0.000 0.209 1098 L C 2.481 179.399 176.870 0.079 0.000 1.083 1098 L CA 1.048 55.908 54.840 0.033 0.000 0.752 1098 L CB -0.571 41.467 42.059 -0.035 0.000 0.899 1098 L HN -0.091 nan 8.230 nan 0.000 0.433 1099 V N -0.867 119.082 119.914 0.057 0.000 2.871 1099 V HA -0.160 3.938 4.120 -0.037 0.000 0.256 1099 V C 1.706 177.893 176.094 0.154 0.000 1.082 1099 V CA 1.198 63.547 62.300 0.081 0.000 1.105 1099 V CB -0.588 31.241 31.823 0.009 0.000 0.713 1099 V HN 0.422 nan 8.190 nan 0.000 0.473 1100 D N 0.413 120.903 120.400 0.151 0.000 2.317 1100 D HA -0.030 4.587 4.640 -0.037 0.000 0.211 1100 D C 1.533 178.052 176.300 0.365 0.000 0.966 1100 D CA 0.985 55.133 54.000 0.247 0.000 0.876 1100 D CB 0.493 41.536 40.800 0.406 0.000 0.927 1100 D HN 0.470 nan 8.370 nan 0.000 0.519 1101 V N -0.327 119.750 119.914 0.272 0.000 3.380 1101 V HA 0.140 4.238 4.120 -0.037 0.000 0.307 1101 V C 1.211 177.392 176.094 0.145 0.000 1.434 1101 V CA 0.232 62.659 62.300 0.212 0.000 1.075 1101 V CB 0.845 32.779 31.823 0.185 0.000 0.954 1101 V HN -0.008 nan 8.190 nan 0.000 0.444 1102 T N -0.990 113.659 114.554 0.159 0.000 3.046 1102 T HA 0.092 4.419 4.350 -0.037 0.000 0.270 1102 T C 1.710 176.418 174.700 0.014 0.000 0.920 1102 T CA 0.412 62.554 62.100 0.070 0.000 0.874 1102 T CB 0.006 68.929 68.868 0.092 0.000 1.214 1102 T HN 0.664 nan 8.240 nan 0.000 0.536 1103 H N 3.273 122.346 119.070 0.004 0.000 2.290 1103 H HA -0.144 4.390 4.556 -0.037 0.000 0.298 1103 H C 1.880 177.188 175.328 -0.034 0.000 1.087 1103 H CA 2.092 58.129 56.048 -0.019 0.000 1.291 1103 H CB -0.756 28.990 29.762 -0.026 0.000 1.369 1103 H HN 0.599 nan 8.280 nan 0.000 0.492 1104 E N 1.569 121.264 120.200 -0.841 0.000 2.233 1104 E HA -0.125 4.203 4.350 -0.037 0.000 0.199 1104 E C 0.545 177.013 176.600 -0.221 0.000 1.004 1104 E CA 0.705 56.796 56.400 -0.516 0.000 0.819 1104 E CB -0.209 29.104 29.700 -0.646 0.000 0.738 1104 E HN 0.309 nan 8.360 nan 0.000 0.478 1105 I N 2.693 123.165 120.570 -0.163 0.000 2.578 1105 I HA 0.062 4.210 4.170 -0.037 0.000 0.286 1105 I C -0.200 175.868 176.117 -0.081 0.000 1.126 1105 I CA 0.022 61.274 61.300 -0.080 0.000 1.380 1105 I CB 0.083 38.046 38.000 -0.061 0.000 1.408 1105 I HN -0.020 nan 8.210 nan 0.000 0.532 1106 V N 6.825 126.698 119.914 -0.067 0.000 2.971 1106 V HA 0.342 4.440 4.120 -0.037 0.000 0.309 1106 V C -0.052 175.997 176.094 -0.075 0.000 1.130 1106 V CA -0.962 61.292 62.300 -0.076 0.000 0.964 1106 V CB 2.450 34.247 31.823 -0.044 0.000 1.029 1106 V HN 0.321 nan 8.190 nan 0.000 0.427 1107 V N 4.560 124.411 119.914 -0.105 0.000 2.479 1107 V HA 0.431 4.529 4.120 -0.037 0.000 0.281 1107 V C 0.322 176.391 176.094 -0.041 0.000 1.031 1107 V CA -0.035 62.213 62.300 -0.086 0.000 1.038 1107 V CB 0.303 32.059 31.823 -0.112 0.000 0.981 1107 V HN 1.001 nan 8.190 nan 0.000 0.478 1108 R N 3.517 124.016 120.500 -0.002 0.000 3.009 1108 R HA 0.632 4.950 4.340 -0.037 0.000 0.278 1108 R C -0.850 175.502 176.300 0.086 0.000 1.515 1108 R CA -0.778 55.356 56.100 0.057 0.000 1.055 1108 R CB 1.259 31.602 30.300 0.071 0.000 1.345 1108 R HN 0.770 nan 8.270 nan 0.000 0.421 1109 E N 2.064 122.335 120.200 0.118 0.000 2.269 1109 E HA 0.843 5.170 4.350 -0.037 0.000 0.243 1109 E C -1.535 175.164 176.600 0.165 0.000 1.114 1109 E CA -0.833 55.636 56.400 0.115 0.000 0.896 1109 E CB 0.871 30.611 29.700 0.067 0.000 1.811 1109 E HN 0.556 nan 8.360 nan 0.000 0.472 1110 A N 0.320 123.208 122.820 0.114 0.000 2.594 1110 A HA 0.561 4.859 4.320 -0.037 0.000 0.295 1110 A C -1.732 175.899 177.584 0.078 0.000 1.071 1110 A CA -0.485 51.615 52.037 0.106 0.000 0.685 1110 A CB 1.003 20.054 19.000 0.085 0.000 1.285 1110 A HN 0.769 nan 8.150 nan 0.000 0.405 1111 D N 0.987 121.432 120.400 0.076 0.000 2.497 1111 D HA 0.160 4.778 4.640 -0.037 0.000 0.285 1111 D C 0.765 177.093 176.300 0.046 0.000 1.452 1111 D CA 0.160 54.198 54.000 0.063 0.000 1.132 1111 D CB -0.816 40.021 40.800 0.062 0.000 1.132 1111 D HN 0.840 nan 8.370 nan 0.000 0.555 1112 C N 2.521 121.845 119.300 0.041 0.000 2.519 1112 C HA 0.397 4.835 4.460 -0.037 0.000 0.402 1112 C C 2.058 177.063 174.990 0.026 0.000 1.475 1112 C CA -0.077 58.959 59.018 0.029 0.000 1.504 1112 C CB -0.489 27.264 27.740 0.021 0.000 2.454 1112 C HN 0.711 nan 8.230 nan 0.000 0.615 1113 G N 3.965 112.779 108.800 0.024 0.000 2.469 1113 G HA2 -0.091 3.847 3.960 -0.037 0.000 0.220 1113 G HA3 -0.091 3.847 3.960 -0.037 0.000 0.220 1113 G C 0.946 175.860 174.900 0.024 0.000 1.136 1113 G CA 1.156 46.270 45.100 0.023 0.000 0.759 1113 G HN 0.976 nan 8.290 nan 0.000 0.562 1114 T N 1.270 115.836 114.554 0.020 0.000 2.831 1114 T HA 0.296 4.623 4.350 -0.037 0.000 0.291 1114 T C 0.455 175.172 174.700 0.029 0.000 0.981 1114 T CA 0.465 62.577 62.100 0.020 0.000 1.174 1114 T CB 0.187 69.063 68.868 0.014 0.000 0.929 1114 T HN 0.039 nan 8.240 nan 0.000 0.532 1115 T N 5.949 120.525 114.554 0.036 0.000 3.256 1115 T HA 0.233 4.561 4.350 -0.037 0.000 0.249 1115 T C 0.017 174.759 174.700 0.071 0.000 0.975 1115 T CA -0.699 61.441 62.100 0.066 0.000 1.011 1115 T CB -0.409 68.507 68.868 0.079 0.000 1.127 1115 T HN 0.496 nan 8.240 nan 0.000 0.543 1116 N N 2.888 121.600 118.700 0.020 0.000 2.458 1116 N HA 0.439 5.156 4.740 -0.037 0.000 0.270 1116 N C -0.315 175.197 175.510 0.004 0.000 1.102 1116 N CA -0.487 52.527 53.050 -0.060 0.000 0.967 1116 N CB 0.568 39.022 38.487 -0.056 0.000 1.078 1116 N HN 0.508 nan 8.380 nan 0.000 0.471 1117 Y N 0.331 120.628 120.300 -0.004 0.000 2.968 1117 Y HA 0.827 5.355 4.550 -0.037 0.000 0.316 1117 Y C -0.560 175.337 175.900 -0.006 0.000 1.359 1117 Y CA -1.307 56.786 58.100 -0.011 0.000 1.107 1117 Y CB 0.886 39.335 38.460 -0.019 0.000 1.374 1117 Y HN 0.224 nan 8.280 nan 0.000 0.621 1118 I N 0.421 121.260 120.570 0.448 0.000 2.827 1118 I HA 0.374 4.521 4.170 -0.037 0.000 0.298 1118 I C -1.314 174.969 176.117 0.277 0.000 1.235 1118 I CA -1.009 60.460 61.300 0.282 0.000 1.021 1118 I CB 2.620 40.694 38.000 0.124 0.000 1.259 1118 I HN 0.539 nan 8.210 nan 0.000 0.427 1119 S N 3.657 119.480 115.700 0.205 0.000 2.438 1119 S HA 0.441 4.889 4.470 -0.037 0.000 0.316 1119 S C -0.304 174.325 174.600 0.049 0.000 1.084 1119 S CA -0.601 57.662 58.200 0.105 0.000 1.107 1119 S CB 1.483 64.764 63.200 0.135 0.000 0.981 1119 S HN 0.279 nan 8.310 nan 0.000 0.466 1120 V N 6.089 126.005 119.914 0.004 0.000 2.455 1120 V HA 0.238 4.335 4.120 -0.037 0.000 0.273 1120 V C -2.114 173.962 176.094 -0.030 0.000 1.045 1120 V CA -1.730 60.561 62.300 -0.015 0.000 0.976 1120 V CB 0.406 32.205 31.823 -0.040 0.000 0.993 1120 V HN 0.594 nan 8.190 nan 0.000 0.475 1121 P HA 0.249 nan 4.420 nan 0.000 0.272 1121 P C -0.047 177.179 177.300 -0.122 0.000 1.230 1121 P CA -0.211 62.875 63.100 -0.023 0.000 0.788 1121 P CB 0.642 32.356 31.700 0.024 0.000 0.949 1122 L N 0.461 121.540 121.223 -0.241 0.000 3.016 1122 L HA 0.389 4.707 4.340 -0.037 0.000 0.267 1122 L C -0.603 175.723 176.870 -0.907 0.000 1.182 1122 L CA 0.468 54.961 54.840 -0.578 0.000 0.997 1122 L CB -0.153 41.440 42.059 -0.776 0.000 1.354 1122 L HN 0.242 nan 8.230 nan 0.000 0.569 1123 F N -0.382 119.570 119.950 0.004 0.000 2.581 1123 F HA 0.536 5.041 4.527 -0.037 0.000 0.311 1123 F C -0.026 175.782 175.800 0.013 0.000 1.113 1123 F CA -1.111 56.893 58.000 0.007 0.000 0.935 1123 F CB 1.659 40.663 39.000 0.007 0.000 1.232 1123 F HN -0.061 nan 8.300 nan 0.000 0.445 1124 Q N 3.034 122.953 119.800 0.199 0.000 2.297 1124 Q HA 0.774 5.092 4.340 -0.037 0.000 0.268 1124 Q C -2.921 173.146 176.000 0.112 0.000 1.045 1124 Q CA -1.786 54.090 55.803 0.123 0.000 0.861 1124 Q CB 3.180 31.965 28.738 0.079 0.000 1.344 1124 Q HN 0.281 nan 8.270 nan 0.000 0.452 1125 P HA 0.088 nan 4.420 nan 0.000 0.179 1125 P C -0.997 176.336 177.300 0.056 0.000 1.067 1125 P CA -0.032 63.108 63.100 0.067 0.000 0.827 1125 P CB 0.020 31.757 31.700 0.062 0.000 0.729 1126 D N 0.005 120.437 120.400 0.053 0.000 2.502 1126 D HA -0.026 4.591 4.640 -0.037 0.000 0.249 1126 D C 0.825 177.152 176.300 0.046 0.000 1.188 1126 D CA 1.082 55.111 54.000 0.048 0.000 0.890 1126 D CB 0.199 41.029 40.800 0.050 0.000 1.140 1126 D HN 0.091 nan 8.370 nan 0.000 0.505 1127 E N 2.286 122.510 120.200 0.039 0.000 2.094 1127 E HA -0.025 4.303 4.350 -0.037 0.000 0.254 1127 E C -0.606 176.012 176.600 0.030 0.000 1.086 1127 E CA 0.070 56.491 56.400 0.035 0.000 1.741 1127 E CB 0.193 29.914 29.700 0.035 0.000 3.572 1127 E HN 0.249 nan 8.360 nan 0.000 0.995 1128 V N 3.086 123.017 119.914 0.029 0.000 2.260 1128 V HA 0.203 4.300 4.120 -0.037 0.000 0.262 1128 V C 1.015 177.124 176.094 0.024 0.000 1.163 1128 V CA 0.813 63.127 62.300 0.024 0.000 1.194 1128 V CB -0.185 31.651 31.823 0.022 0.000 1.339 1128 V HN 0.546 nan 8.190 nan 0.000 0.492 1129 T N 2.199 116.769 114.554 0.026 0.000 13.229 1129 T HA -0.392 3.935 4.350 -0.037 0.000 0.419 1129 T C 0.860 175.577 174.700 0.029 0.000 1.441 1129 T CA 2.552 64.668 62.100 0.027 0.000 2.359 1129 T CB -0.273 68.609 68.868 0.024 0.000 2.807 1129 T HN 0.597 nan 8.240 nan 0.000 0.623 1130 R N 1.750 122.264 120.500 0.024 0.000 2.513 1130 R HA 0.579 4.896 4.340 -0.037 0.000 0.283 1130 R C -1.235 175.074 176.300 0.014 0.000 1.535 1130 R CA 0.453 56.566 56.100 0.022 0.000 1.315 1130 R CB 0.989 31.302 30.300 0.021 0.000 1.163 1130 R HN 0.615 nan 8.270 nan 0.000 0.573 1131 S N 3.600 119.310 115.700 0.017 0.000 2.524 1131 S HA 0.356 4.804 4.470 -0.037 0.000 0.227 1131 S C -0.102 174.506 174.600 0.013 0.000 1.304 1131 S CA -0.886 57.319 58.200 0.009 0.000 1.185 1131 S CB 0.337 63.545 63.200 0.013 0.000 1.104 1131 S HN 0.418 nan 8.310 nan 0.000 0.475 1132 L N 3.168 124.387 121.223 -0.006 0.000 2.615 1132 L HA 0.093 4.411 4.340 -0.037 0.000 0.284 1132 L C 0.719 177.600 176.870 0.018 0.000 1.237 1132 L CA 0.686 55.521 54.840 -0.009 0.000 0.905 1132 L CB 0.004 42.001 42.059 -0.104 0.000 1.149 1132 L HN 0.594 nan 8.230 nan 0.000 0.499 1133 R N 3.487 124.051 120.500 0.106 0.000 2.725 1133 R HA 0.465 4.783 4.340 -0.037 0.000 0.277 1133 R C -0.946 175.547 176.300 0.323 0.000 0.987 1133 R CA -1.083 55.109 56.100 0.152 0.000 0.901 1133 R CB 2.124 32.483 30.300 0.099 0.000 1.207 1133 R HN 0.483 nan 8.270 nan 0.000 0.463 1134 L N 3.018 124.446 121.223 0.343 0.000 2.462 1134 L HA 0.181 4.499 4.340 -0.037 0.000 0.272 1134 L C 0.440 177.364 176.870 0.090 0.000 1.166 1134 L CA 0.010 55.039 54.840 0.315 0.000 0.880 1134 L CB 0.320 42.514 42.059 0.224 0.000 1.142 1134 L HN 0.501 nan 8.230 nan 0.000 0.473 1135 R N 4.251 124.737 120.500 -0.023 0.000 2.638 1135 R HA -0.021 4.296 4.340 -0.037 0.000 0.268 1135 R C -0.062 176.215 176.300 -0.039 0.000 1.006 1135 R CA 0.227 56.304 56.100 -0.038 0.000 1.088 1135 R CB 0.441 30.681 30.300 -0.100 0.000 0.950 1135 R HN 0.504 nan 8.270 nan 0.000 0.419 1136 K N 2.956 123.344 120.400 -0.020 0.000 2.440 1136 K HA -0.115 4.183 4.320 -0.037 0.000 0.270 1136 K C 1.246 177.821 176.600 -0.041 0.000 0.980 1136 K CA -0.067 56.209 56.287 -0.019 0.000 0.953 1136 K CB 0.409 32.903 32.500 -0.010 0.000 0.925 1136 K HN 0.498 nan 8.250 nan 0.000 0.497 1137 R N 1.591 122.073 120.500 -0.031 0.000 2.143 1137 R HA -0.284 4.034 4.340 -0.037 0.000 0.239 1137 R C 2.211 178.470 176.300 -0.069 0.000 1.126 1137 R CA 2.315 58.392 56.100 -0.038 0.000 0.927 1137 R CB -1.163 29.132 30.300 -0.009 0.000 0.860 1137 R HN 0.830 nan 8.270 nan 0.000 0.433 1138 A N 1.233 124.018 122.820 -0.060 0.000 1.851 1138 A HA -0.231 4.067 4.320 -0.037 0.000 0.216 1138 A C 1.802 179.325 177.584 -0.102 0.000 1.195 1138 A CA 2.030 54.018 52.037 -0.081 0.000 0.622 1138 A CB -0.854 18.114 19.000 -0.053 0.000 0.831 1138 A HN 0.358 nan 8.150 nan 0.000 0.444 1139 D N 0.070 120.424 120.400 -0.077 0.000 2.157 1139 D HA -0.221 4.397 4.640 -0.037 0.000 0.191 1139 D C 1.891 178.120 176.300 -0.118 0.000 1.004 1139 D CA 1.813 55.764 54.000 -0.082 0.000 0.854 1139 D CB -0.454 40.313 40.800 -0.055 0.000 0.936 1139 D HN 0.555 nan 8.370 nan 0.000 0.446 1140 I N 1.244 121.740 120.570 -0.124 0.000 2.179 1140 I HA -0.245 3.902 4.170 -0.037 0.000 0.242 1140 I C 2.458 178.470 176.117 -0.176 0.000 1.088 1140 I CA 1.153 62.365 61.300 -0.147 0.000 1.357 1140 I CB -0.305 37.602 38.000 -0.154 0.000 1.051 1140 I HN 0.001 nan 8.210 nan 0.000 0.409 1141 E N 0.844 120.926 120.200 -0.198 0.000 2.130 1141 E HA -0.266 4.062 4.350 -0.037 0.000 0.196 1141 E C 2.190 178.626 176.600 -0.273 0.000 0.998 1141 E CA 1.461 57.713 56.400 -0.247 0.000 0.806 1141 E CB -0.219 29.311 29.700 -0.283 0.000 0.738 1141 E HN 0.547 nan 8.360 nan 0.000 0.459 1142 A N 0.562 123.208 122.820 -0.290 0.000 2.168 1142 A HA 0.009 4.307 4.320 -0.037 0.000 0.215 1142 A C 2.144 179.366 177.584 -0.603 0.000 1.152 1142 A CA 1.300 53.064 52.037 -0.455 0.000 0.716 1142 A CB -0.186 18.672 19.000 -0.238 0.000 0.794 1142 A HN 0.324 nan 8.150 nan 0.000 0.465 1143 G N -1.630 106.978 108.800 -0.319 0.000 2.850 1143 G HA2 0.300 4.238 3.960 -0.037 0.000 0.211 1143 G HA3 0.300 4.238 3.960 -0.037 0.000 0.211 1143 G C 1.172 176.037 174.900 -0.060 0.000 1.124 1143 G CA 0.325 45.330 45.100 -0.159 0.000 0.769 1143 G HN 0.355 nan 8.290 nan 0.000 0.535 1144 L N -1.078 120.096 121.223 -0.083 0.000 2.717 1144 L HA 0.337 4.655 4.340 -0.037 0.000 0.239 1144 L C 0.650 177.577 176.870 0.094 0.000 1.086 1144 L CA -0.500 54.334 54.840 -0.011 0.000 0.897 1144 L CB 0.202 42.222 42.059 -0.065 0.000 1.214 1144 L HN 0.198 nan 8.230 nan 0.000 0.508 1145 Y N 2.396 122.657 120.300 -0.065 0.000 2.944 1145 Y HA -0.047 4.481 4.550 -0.037 0.000 0.340 1145 Y C 1.358 177.309 175.900 0.086 0.000 1.275 1145 Y CA 0.411 58.515 58.100 0.007 0.000 1.590 1145 Y CB 0.453 38.912 38.460 -0.002 0.000 1.218 1145 Y HN 0.336 nan 8.280 nan 0.000 0.576 1146 G N 5.992 114.749 108.800 -0.071 0.000 2.393 1146 G HA2 -0.278 3.660 3.960 -0.037 0.000 0.299 1146 G HA3 -0.278 3.660 3.960 -0.037 0.000 0.299 1146 G C 0.090 174.833 174.900 -0.262 0.000 0.990 1146 G CA 0.086 44.908 45.100 -0.464 0.000 1.118 1146 G HN 0.638 nan 8.290 nan 0.000 0.513 1147 R N -1.667 118.701 120.500 -0.220 0.000 2.867 1147 R HA 0.732 5.050 4.340 -0.037 0.000 0.227 1147 R C -0.183 175.904 176.300 -0.356 0.000 1.372 1147 R CA -0.771 55.192 56.100 -0.228 0.000 1.083 1147 R CB 1.258 31.473 30.300 -0.141 0.000 1.596 1147 R HN 0.212 nan 8.270 nan 0.000 0.522 1148 V N 2.401 122.093 119.914 -0.371 0.000 2.443 1148 V HA 0.281 4.379 4.120 -0.037 0.000 0.293 1148 V C 0.228 176.151 176.094 -0.286 0.000 1.021 1148 V CA -0.770 61.239 62.300 -0.484 0.000 0.848 1148 V CB 1.588 33.041 31.823 -0.617 0.000 0.998 1148 V HN 0.455 nan 8.190 nan 0.000 0.424 1149 L N 4.003 125.079 121.223 -0.246 0.000 2.660 1149 L HA 0.044 4.362 4.340 -0.037 0.000 0.272 1149 L C 1.810 178.572 176.870 -0.181 0.000 1.194 1149 L CA 0.343 55.068 54.840 -0.193 0.000 0.945 1149 L CB 0.286 42.252 42.059 -0.155 0.000 1.212 1149 L HN 0.868 nan 8.230 nan 0.000 0.490 1150 A N 5.144 127.835 122.820 -0.216 0.000 1.902 1150 A HA -0.028 4.269 4.320 -0.037 0.000 0.217 1150 A C 1.036 178.522 177.584 -0.164 0.000 1.181 1150 A CA 1.163 53.086 52.037 -0.189 0.000 0.623 1150 A CB 0.019 18.799 19.000 -0.367 0.000 0.818 1150 A HN 0.695 nan 8.150 nan 0.000 0.443 1151 R N -0.447 119.919 120.500 -0.223 0.000 2.774 1151 R HA 0.399 4.717 4.340 -0.037 0.000 0.272 1151 R C -1.099 175.130 176.300 -0.119 0.000 1.000 1151 R CA -0.789 55.227 56.100 -0.141 0.000 0.906 1151 R CB 0.732 30.944 30.300 -0.148 0.000 1.227 1151 R HN 0.393 nan 8.270 nan 0.000 0.468 1152 E N 0.248 120.405 120.200 -0.072 0.000 2.422 1152 E HA 0.319 4.646 4.350 -0.037 0.000 0.260 1152 E C -0.427 176.137 176.600 -0.060 0.000 1.108 1152 E CA -0.484 55.882 56.400 -0.057 0.000 0.943 1152 E CB 0.388 30.069 29.700 -0.033 0.000 0.961 1152 E HN 0.204 nan 8.360 nan 0.000 0.443 1153 V N 0.982 120.866 119.914 -0.050 0.000 2.610 1153 V HA 0.178 4.276 4.120 -0.037 0.000 0.298 1153 V C -0.651 175.426 176.094 -0.027 0.000 1.067 1153 V CA -0.917 61.356 62.300 -0.044 0.000 0.894 1153 V CB 1.572 33.360 31.823 -0.058 0.000 1.015 1153 V HN 0.633 nan 8.190 nan 0.000 0.432 1154 E N 2.981 123.170 120.200 -0.018 0.000 2.152 1154 E HA 0.475 4.802 4.350 -0.037 0.000 0.285 1154 E C -0.340 176.256 176.600 -0.007 0.000 1.043 1154 E CA 0.128 56.522 56.400 -0.010 0.000 0.839 1154 E CB 2.291 31.988 29.700 -0.005 0.000 1.069 1154 E HN 0.522 nan 8.360 nan 0.000 0.399 1155 V N 3.286 123.197 119.914 -0.005 0.000 5.812 1155 V HA 0.092 4.190 4.120 -0.037 0.000 0.138 1155 V C 1.768 177.865 176.094 0.005 0.000 1.053 1155 V CA -0.463 61.837 62.300 0.000 0.000 1.322 1155 V CB -0.462 31.359 31.823 -0.003 0.000 2.412 1155 V HN 0.575 nan 8.190 nan 0.000 0.316 1156 L N 0.786 122.013 121.223 0.007 0.000 2.549 1156 L HA 0.230 4.548 4.340 -0.037 0.000 0.229 1156 L C 1.485 178.360 176.870 0.007 0.000 1.158 1156 L CA 1.404 56.249 54.840 0.009 0.000 0.842 1156 L CB -0.264 41.802 42.059 0.011 0.000 0.952 1156 L HN 0.915 nan 8.230 nan 0.000 0.452 1157 G N -1.005 107.798 108.800 0.006 0.000 3.468 1157 G HA2 -0.110 3.828 3.960 -0.037 0.000 0.219 1157 G HA3 -0.110 3.828 3.960 -0.037 0.000 0.219 1157 G C 0.157 175.060 174.900 0.004 0.000 0.968 1157 G CA 0.050 45.153 45.100 0.005 0.000 0.851 1157 G HN 0.038 nan 8.290 nan 0.000 0.524 1158 V N -1.092 118.824 119.914 0.004 0.000 2.997 1158 V HA 0.869 4.967 4.120 -0.037 0.000 0.311 1158 V C 0.186 176.279 176.094 -0.001 0.000 1.066 1158 V CA -1.178 61.124 62.300 0.003 0.000 1.039 1158 V CB 1.828 33.654 31.823 0.004 0.000 1.081 1158 V HN 0.193 nan 8.190 nan 0.000 0.467 1159 R N 2.986 123.485 120.500 -0.001 0.000 2.335 1159 R HA 0.433 4.751 4.340 -0.037 0.000 0.302 1159 R C -0.981 175.314 176.300 -0.008 0.000 1.147 1159 R CA -0.576 55.521 56.100 -0.005 0.000 1.111 1159 R CB 0.578 30.877 30.300 -0.002 0.000 1.122 1159 R HN 0.928 nan 8.270 nan 0.000 0.557 1160 L N 5.824 127.037 121.223 -0.016 0.000 2.505 1160 L HA 0.058 4.375 4.340 -0.037 0.000 0.279 1160 L C 1.163 178.016 176.870 -0.028 0.000 1.211 1160 L CA 0.140 54.966 54.840 -0.022 0.000 1.059 1160 L CB -0.196 41.842 42.059 -0.035 0.000 1.340 1160 L HN 0.492 nan 8.230 nan 0.000 0.447 1161 E N 2.430 122.621 120.200 -0.015 0.000 2.508 1161 E HA -0.084 4.244 4.350 -0.037 0.000 0.266 1161 E C 0.041 176.624 176.600 -0.029 0.000 1.010 1161 E CA -0.462 55.930 56.400 -0.014 0.000 0.955 1161 E CB 0.880 30.581 29.700 0.002 0.000 0.946 1161 E HN 0.371 nan 8.360 nan 0.000 0.454 1162 E N 1.837 122.018 120.200 -0.032 0.000 2.418 1162 E HA 0.002 4.330 4.350 -0.037 0.000 0.261 1162 E C 0.979 177.551 176.600 -0.047 0.000 1.070 1162 E CA 1.254 57.624 56.400 -0.049 0.000 0.931 1162 E CB 0.691 30.369 29.700 -0.037 0.000 0.954 1162 E HN 0.846 nan 8.360 nan 0.000 0.439 1163 G N 3.934 112.682 108.800 -0.085 0.000 2.220 1163 G HA2 -0.363 3.574 3.960 -0.037 0.000 0.269 1163 G HA3 -0.363 3.574 3.960 -0.037 0.000 0.269 1163 G C 0.685 175.507 174.900 -0.129 0.000 0.977 1163 G CA 0.767 45.803 45.100 -0.106 0.000 0.634 1163 G HN 0.612 nan 8.290 nan 0.000 0.539 1164 R N -0.369 120.089 120.500 -0.070 0.000 2.784 1164 R HA 0.397 4.715 4.340 -0.037 0.000 0.266 1164 R C -0.423 175.810 176.300 -0.111 0.000 1.044 1164 R CA -0.266 55.842 56.100 0.013 0.000 1.151 1164 R CB 0.058 30.367 30.300 0.015 0.000 1.037 1164 R HN 0.171 nan 8.270 nan 0.000 0.478 1165 Y N 4.110 124.349 120.300 -0.102 0.000 2.367 1165 Y HA 0.183 4.711 4.550 -0.037 0.000 0.342 1165 Y C -0.061 175.652 175.900 -0.312 0.000 0.979 1165 Y CA -0.835 57.134 58.100 -0.219 0.000 1.161 1165 Y CB 0.896 39.232 38.460 -0.207 0.000 1.155 1165 Y HN 0.345 nan 8.280 nan 0.000 0.503 1166 L N 2.068 123.159 121.223 -0.219 0.000 2.369 1166 L HA 0.472 4.790 4.340 -0.037 0.000 0.279 1166 L C 0.532 177.263 176.870 -0.233 0.000 1.108 1166 L CA -0.610 54.129 54.840 -0.169 0.000 0.852 1166 L CB 0.208 42.198 42.059 -0.114 0.000 1.169 1166 L HN 0.557 nan 8.230 nan 0.000 0.452 1167 S N 3.142 118.784 115.700 -0.096 0.000 2.614 1167 S HA 0.198 4.645 4.470 -0.037 0.000 0.265 1167 S C 0.950 175.683 174.600 0.222 0.000 1.303 1167 S CA -0.571 57.703 58.200 0.122 0.000 1.000 1167 S CB 1.269 64.613 63.200 0.239 0.000 0.935 1167 S HN 0.835 nan 8.310 nan 0.000 0.551 1168 M N 0.929 120.770 119.600 0.401 0.000 2.202 1168 M HA -0.137 4.321 4.480 -0.037 0.000 0.262 1168 M C 1.648 177.956 176.300 0.014 0.000 1.063 1168 M CA 1.835 57.124 55.300 -0.018 0.000 1.097 1168 M CB -0.779 31.763 32.600 -0.098 0.000 1.382 1168 M HN 0.885 nan 8.290 nan 0.000 0.413 1169 D N -0.153 120.364 120.400 0.196 0.000 2.178 1169 D HA -0.189 4.428 4.640 -0.037 0.000 0.201 1169 D C 1.252 177.630 176.300 0.129 0.000 0.980 1169 D CA 1.395 55.519 54.000 0.208 0.000 0.842 1169 D CB -0.050 40.829 40.800 0.132 0.000 0.948 1169 D HN 0.504 nan 8.370 nan 0.000 0.472 1170 D N 0.002 120.443 120.400 0.068 0.000 2.123 1170 D HA -0.088 4.529 4.640 -0.037 0.000 0.200 1170 D C 2.238 178.529 176.300 -0.016 0.000 0.976 1170 D CA 0.432 54.446 54.000 0.023 0.000 0.831 1170 D CB 0.089 40.889 40.800 0.001 0.000 0.974 1170 D HN 0.132 nan 8.370 nan 0.000 0.469 1171 V N 1.594 121.464 119.914 -0.073 0.000 2.867 1171 V HA -0.190 3.908 4.120 -0.037 0.000 0.260 1171 V C 2.079 178.071 176.094 -0.170 0.000 1.099 1171 V CA 1.355 63.565 62.300 -0.151 0.000 1.122 1171 V CB -0.616 31.065 31.823 -0.237 0.000 0.708 1171 V HN 0.256 nan 8.190 nan 0.000 0.490 1172 H N -0.897 118.148 119.070 -0.042 0.000 2.415 1172 H HA 0.110 4.644 4.556 -0.036 0.000 0.297 1172 H C 2.199 177.507 175.328 -0.034 0.000 1.048 1172 H CA 1.269 57.292 56.048 -0.042 0.000 1.365 1172 H CB 0.120 29.862 29.762 -0.033 0.000 1.421 1172 H HN 0.351 nan 8.280 nan 0.000 0.533 1173 L N 0.487 121.769 121.223 0.097 0.000 2.027 1173 L HA -0.139 4.179 4.340 -0.037 0.000 0.206 1173 L C 2.123 179.005 176.870 0.018 0.000 1.074 1173 L CA 0.927 55.794 54.840 0.046 0.000 0.745 1173 L CB -0.297 41.781 42.059 0.031 0.000 0.898 1173 L HN 0.157 nan 8.230 nan 0.000 0.433 1174 L N -0.222 120.998 121.223 -0.005 0.000 2.017 1174 L HA -0.276 4.042 4.340 -0.037 0.000 0.208 1174 L C 2.548 179.398 176.870 -0.034 0.000 1.073 1174 L CA 1.488 56.312 54.840 -0.028 0.000 0.745 1174 L CB -0.495 41.530 42.059 -0.056 0.000 0.894 1174 L HN 0.281 nan 8.230 nan 0.000 0.432 1175 I N 0.051 120.597 120.570 -0.040 0.000 2.264 1175 I HA -0.309 3.839 4.170 -0.037 0.000 0.248 1175 I C 2.633 178.746 176.117 -0.006 0.000 1.111 1175 I CA 1.170 62.441 61.300 -0.048 0.000 1.382 1175 I CB -0.248 37.731 38.000 -0.035 0.000 1.060 1175 I HN 0.207 nan 8.210 nan 0.000 0.418 1176 K N 1.633 122.043 120.400 0.017 0.000 2.097 1176 K HA -0.096 4.202 4.320 -0.037 0.000 0.205 1176 K C 2.011 178.628 176.600 0.029 0.000 1.050 1176 K CA 1.606 57.908 56.287 0.025 0.000 0.938 1176 K CB -0.286 32.228 32.500 0.024 0.000 0.718 1176 K HN 0.265 nan 8.250 nan 0.000 0.442 1177 A N 0.643 123.476 122.820 0.022 0.000 1.873 1177 A HA 0.017 4.315 4.320 -0.037 0.000 0.215 1177 A C 2.394 180.012 177.584 0.058 0.000 1.186 1177 A CA 1.825 53.880 52.037 0.030 0.000 0.616 1177 A CB -1.144 17.866 19.000 0.018 0.000 0.823 1177 A HN 0.412 nan 8.150 nan 0.000 0.442 1178 A N -0.505 122.348 122.820 0.056 0.000 2.024 1178 A HA -0.184 4.113 4.320 -0.037 0.000 0.220 1178 A C 1.965 179.681 177.584 0.219 0.000 1.164 1178 A CA 1.801 53.924 52.037 0.144 0.000 0.643 1178 A CB -0.494 18.488 19.000 -0.030 0.000 0.806 1178 A HN 0.696 nan 8.150 nan 0.000 0.451 1179 E N -0.285 119.988 120.200 0.121 0.000 2.106 1179 E HA -0.082 4.246 4.350 -0.037 0.000 0.192 1179 E C 2.078 178.732 176.600 0.089 0.000 0.984 1179 E CA 0.890 57.357 56.400 0.113 0.000 0.806 1179 E CB -0.190 29.549 29.700 0.065 0.000 0.750 1179 E HN 0.572 nan 8.360 nan 0.000 0.458 1180 A N 0.250 123.112 122.820 0.070 0.000 1.970 1180 A HA 0.176 4.473 4.320 -0.037 0.000 0.216 1180 A C 1.369 178.984 177.584 0.052 0.000 1.170 1180 A CA 1.131 53.197 52.037 0.049 0.000 0.645 1180 A CB -0.207 18.815 19.000 0.037 0.000 0.816 1180 A HN 0.417 nan 8.150 nan 0.000 0.447 1181 G N -0.987 107.861 108.800 0.081 0.000 3.043 1181 G HA2 0.012 3.949 3.960 -0.037 0.000 0.239 1181 G HA3 0.012 3.949 3.960 -0.037 0.000 0.239 1181 G C -0.195 174.743 174.900 0.063 0.000 1.042 1181 G CA 0.304 45.450 45.100 0.076 0.000 1.189 1181 G HN 0.304 nan 8.290 nan 0.000 0.578 1182 E N -1.138 119.112 120.200 0.083 0.000 2.576 1182 E HA 0.333 4.661 4.350 -0.037 0.000 0.214 1182 E C 0.605 177.245 176.600 0.067 0.000 0.859 1182 E CA 0.774 57.208 56.400 0.057 0.000 1.399 1182 E CB 0.819 30.542 29.700 0.038 0.000 1.374 1182 E HN 0.845 nan 8.360 nan 0.000 0.718 1183 I N -1.835 118.798 120.570 0.105 0.000 2.913 1183 I HA 0.403 4.551 4.170 -0.037 0.000 0.302 1183 I C 0.055 176.292 176.117 0.201 0.000 1.246 1183 I CA -0.594 60.765 61.300 0.099 0.000 1.010 1183 I CB 1.958 39.977 38.000 0.032 0.000 1.259 1183 I HN -0.249 nan 8.210 nan 0.000 0.434 1184 Q N 0.860 120.767 119.800 0.179 0.000 2.215 1184 Q HA 0.389 4.706 4.340 -0.037 0.000 0.257 1184 Q C -0.302 175.756 176.000 0.098 0.000 0.792 1184 Q CA -0.003 55.971 55.803 0.285 0.000 0.958 1184 Q CB 1.604 30.534 28.738 0.319 0.000 1.158 1184 Q HN 0.758 nan 8.270 nan 0.000 0.490 1185 E N 0.100 120.330 120.200 0.050 0.000 2.393 1185 E HA 0.627 4.954 4.350 -0.037 0.000 0.265 1185 E C -1.277 175.305 176.600 -0.030 0.000 0.941 1185 E CA -0.945 55.463 56.400 0.014 0.000 0.801 1185 E CB 3.053 32.778 29.700 0.042 0.000 1.313 1185 E HN -0.238 nan 8.360 nan 0.000 0.435 1186 V N 2.258 122.143 119.914 -0.049 0.000 2.610 1186 V HA 0.261 4.359 4.120 -0.037 0.000 0.298 1186 V C -2.536 173.470 176.094 -0.145 0.000 1.067 1186 V CA -1.547 60.696 62.300 -0.094 0.000 0.894 1186 V CB 1.853 33.619 31.823 -0.094 0.000 1.015 1186 V HN 0.538 nan 8.190 nan 0.000 0.432 1187 P HA 0.271 nan 4.420 nan 0.000 0.275 1187 P C -0.839 176.218 177.300 -0.405 0.000 1.276 1187 P CA 0.209 62.966 63.100 -0.573 0.000 0.782 1187 P CB 1.952 33.166 31.700 -0.809 0.000 0.851 1188 V N 5.092 124.849 119.914 -0.261 0.000 2.851 1188 V HA 0.395 4.493 4.120 -0.037 0.000 0.307 1188 V C -0.229 175.842 176.094 -0.037 0.000 1.129 1188 V CA -1.032 61.181 62.300 -0.145 0.000 0.932 1188 V CB 2.543 34.300 31.823 -0.111 0.000 1.024 1188 V HN 0.346 nan 8.190 nan 0.000 0.426 1189 R N 2.827 123.294 120.500 -0.055 0.000 2.861 1189 R HA 0.581 4.899 4.340 -0.037 0.000 0.268 1189 R C 0.081 176.376 176.300 -0.009 0.000 1.027 1189 R CA 0.702 56.796 56.100 -0.011 0.000 1.163 1189 R CB 0.896 31.163 30.300 -0.056 0.000 1.060 1189 R HN 1.084 nan 8.270 nan 0.000 0.483 1190 S N 0.207 115.918 115.700 0.017 0.000 2.633 1190 S HA 0.271 4.719 4.470 -0.037 0.000 0.271 1190 S C -2.465 172.156 174.600 0.035 0.000 1.112 1190 S CA -1.006 57.206 58.200 0.020 0.000 0.828 1190 S CB 1.397 64.612 63.200 0.024 0.000 1.086 1190 S HN 0.239 nan 8.310 nan 0.000 0.461 1191 P HA 0.087 nan 4.420 nan 0.000 0.220 1191 P C 1.242 178.556 177.300 0.022 0.000 1.148 1191 P CA 0.840 63.965 63.100 0.041 0.000 0.803 1191 P CB -0.024 31.713 31.700 0.061 0.000 0.782 1192 L N -1.081 120.156 121.223 0.023 0.000 2.633 1192 L HA -0.026 4.292 4.340 -0.037 0.000 0.235 1192 L C 0.911 177.786 176.870 0.009 0.000 1.163 1192 L CA 1.445 56.294 54.840 0.015 0.000 0.859 1192 L CB -1.042 41.028 42.059 0.018 0.000 0.973 1192 L HN 0.181 nan 8.230 nan 0.000 0.451 1193 T N -6.069 108.491 114.554 0.011 0.000 3.541 1193 T HA 0.141 4.468 4.350 -0.037 0.000 0.309 1193 T C 0.103 174.805 174.700 0.003 0.000 0.973 1193 T CA -0.532 61.571 62.100 0.006 0.000 0.993 1193 T CB -0.729 68.147 68.868 0.014 0.000 1.206 1193 T HN 0.031 nan 8.240 nan 0.000 0.489 1194 C N 1.708 121.006 119.300 -0.003 0.000 2.656 1194 C HA 0.363 4.801 4.460 -0.037 0.000 0.391 1194 C C 2.009 176.985 174.990 -0.023 0.000 1.300 1194 C CA 0.109 59.123 59.018 -0.007 0.000 2.302 1194 C CB 1.040 28.773 27.740 -0.011 0.000 2.655 1194 C HN 0.861 nan 8.230 nan 0.000 0.656 1195 Q N 0.624 120.412 119.800 -0.020 0.000 2.324 1195 Q HA 0.016 4.334 4.340 -0.037 0.000 0.207 1195 Q C 0.567 176.534 176.000 -0.054 0.000 0.928 1195 Q CA 0.666 56.450 55.803 -0.031 0.000 0.890 1195 Q CB -0.023 28.708 28.738 -0.012 0.000 1.001 1195 Q HN 0.892 nan 8.270 nan 0.000 0.517 1196 T N 2.542 117.072 114.554 -0.040 0.000 2.708 1196 T HA -0.046 4.282 4.350 -0.037 0.000 0.271 1196 T C 0.581 175.227 174.700 -0.090 0.000 0.985 1196 T CA -0.086 61.985 62.100 -0.049 0.000 1.229 1196 T CB 0.629 69.486 68.868 -0.019 0.000 0.934 1196 T HN 0.263 nan 8.240 nan 0.000 0.522 1197 R N 3.425 123.829 120.500 -0.160 0.000 2.325 1197 R HA -0.161 4.156 4.340 -0.037 0.000 0.208 1197 R C 1.149 177.309 176.300 -0.234 0.000 1.043 1197 R CA 1.875 57.791 56.100 -0.307 0.000 0.829 1197 R CB -1.127 28.853 30.300 -0.533 0.000 0.763 1197 R HN 0.812 nan 8.270 nan 0.000 0.446 1198 Y N 0.031 120.281 120.300 -0.084 0.000 2.488 1198 Y HA 0.240 4.768 4.550 -0.037 0.000 0.319 1198 Y C 0.946 176.796 175.900 -0.084 0.000 1.212 1198 Y CA -0.402 57.641 58.100 -0.095 0.000 1.273 1198 Y CB 0.059 38.464 38.460 -0.093 0.000 1.074 1198 Y HN 0.361 nan 8.280 nan 0.000 0.503 1199 G N -0.709 108.115 108.800 0.040 0.000 2.949 1199 G HA2 0.627 4.564 3.960 -0.037 0.000 0.285 1199 G HA3 0.627 4.564 3.960 -0.037 0.000 0.285 1199 G C -1.807 173.079 174.900 -0.023 0.000 1.395 1199 G CA -0.584 44.519 45.100 0.005 0.000 0.901 1199 G HN -0.190 nan 8.290 nan 0.000 0.519 1200 V N 0.201 120.092 119.914 -0.038 0.000 2.610 1200 V HA 0.291 4.389 4.120 -0.037 0.000 0.298 1200 V C 0.614 176.694 176.094 -0.023 0.000 1.067 1200 V CA -1.129 61.148 62.300 -0.039 0.000 0.894 1200 V CB 0.761 32.536 31.823 -0.080 0.000 1.015 1200 V HN 1.283 nan 8.190 nan 0.000 0.432 1201 C N 3.105 122.412 119.300 0.012 0.000 2.640 1201 C HA 0.346 4.784 4.460 -0.037 0.000 0.330 1201 C C 1.745 176.776 174.990 0.069 0.000 1.416 1201 C CA -0.090 58.950 59.018 0.036 0.000 2.396 1201 C CB 0.222 27.988 27.740 0.044 0.000 2.330 1201 C HN 0.976 nan 8.230 nan 0.000 0.704 1202 Q N 0.476 120.330 119.800 0.090 0.000 1.921 1202 Q HA -0.138 4.180 4.340 -0.037 0.000 0.208 1202 Q C 2.374 178.483 176.000 0.181 0.000 0.994 1202 Q CA 1.828 57.721 55.803 0.149 0.000 0.857 1202 Q CB -0.205 28.626 28.738 0.154 0.000 0.925 1202 Q HN 0.656 nan 8.270 nan 0.000 0.421 1203 K N 0.138 120.619 120.400 0.134 0.000 2.127 1203 K HA -0.196 4.102 4.320 -0.037 0.000 0.208 1203 K C 2.070 178.654 176.600 -0.026 0.000 1.047 1203 K CA 1.226 57.522 56.287 0.014 0.000 0.927 1203 K CB -0.652 31.843 32.500 -0.010 0.000 0.716 1203 K HN 0.358 nan 8.250 nan 0.000 0.450 1204 C N -0.155 119.165 119.300 0.034 0.000 2.464 1204 C HA -0.052 4.385 4.460 -0.037 0.000 0.278 1204 C C 2.478 177.517 174.990 0.082 0.000 1.375 1204 C CA -0.230 58.808 59.018 0.033 0.000 1.761 1204 C CB -0.847 26.919 27.740 0.043 0.000 1.944 1204 C HN 0.380 nan 8.230 nan 0.000 0.509 1205 Y N 1.611 121.884 120.300 -0.044 0.000 2.196 1205 Y HA 0.393 4.921 4.550 -0.037 0.000 0.265 1205 Y C 1.689 177.539 175.900 -0.084 0.000 1.076 1205 Y CA 1.743 59.803 58.100 -0.066 0.000 1.070 1205 Y CB -0.834 37.602 38.460 -0.039 0.000 1.009 1205 Y HN 0.340 nan 8.280 nan 0.000 0.473 1206 G N -2.523 106.256 108.800 -0.034 0.000 2.451 1206 G HA2 -0.138 3.800 3.960 -0.037 0.000 0.083 1206 G HA3 -0.138 3.800 3.960 -0.037 0.000 0.083 1206 G C 0.160 175.162 174.900 0.171 0.000 1.107 1206 G CA 0.012 45.060 45.100 -0.086 0.000 1.117 1206 G HN 0.353 nan 8.290 nan 0.000 0.454 1207 Y N 0.679 120.860 120.300 -0.199 0.000 2.344 1207 Y HA 0.311 4.839 4.550 -0.038 0.000 0.261 1207 Y C 1.218 176.980 175.900 -0.231 0.000 1.080 1207 Y CA 0.506 58.507 58.100 -0.165 0.000 1.151 1207 Y CB 0.189 38.480 38.460 -0.282 0.000 1.059 1207 Y HN 0.396 nan 8.280 nan 0.000 0.490 1208 D N 2.272 122.552 120.400 -0.200 0.000 3.757 1208 D HA -0.103 4.515 4.640 -0.037 0.000 0.272 1208 D C -0.324 175.899 176.300 -0.129 0.000 1.541 1208 D CA 0.172 54.020 54.000 -0.255 0.000 1.161 1208 D CB -0.319 40.308 40.800 -0.290 0.000 1.224 1208 D HN 0.039 nan 8.370 nan 0.000 0.658 1209 L N 2.587 123.751 121.223 -0.099 0.000 2.751 1209 L HA 0.338 4.656 4.340 -0.037 0.000 0.241 1209 L C 1.530 178.368 176.870 -0.053 0.000 1.146 1209 L CA -0.041 54.786 54.840 -0.022 0.000 0.879 1209 L CB 0.370 42.410 42.059 -0.032 0.000 1.687 1209 L HN 0.310 nan 8.230 nan 0.000 0.527 1210 S N -0.358 115.318 115.700 -0.041 0.000 2.419 1210 S HA -0.122 4.326 4.470 -0.037 0.000 0.235 1210 S C 0.976 175.526 174.600 -0.083 0.000 1.019 1210 S CA 1.149 59.309 58.200 -0.067 0.000 0.982 1210 S CB -0.455 62.713 63.200 -0.053 0.000 0.789 1210 S HN 0.486 nan 8.310 nan 0.000 0.490 1211 M N 0.167 119.746 119.600 -0.035 0.000 1.774 1211 M HA 0.395 4.852 4.480 -0.037 0.000 0.176 1211 M C 1.368 177.629 176.300 -0.064 0.000 1.202 1211 M CA 0.462 55.795 55.300 0.054 0.000 0.883 1211 M CB 0.037 32.672 32.600 0.058 0.000 1.104 1211 M HN 0.017 nan 8.290 nan 0.000 0.482 1212 A N -1.053 121.769 122.820 0.004 0.000 2.508 1212 A HA 0.227 4.525 4.320 -0.037 0.000 0.250 1212 A C 0.814 177.863 177.584 -0.891 0.000 1.208 1212 A CA -0.425 51.425 52.037 -0.312 0.000 0.960 1212 A CB -0.023 19.060 19.000 0.138 0.000 1.099 1212 A HN 0.673 nan 8.150 nan 0.000 0.542 1213 R N -0.044 120.162 120.500 -0.489 0.000 2.811 1213 R HA 0.407 4.724 4.340 -0.037 0.000 0.237 1213 R C -2.768 173.308 176.300 -0.373 0.000 1.231 1213 R CA -1.337 54.495 56.100 -0.446 0.000 1.070 1213 R CB -1.394 28.777 30.300 -0.214 0.000 1.126 1213 R HN -0.084 nan 8.270 nan 0.000 0.540 1214 P HA 0.025 nan 4.420 nan 0.000 0.276 1214 P C -0.438 176.834 177.300 -0.046 0.000 1.261 1214 P CA -0.572 62.465 63.100 -0.104 0.000 0.800 1214 P CB 0.559 32.018 31.700 -0.402 0.000 1.066 1215 V N 1.402 121.357 119.914 0.069 0.000 2.694 1215 V HA 0.037 4.135 4.120 -0.037 0.000 0.306 1215 V C 0.307 176.411 176.094 0.017 0.000 1.054 1215 V CA 0.784 63.142 62.300 0.097 0.000 1.161 1215 V CB 0.362 32.361 31.823 0.294 0.000 0.916 1215 V HN 0.512 nan 8.190 nan 0.000 0.490 1216 S N 5.943 121.629 115.700 -0.024 0.000 2.554 1216 S HA 0.545 4.993 4.470 -0.037 0.000 0.278 1216 S C -0.104 174.428 174.600 -0.113 0.000 1.242 1216 S CA -0.798 57.351 58.200 -0.085 0.000 1.051 1216 S CB 0.525 63.668 63.200 -0.095 0.000 0.986 1216 S HN 0.610 nan 8.310 nan 0.000 0.502 1217 I N 3.165 123.610 120.570 -0.208 0.000 2.872 1217 I HA 0.191 4.339 4.170 -0.037 0.000 0.291 1217 I C 1.552 177.539 176.117 -0.216 0.000 1.216 1217 I CA 0.992 62.128 61.300 -0.272 0.000 1.424 1217 I CB 0.062 37.697 38.000 -0.610 0.000 1.351 1217 I HN 0.970 nan 8.210 nan 0.000 0.592 1218 G N 3.529 112.245 108.800 -0.140 0.000 2.149 1218 G HA2 -0.256 3.681 3.960 -0.037 0.000 0.235 1218 G HA3 -0.256 3.681 3.960 -0.037 0.000 0.235 1218 G C -0.033 174.830 174.900 -0.062 0.000 1.018 1218 G CA -0.035 45.020 45.100 -0.076 0.000 0.728 1218 G HN 0.764 nan 8.290 nan 0.000 0.508 1219 E N 0.022 120.177 120.200 -0.075 0.000 2.231 1219 E HA 0.663 4.991 4.350 -0.037 0.000 0.277 1219 E C 0.867 177.420 176.600 -0.078 0.000 0.999 1219 E CA -0.298 56.064 56.400 -0.063 0.000 0.827 1219 E CB 0.949 30.620 29.700 -0.049 0.000 1.101 1219 E HN 0.618 nan 8.360 nan 0.000 0.393 1220 A N 4.825 127.612 122.820 -0.054 0.000 3.029 1220 A HA 0.102 4.400 4.320 -0.037 0.000 0.251 1220 A C 1.199 178.741 177.584 -0.069 0.000 1.749 1220 A CA -0.185 51.822 52.037 -0.051 0.000 1.386 1220 A CB -0.685 18.303 19.000 -0.020 0.000 1.043 1220 A HN 0.555 nan 8.150 nan 0.000 0.638 1221 V N 1.217 121.042 119.914 -0.149 0.000 2.317 1221 V HA -0.336 3.762 4.120 -0.037 0.000 0.251 1221 V C 2.883 178.926 176.094 -0.085 0.000 1.065 1221 V CA 2.459 64.634 62.300 -0.209 0.000 1.049 1221 V CB -1.282 30.192 31.823 -0.581 0.000 0.651 1221 V HN 0.762 nan 8.190 nan 0.000 0.450 1222 G N 0.088 108.842 108.800 -0.075 0.000 2.631 1222 G HA2 -0.323 3.615 3.960 -0.037 0.000 0.219 1222 G HA3 -0.323 3.615 3.960 -0.037 0.000 0.219 1222 G C 1.438 176.350 174.900 0.020 0.000 1.214 1222 G CA 1.662 46.752 45.100 -0.017 0.000 0.785 1222 G HN 0.459 nan 8.290 nan 0.000 0.596 1223 I N 0.455 121.035 120.570 0.016 0.000 2.163 1223 I HA -0.098 4.050 4.170 -0.037 0.000 0.240 1223 I C 2.944 179.062 176.117 0.001 0.000 1.081 1223 I CA 0.508 61.819 61.300 0.019 0.000 1.353 1223 I CB -0.640 37.370 38.000 0.016 0.000 1.054 1223 I HN 0.053 nan 8.210 nan 0.000 0.407 1224 V N 0.962 120.874 119.914 -0.002 0.000 2.439 1224 V HA -0.367 3.730 4.120 -0.037 0.000 0.253 1224 V C 2.550 178.594 176.094 -0.083 0.000 1.074 1224 V CA 1.970 64.262 62.300 -0.015 0.000 1.076 1224 V CB -1.507 30.339 31.823 0.039 0.000 0.664 1224 V HN 0.521 nan 8.190 nan 0.000 0.461 1225 A N -0.028 122.793 122.820 0.001 0.000 1.835 1225 A HA 0.061 4.359 4.320 -0.037 0.000 0.213 1225 A C 2.475 180.032 177.584 -0.045 0.000 1.210 1225 A CA 1.604 53.647 52.037 0.010 0.000 0.605 1225 A CB -1.055 18.066 19.000 0.203 0.000 0.860 1225 A HN 0.566 nan 8.150 nan 0.000 0.447 1226 A N -0.716 122.113 122.820 0.014 0.000 1.997 1226 A HA -0.287 4.011 4.320 -0.037 0.000 0.221 1226 A C 2.121 179.689 177.584 -0.027 0.000 1.172 1226 A CA 2.067 54.107 52.037 0.005 0.000 0.645 1226 A CB -0.618 18.395 19.000 0.021 0.000 0.813 1226 A HN 0.702 nan 8.150 nan 0.000 0.454 1227 Q N -0.373 119.406 119.800 -0.037 0.000 1.994 1227 Q HA -0.120 4.198 4.340 -0.037 0.000 0.198 1227 Q C 2.489 178.473 176.000 -0.026 0.000 0.976 1227 Q CA 1.806 57.597 55.803 -0.020 0.000 0.828 1227 Q CB -0.280 28.459 28.738 0.001 0.000 0.894 1227 Q HN 0.855 nan 8.270 nan 0.000 0.432 1228 S N 0.335 115.965 115.700 -0.117 0.000 2.462 1228 S HA -0.147 4.300 4.470 -0.037 0.000 0.243 1228 S C 1.664 176.225 174.600 -0.065 0.000 1.003 1228 S CA 1.086 59.198 58.200 -0.147 0.000 0.970 1228 S CB -0.387 62.547 63.200 -0.443 0.000 0.762 1228 S HN 0.331 nan 8.310 nan 0.000 0.510 1229 I N 0.739 121.278 120.570 -0.052 0.000 3.854 1229 I HA 0.227 4.374 4.170 -0.037 0.000 0.312 1229 I C 2.494 178.654 176.117 0.072 0.000 1.273 1229 I CA 0.448 61.744 61.300 -0.007 0.000 1.298 1229 I CB -0.337 37.645 38.000 -0.030 0.000 1.071 1229 I HN 0.429 nan 8.210 nan 0.000 0.428 1230 G N 1.319 110.140 108.800 0.034 0.000 2.411 1230 G HA2 -0.216 3.721 3.960 -0.037 0.000 0.213 1230 G HA3 -0.216 3.721 3.960 -0.037 0.000 0.213 1230 G C 1.455 176.392 174.900 0.061 0.000 1.166 1230 G CA 0.791 45.913 45.100 0.037 0.000 0.802 1230 G HN 0.420 nan 8.290 nan 0.000 0.533 1231 E N 1.722 121.962 120.200 0.067 0.000 2.017 1231 E HA -0.081 4.247 4.350 -0.037 0.000 0.193 1231 E C 0.054 176.709 176.600 0.092 0.000 0.997 1231 E CA 1.567 58.005 56.400 0.064 0.000 0.804 1231 E CB -1.167 28.605 29.700 0.120 0.000 0.757 1231 E HN 0.323 nan 8.360 nan 0.000 0.448 1232 P HA -0.074 nan 4.420 nan 0.000 0.218 1232 P C 1.408 178.757 177.300 0.081 0.000 1.146 1232 P CA 1.921 65.123 63.100 0.171 0.000 0.813 1232 P CB -0.378 31.542 31.700 0.366 0.000 0.778 1233 G N 0.024 108.895 108.800 0.118 0.000 2.503 1233 G HA2 -0.331 3.607 3.960 -0.037 0.000 0.221 1233 G HA3 -0.331 3.607 3.960 -0.037 0.000 0.221 1233 G C 1.500 176.384 174.900 -0.027 0.000 1.131 1233 G CA 1.870 46.986 45.100 0.026 0.000 0.756 1233 G HN 0.375 nan 8.290 nan 0.000 0.572 1234 T N -1.756 112.795 114.554 -0.004 0.000 2.929 1234 T HA -0.077 4.250 4.350 -0.037 0.000 0.271 1234 T C 2.181 176.858 174.700 -0.038 0.000 1.085 1234 T CA 1.637 63.727 62.100 -0.017 0.000 1.125 1234 T CB -0.141 68.723 68.868 -0.007 0.000 0.874 1234 T HN 0.363 nan 8.240 nan 0.000 0.494 1235 Q N 0.152 119.922 119.800 -0.050 0.000 2.331 1235 Q HA 0.389 4.707 4.340 -0.037 0.000 0.203 1235 Q C 0.718 176.662 176.000 -0.093 0.000 0.944 1235 Q CA 0.110 55.877 55.803 -0.060 0.000 0.892 1235 Q CB -0.182 28.527 28.738 -0.049 0.000 0.983 1235 Q HN 0.555 nan 8.270 nan 0.000 0.482 1236 L N 0.350 121.491 121.223 -0.136 0.000 2.474 1236 L HA 0.097 4.415 4.340 -0.037 0.000 0.259 1236 L C 0.420 177.226 176.870 -0.106 0.000 1.232 1236 L CA -0.183 54.565 54.840 -0.153 0.000 0.821 1236 L CB 0.372 42.304 42.059 -0.211 0.000 1.108 1236 L HN 0.029 nan 8.230 nan 0.000 0.495 1237 T N 1.816 116.312 114.554 -0.097 0.000 2.904 1237 T HA 0.296 4.624 4.350 -0.037 0.000 0.290 1237 T C 0.057 174.692 174.700 -0.109 0.000 1.018 1237 T CA -0.274 61.774 62.100 -0.087 0.000 1.075 1237 T CB 1.070 69.897 68.868 -0.069 0.000 0.986 1237 T HN 0.349 nan 8.240 nan 0.000 0.523 1238 M N 2.829 122.351 119.600 -0.129 0.000 1.949 1238 M HA 0.298 4.756 4.480 -0.037 0.000 0.234 1238 M C 0.321 176.497 176.300 -0.206 0.000 0.855 1238 M CA -0.334 54.846 55.300 -0.200 0.000 0.800 1238 M CB 0.427 32.891 32.600 -0.227 0.000 1.697 1238 M HN 0.619 nan 8.290 nan 0.000 0.357 1239 R N 0.589 120.982 120.500 -0.178 0.000 2.074 1239 R HA 0.206 4.523 4.340 -0.037 0.000 0.218 1239 R C 0.206 176.391 176.300 -0.191 0.000 1.137 1239 R CA 1.126 57.139 56.100 -0.146 0.000 0.998 1239 R CB 0.290 30.538 30.300 -0.088 0.000 0.895 1239 R HN 0.632 nan 8.270 nan 0.000 0.442 1240 T N -2.624 111.806 114.554 -0.208 0.000 3.193 1240 T HA 0.291 4.618 4.350 -0.037 0.000 0.332 1240 T C 0.343 174.930 174.700 -0.189 0.000 1.208 1240 T CA -0.772 61.202 62.100 -0.210 0.000 1.080 1240 T CB 0.896 69.732 68.868 -0.053 0.000 1.180 1240 T HN -0.071 nan 8.240 nan 0.000 0.469 1241 F N 0.877 120.785 119.950 -0.071 0.000 2.021 1241 F HA -0.151 4.353 4.527 -0.037 0.000 0.297 1241 F C 2.058 177.786 175.800 -0.119 0.000 1.152 1241 F CA 1.298 59.215 58.000 -0.138 0.000 1.201 1241 F CB -0.369 38.490 39.000 -0.234 0.000 0.951 1241 F HN 0.625 nan 8.300 nan 0.000 0.504 1242 H N 1.630 120.844 119.070 0.240 0.000 2.970 1242 H HA 0.133 4.666 4.556 -0.037 0.000 0.226 1242 H C 0.152 175.532 175.328 0.087 0.000 1.909 1242 H CA -0.138 55.995 56.048 0.141 0.000 1.388 1242 H CB -1.450 28.384 29.762 0.120 0.000 1.773 1242 H HN 0.137 nan 8.280 nan 0.000 0.559 1243 T N 0.229 114.871 114.554 0.147 0.000 2.785 1243 T HA 0.111 4.439 4.350 -0.037 0.000 0.339 1243 T C 1.112 175.854 174.700 0.070 0.000 1.047 1243 T CA 0.887 63.030 62.100 0.072 0.000 1.135 1243 T CB 0.274 69.174 68.868 0.053 0.000 1.085 1243 T HN 0.893 nan 8.240 nan 0.000 0.510 1244 G N -0.192 108.631 108.800 0.038 0.000 2.733 1244 G HA2 0.373 4.310 3.960 -0.037 0.000 0.686 1244 G HA3 0.373 4.310 3.960 -0.037 0.000 0.686 1244 G C -0.187 174.732 174.900 0.032 0.000 1.373 1244 G CA -0.405 44.715 45.100 0.033 0.000 0.838 1244 G HN 1.385 nan 8.290 nan 0.000 0.588 1245 G N -1.144 107.669 108.800 0.023 0.000 2.513 1245 G HA2 0.712 4.650 3.960 -0.037 0.000 0.317 1245 G HA3 0.712 4.650 3.960 -0.037 0.000 0.317 1245 G C -0.068 174.844 174.900 0.019 0.000 1.277 1245 G CA -0.088 45.025 45.100 0.020 0.000 0.955 1245 G HN 1.526 nan 8.290 nan 0.000 0.484 1246 V N 1.405 121.331 119.914 0.020 0.000 2.416 1246 V HA 0.413 4.511 4.120 -0.037 0.000 0.267 1246 V C 0.674 176.775 176.094 0.012 0.000 1.007 1246 V CA 1.043 63.353 62.300 0.016 0.000 1.102 1246 V CB -0.510 31.323 31.823 0.016 0.000 1.035 1246 V HN 1.227 nan 8.190 nan 0.000 0.473 1247 A N 4.146 126.973 122.820 0.012 0.000 2.562 1247 A HA 0.649 4.946 4.320 -0.037 0.000 0.305 1247 A C 0.566 178.157 177.584 0.011 0.000 1.059 1247 A CA 0.144 52.186 52.037 0.009 0.000 0.835 1247 A CB 0.600 19.603 19.000 0.005 0.000 1.299 1247 A HN 1.739 nan 8.150 nan 0.000 0.392 1248 G N 1.419 110.226 108.800 0.010 0.000 2.952 1248 G HA2 0.169 4.106 3.960 -0.037 0.000 0.346 1248 G HA3 0.169 4.106 3.960 -0.037 0.000 0.346 1248 G C 0.926 175.835 174.900 0.015 0.000 1.191 1248 G CA 1.896 47.004 45.100 0.013 0.000 0.961 1248 G HN 2.731 nan 8.290 nan 0.000 0.588 1249 A N -0.839 121.991 122.820 0.017 0.000 3.399 1249 A HA 0.832 5.130 4.320 -0.037 0.000 0.262 1249 A C 0.054 177.650 177.584 0.021 0.000 1.145 1249 A CA 1.019 53.067 52.037 0.019 0.000 0.916 1249 A CB 0.262 19.273 19.000 0.020 0.000 1.360 1249 A HN 2.308 nan 8.150 nan 0.000 0.628 1250 A N 0.815 123.647 122.820 0.021 0.000 2.437 1250 A HA 0.510 4.808 4.320 -0.037 0.000 0.303 1250 A C 0.432 178.032 177.584 0.026 0.000 1.324 1250 A CA -0.112 51.939 52.037 0.023 0.000 0.983 1250 A CB -0.101 18.913 19.000 0.022 0.000 1.142 1250 A HN 0.535 nan 8.150 nan 0.000 0.541 1251 D N 2.017 122.433 120.400 0.027 0.000 2.121 1251 D HA 0.048 4.666 4.640 -0.037 0.000 0.209 1251 D C 1.208 177.530 176.300 0.036 0.000 0.981 1251 D CA 1.194 55.212 54.000 0.030 0.000 0.875 1251 D CB -0.140 40.678 40.800 0.029 0.000 1.016 1251 D HN 0.654 nan 8.370 nan 0.000 0.452 1252 I N -0.859 119.734 120.570 0.038 0.000 3.783 1252 I HA 0.269 4.417 4.170 -0.037 0.000 0.272 1252 I C 0.605 176.749 176.117 0.045 0.000 1.329 1252 I CA -0.537 60.790 61.300 0.045 0.000 0.887 1252 I CB 0.812 38.840 38.000 0.046 0.000 1.596 1252 I HN -0.080 nan 8.210 nan 0.000 0.712 1253 T N 1.040 115.625 114.554 0.050 0.000 2.928 1253 T HA 0.401 4.729 4.350 -0.037 0.000 0.296 1253 T C -0.802 173.922 174.700 0.039 0.000 1.000 1253 T CA -0.664 61.466 62.100 0.050 0.000 0.989 1253 T CB 1.376 70.289 68.868 0.074 0.000 1.005 1253 T HN 0.499 nan 8.240 nan 0.000 0.442 1254 Q N 1.985 121.798 119.800 0.021 0.000 2.486 1254 Q HA 0.738 5.056 4.340 -0.037 0.000 0.274 1254 Q C 0.858 176.853 176.000 -0.008 0.000 1.076 1254 Q CA 0.014 55.823 55.803 0.009 0.000 0.872 1254 Q CB 1.222 29.959 28.738 -0.001 0.000 1.383 1254 Q HN 1.334 nan 8.270 nan 0.000 0.478 1255 G N 0.361 109.144 108.800 -0.028 0.000 2.740 1255 G HA2 -0.312 3.626 3.960 -0.037 0.000 0.250 1255 G HA3 -0.312 3.626 3.960 -0.037 0.000 0.250 1255 G C 0.570 175.447 174.900 -0.038 0.000 1.358 1255 G CA 0.183 45.247 45.100 -0.060 0.000 0.897 1255 G HN 0.587 nan 8.290 nan 0.000 0.567 1256 L N 1.388 122.574 121.223 -0.061 0.000 2.054 1256 L HA -0.082 4.236 4.340 -0.037 0.000 0.220 1256 L C 0.560 177.461 176.870 0.052 0.000 1.081 1256 L CA 3.702 58.537 54.840 -0.009 0.000 0.780 1256 L CB -1.281 40.760 42.059 -0.030 0.000 0.893 1256 L HN 0.509 nan 8.230 nan 0.000 0.438 1257 P HA -0.246 nan 4.420 nan 0.000 0.218 1257 P C 1.589 178.955 177.300 0.109 0.000 1.154 1257 P CA 1.945 65.075 63.100 0.049 0.000 0.872 1257 P CB -0.132 31.555 31.700 -0.021 0.000 0.790 1258 R N -0.357 120.200 120.500 0.095 0.000 2.062 1258 R HA -0.080 4.237 4.340 -0.037 0.000 0.229 1258 R C 1.901 178.305 176.300 0.173 0.000 1.128 1258 R CA 1.296 57.469 56.100 0.122 0.000 0.960 1258 R CB -0.761 29.592 30.300 0.090 0.000 0.855 1258 R HN -0.007 nan 8.270 nan 0.000 0.432 1259 V N 1.715 121.751 119.914 0.203 0.000 2.546 1259 V HA -0.290 3.807 4.120 -0.037 0.000 0.254 1259 V C 2.339 178.677 176.094 0.407 0.000 1.076 1259 V CA 1.314 63.824 62.300 0.350 0.000 1.087 1259 V CB -0.579 31.463 31.823 0.365 0.000 0.674 1259 V HN 0.313 nan 8.190 nan 0.000 0.470 1260 I N 0.226 120.956 120.570 0.268 0.000 2.133 1260 I HA -0.164 3.984 4.170 -0.037 0.000 0.238 1260 I C 2.607 178.871 176.117 0.246 0.000 1.074 1260 I CA 1.485 62.931 61.300 0.243 0.000 1.342 1260 I CB -1.336 36.778 38.000 0.189 0.000 1.053 1260 I HN 0.412 nan 8.210 nan 0.000 0.404 1261 E N 0.407 120.734 120.200 0.213 0.000 2.171 1261 E HA -0.249 4.079 4.350 -0.037 0.000 0.197 1261 E C 2.142 178.850 176.600 0.180 0.000 0.997 1261 E CA 1.146 57.681 56.400 0.225 0.000 0.810 1261 E CB -0.067 29.767 29.700 0.224 0.000 0.738 1261 E HN 0.257 nan 8.360 nan 0.000 0.467 1262 L N -0.692 120.640 121.223 0.181 0.000 2.034 1262 L HA -0.058 4.260 4.340 -0.037 0.000 0.203 1262 L C 1.957 178.863 176.870 0.059 0.000 1.074 1262 L CA 1.457 56.344 54.840 0.078 0.000 0.748 1262 L CB -0.673 41.402 42.059 0.026 0.000 0.905 1262 L HN 0.057 nan 8.230 nan 0.000 0.439 1263 F N -0.364 119.628 119.950 0.070 0.000 2.494 1263 F HA -0.095 4.410 4.527 -0.037 0.000 0.298 1263 F C 0.786 176.625 175.800 0.065 0.000 1.106 1263 F CA 0.538 58.578 58.000 0.067 0.000 1.452 1263 F CB -0.228 38.820 39.000 0.081 0.000 1.085 1263 F HN 0.051 nan 8.300 nan 0.000 0.569 1264 E N 0.310 120.653 120.200 0.238 0.000 2.376 1264 E HA 0.417 4.745 4.350 -0.037 0.000 0.236 1264 E C -0.194 176.478 176.600 0.120 0.000 0.962 1264 E CA -0.303 56.199 56.400 0.171 0.000 0.768 1264 E CB 0.562 30.372 29.700 0.183 0.000 1.236 1264 E HN 0.094 nan 8.360 nan 0.000 0.431 1265 A N 4.447 127.296 122.820 0.048 0.000 2.504 1265 A HA -0.031 4.267 4.320 -0.037 0.000 0.280 1265 A C 0.137 177.715 177.584 -0.009 0.000 1.125 1265 A CA 0.810 52.800 52.037 -0.078 0.000 0.873 1265 A CB -0.247 18.604 19.000 -0.249 0.000 0.997 1265 A HN 0.470 nan 8.150 nan 0.000 0.542 1266 R N 0.616 121.137 120.500 0.034 0.000 2.869 1266 R HA 0.458 4.776 4.340 -0.037 0.000 0.263 1266 R C -0.280 176.052 176.300 0.054 0.000 1.066 1266 R CA -1.268 54.883 56.100 0.085 0.000 0.960 1266 R CB 1.297 31.672 30.300 0.126 0.000 1.221 1266 R HN 0.646 nan 8.270 nan 0.000 0.474 1267 R N 2.027 122.548 120.500 0.034 0.000 2.413 1267 R HA 0.110 4.428 4.340 -0.037 0.000 0.333 1267 R C -2.134 174.168 176.300 0.002 0.000 1.074 1267 R CA -0.851 55.258 56.100 0.014 0.000 0.982 1267 R CB -0.039 30.254 30.300 -0.011 0.000 0.981 1267 R HN 0.251 nan 8.270 nan 0.000 0.452 1268 P HA -0.015 nan 4.420 nan 0.000 0.271 1268 P C 0.188 177.508 177.300 0.033 0.000 1.244 1268 P CA -0.491 62.640 63.100 0.052 0.000 0.793 1268 P CB 0.706 32.446 31.700 0.066 0.000 0.984 1269 K N 0.609 121.038 120.400 0.048 0.000 1.973 1269 K HA -0.018 4.280 4.320 -0.037 0.000 0.212 1269 K C 0.808 177.423 176.600 0.026 0.000 1.047 1269 K CA 1.605 57.914 56.287 0.037 0.000 0.937 1269 K CB -0.917 31.613 32.500 0.050 0.000 0.721 1269 K HN 0.531 nan 8.250 nan 0.000 0.440 1270 A N 2.412 125.250 122.820 0.031 0.000 2.969 1270 A HA 0.189 4.486 4.320 -0.037 0.000 0.328 1270 A C -0.186 177.408 177.584 0.016 0.000 1.355 1270 A CA -0.430 51.620 52.037 0.021 0.000 1.018 1270 A CB -0.179 18.836 19.000 0.025 0.000 1.159 1270 A HN 0.199 nan 8.150 nan 0.000 0.505 1271 K N 1.500 121.904 120.400 0.005 0.000 2.485 1271 K HA 0.345 4.642 4.320 -0.037 0.000 0.277 1271 K C 0.087 176.672 176.600 -0.026 0.000 0.990 1271 K CA 0.395 56.677 56.287 -0.007 0.000 0.994 1271 K CB 0.385 32.874 32.500 -0.018 0.000 0.906 1271 K HN 0.593 nan 8.250 nan 0.000 0.488 1272 A N 4.040 126.836 122.820 -0.039 0.000 2.271 1272 A HA 0.308 4.605 4.320 -0.037 0.000 0.317 1272 A C -0.470 177.047 177.584 -0.112 0.000 1.245 1272 A CA -0.856 51.145 52.037 -0.060 0.000 0.857 1272 A CB 0.801 19.775 19.000 -0.043 0.000 1.175 1272 A HN 0.702 nan 8.150 nan 0.000 0.512 1273 V N 2.164 121.987 119.914 -0.151 0.000 2.458 1273 V HA 0.393 4.491 4.120 -0.037 0.000 0.287 1273 V C 0.055 175.978 176.094 -0.284 0.000 1.009 1273 V CA -0.221 61.915 62.300 -0.274 0.000 1.091 1273 V CB -1.265 30.330 31.823 -0.380 0.000 0.960 1273 V HN 0.677 nan 8.190 nan 0.000 0.476 1274 I N 3.041 123.444 120.570 -0.279 0.000 2.677 1274 I HA 0.622 4.770 4.170 -0.037 0.000 0.305 1274 I C 0.571 176.569 176.117 -0.199 0.000 0.988 1274 I CA -0.531 60.654 61.300 -0.192 0.000 1.260 1274 I CB 1.338 39.253 38.000 -0.141 0.000 1.410 1274 I HN 0.569 nan 8.210 nan 0.000 0.523 1275 S N 1.937 117.631 115.700 -0.009 0.000 2.415 1275 S HA 0.257 4.705 4.470 -0.037 0.000 0.313 1275 S C 0.794 175.491 174.600 0.162 0.000 1.067 1275 S CA -0.467 57.865 58.200 0.220 0.000 1.099 1275 S CB -0.207 63.115 63.200 0.205 0.000 0.991 1275 S HN 0.717 nan 8.310 nan 0.000 0.491 1276 E N 3.541 123.878 120.200 0.229 0.000 2.331 1276 E HA -0.063 4.265 4.350 -0.037 0.000 0.199 1276 E C 0.163 176.826 176.600 0.104 0.000 1.008 1276 E CA 0.849 57.326 56.400 0.128 0.000 0.843 1276 E CB 0.047 29.823 29.700 0.126 0.000 0.761 1276 E HN 0.658 nan 8.360 nan 0.000 0.507 1277 I N 1.158 121.793 120.570 0.109 0.000 2.982 1277 I HA 0.138 4.286 4.170 -0.037 0.000 0.312 1277 I C -0.536 175.579 176.117 -0.003 0.000 1.041 1277 I CA -1.112 60.242 61.300 0.089 0.000 1.053 1277 I CB 1.608 39.684 38.000 0.127 0.000 1.248 1277 I HN -0.126 nan 8.210 nan 0.000 0.471 1278 D N 2.824 123.187 120.400 -0.063 0.000 2.446 1278 D HA 0.540 5.158 4.640 -0.037 0.000 0.251 1278 D C -0.239 175.778 176.300 -0.471 0.000 1.137 1278 D CA -0.307 53.540 54.000 -0.256 0.000 0.890 1278 D CB 1.654 42.431 40.800 -0.039 0.000 1.071 1278 D HN 0.733 nan 8.370 nan 0.000 0.528 1279 G N 0.359 108.794 108.800 -0.609 0.000 2.933 1279 G HA2 0.502 4.439 3.960 -0.037 0.000 0.203 1279 G HA3 0.502 4.439 3.960 -0.037 0.000 0.203 1279 G C -1.163 173.514 174.900 -0.372 0.000 1.170 1279 G CA -0.492 44.340 45.100 -0.446 0.000 0.880 1279 G HN 0.279 nan 8.290 nan 0.000 0.573 1280 V N 0.106 119.941 119.914 -0.132 0.000 2.732 1280 V HA 0.672 4.770 4.120 -0.037 0.000 0.310 1280 V C 0.073 176.161 176.094 -0.009 0.000 1.053 1280 V CA -0.767 61.511 62.300 -0.037 0.000 0.957 1280 V CB 1.577 33.406 31.823 0.011 0.000 1.018 1280 V HN 0.478 nan 8.190 nan 0.000 0.452 1281 V N 3.571 123.497 119.914 0.020 0.000 2.617 1281 V HA 0.622 4.720 4.120 -0.037 0.000 0.298 1281 V C 0.049 176.176 176.094 0.055 0.000 1.048 1281 V CA -0.578 61.750 62.300 0.047 0.000 0.964 1281 V CB 1.531 33.385 31.823 0.051 0.000 1.004 1281 V HN 0.872 nan 8.190 nan 0.000 0.466 1282 R N 3.998 124.549 120.500 0.085 0.000 2.584 1282 R HA 0.681 4.998 4.340 -0.037 0.000 0.276 1282 R C -1.562 174.779 176.300 0.068 0.000 1.046 1282 R CA -0.597 55.532 56.100 0.047 0.000 0.906 1282 R CB 2.279 32.583 30.300 0.006 0.000 1.215 1282 R HN 0.615 nan 8.270 nan 0.000 0.449 1283 I N 0.306 120.883 120.570 0.011 0.000 3.206 1283 I HA 0.544 4.692 4.170 -0.037 0.000 0.313 1283 I C -0.135 175.958 176.117 -0.039 0.000 1.103 1283 I CA -1.119 60.200 61.300 0.031 0.000 0.985 1283 I CB 2.070 40.098 38.000 0.046 0.000 1.240 1283 I HN 0.319 nan 8.210 nan 0.000 0.464 1284 E N 1.649 121.844 120.200 -0.009 0.000 2.445 1284 E HA 0.256 4.584 4.350 -0.037 0.000 0.273 1284 E C -0.678 175.921 176.600 -0.001 0.000 0.961 1284 E CA -0.366 56.014 56.400 -0.034 0.000 0.807 1284 E CB 1.952 31.619 29.700 -0.054 0.000 1.362 1284 E HN 0.675 nan 8.360 nan 0.000 0.453 1285 E N -0.362 119.833 120.200 -0.008 0.000 2.583 1285 E HA 0.091 4.419 4.350 -0.037 0.000 0.213 1285 E C -0.409 176.195 176.600 0.006 0.000 0.989 1285 E CA -0.068 56.333 56.400 0.002 0.000 0.991 1285 E CB -0.151 29.547 29.700 -0.004 0.000 1.040 1285 E HN 0.277 nan 8.360 nan 0.000 0.481 1286 T N 2.099 116.658 114.554 0.008 0.000 2.939 1286 T HA -0.045 4.283 4.350 -0.037 0.000 0.319 1286 T C 0.973 175.682 174.700 0.016 0.000 1.082 1286 T CA 0.429 62.536 62.100 0.011 0.000 1.133 1286 T CB 1.206 70.084 68.868 0.016 0.000 1.019 1286 T HN 0.125 nan 8.240 nan 0.000 0.548 1287 E N 1.830 122.038 120.200 0.013 0.000 2.017 1287 E HA -0.238 4.089 4.350 -0.037 0.000 0.220 1287 E C 1.969 178.580 176.600 0.017 0.000 1.032 1287 E CA 2.195 58.603 56.400 0.013 0.000 0.888 1287 E CB -0.327 29.380 29.700 0.011 0.000 0.801 1287 E HN 0.836 nan 8.360 nan 0.000 0.503 1288 E N 0.042 120.253 120.200 0.018 0.000 2.007 1288 E HA -0.182 4.146 4.350 -0.037 0.000 0.203 1288 E C 0.002 176.618 176.600 0.026 0.000 1.020 1288 E CA 1.394 57.806 56.400 0.020 0.000 0.845 1288 E CB 0.005 29.717 29.700 0.020 0.000 0.779 1288 E HN 0.069 nan 8.360 nan 0.000 0.466 1289 K N 0.342 120.761 120.400 0.032 0.000 2.203 1289 K HA 0.367 4.664 4.320 -0.037 0.000 0.251 1289 K C -0.199 176.433 176.600 0.053 0.000 0.944 1289 K CA -0.608 55.703 56.287 0.041 0.000 0.829 1289 K CB 1.906 34.433 32.500 0.045 0.000 1.125 1289 K HN 0.103 nan 8.250 nan 0.000 0.430 1290 L N 0.654 121.913 121.223 0.059 0.000 2.682 1290 L HA 0.351 4.669 4.340 -0.037 0.000 0.209 1290 L C 0.112 177.051 176.870 0.116 0.000 1.195 1290 L CA -0.288 54.597 54.840 0.074 0.000 0.869 1290 L CB 0.661 42.761 42.059 0.067 0.000 1.599 1290 L HN 0.790 nan 8.230 nan 0.000 0.518 1291 S N -1.242 114.552 115.700 0.156 0.000 2.582 1291 S HA 0.412 4.859 4.470 -0.037 0.000 0.296 1291 S C -1.196 173.604 174.600 0.334 0.000 1.118 1291 S CA -0.995 57.363 58.200 0.263 0.000 0.947 1291 S CB 0.674 64.121 63.200 0.411 0.000 1.131 1291 S HN 0.169 nan 8.310 nan 0.000 0.453 1292 V N 3.326 123.418 119.914 0.297 0.000 2.370 1292 V HA 0.613 4.711 4.120 -0.037 0.000 0.283 1292 V C -1.082 175.169 176.094 0.262 0.000 1.023 1292 V CA -0.415 62.061 62.300 0.293 0.000 0.857 1292 V CB 0.586 32.544 31.823 0.224 0.000 0.985 1292 V HN 0.816 nan 8.190 nan 0.000 0.443 1293 F N 3.676 123.615 119.950 -0.018 0.000 2.426 1293 F HA 0.602 5.106 4.527 -0.037 0.000 0.348 1293 F C 0.129 175.875 175.800 -0.089 0.000 1.124 1293 F CA -0.797 57.151 58.000 -0.087 0.000 1.008 1293 F CB 1.893 40.858 39.000 -0.059 0.000 1.139 1293 F HN 0.193 nan 8.300 nan 0.000 0.452 1294 V N 3.665 123.531 119.914 -0.080 0.000 2.472 1294 V HA 0.641 4.738 4.120 -0.037 0.000 0.290 1294 V C -0.596 175.477 176.094 -0.035 0.000 1.037 1294 V CA -0.709 61.550 62.300 -0.068 0.000 0.908 1294 V CB 1.588 33.334 31.823 -0.129 0.000 0.985 1294 V HN 0.813 nan 8.190 nan 0.000 0.454 1295 E N 2.570 122.760 120.200 -0.018 0.000 2.378 1295 E HA 0.634 4.962 4.350 -0.037 0.000 0.283 1295 E C -1.137 175.434 176.600 -0.049 0.000 0.979 1295 E CA -0.843 55.560 56.400 0.005 0.000 0.795 1295 E CB 1.936 31.668 29.700 0.053 0.000 1.221 1295 E HN 0.613 nan 8.360 nan 0.000 0.428 1296 S N 0.649 116.291 115.700 -0.096 0.000 2.726 1296 S HA 0.282 4.730 4.470 -0.037 0.000 0.308 1296 S C 0.828 175.345 174.600 -0.138 0.000 1.115 1296 S CA -0.577 57.542 58.200 -0.135 0.000 0.965 1296 S CB 1.693 64.762 63.200 -0.219 0.000 1.145 1296 S HN 0.787 nan 8.310 nan 0.000 0.532 1297 E N 0.487 120.620 120.200 -0.112 0.000 2.284 1297 E HA -0.157 4.171 4.350 -0.037 0.000 0.200 1297 E C 1.517 178.040 176.600 -0.128 0.000 1.008 1297 E CA 1.469 57.815 56.400 -0.090 0.000 0.829 1297 E CB -0.783 28.876 29.700 -0.069 0.000 0.744 1297 E HN 0.807 nan 8.360 nan 0.000 0.491 1298 G N 0.344 108.991 108.800 -0.255 0.000 2.607 1298 G HA2 0.028 3.966 3.960 -0.037 0.000 0.215 1298 G HA3 0.028 3.966 3.960 -0.037 0.000 0.215 1298 G C 0.507 175.294 174.900 -0.189 0.000 1.275 1298 G CA 0.940 45.847 45.100 -0.321 0.000 0.842 1298 G HN 0.273 nan 8.290 nan 0.000 0.555 1299 F N -1.292 118.644 119.950 -0.023 0.000 2.849 1299 F HA 0.871 5.376 4.527 -0.037 0.000 0.341 1299 F C -0.463 175.312 175.800 -0.043 0.000 1.185 1299 F CA -2.359 55.623 58.000 -0.030 0.000 1.007 1299 F CB 1.124 40.101 39.000 -0.038 0.000 1.454 1299 F HN 0.041 nan 8.300 nan 0.000 0.518 1300 S N -0.341 115.573 115.700 0.357 0.000 2.588 1300 S HA 0.684 5.131 4.470 -0.037 0.000 0.275 1300 S C -1.662 172.908 174.600 -0.050 0.000 1.130 1300 S CA -0.837 57.457 58.200 0.155 0.000 0.855 1300 S CB 2.222 65.504 63.200 0.135 0.000 1.116 1300 S HN 0.688 nan 8.310 nan 0.000 0.472 1301 K N 1.770 122.024 120.400 -0.244 0.000 2.443 1301 K HA 0.357 4.655 4.320 -0.037 0.000 0.252 1301 K C -1.128 174.944 176.600 -0.880 0.000 0.933 1301 K CA -0.466 55.507 56.287 -0.524 0.000 0.792 1301 K CB 1.403 33.538 32.500 -0.608 0.000 1.185 1301 K HN 0.598 nan 8.250 nan 0.000 0.425 1302 E N 4.116 123.766 120.200 -0.917 0.000 2.301 1302 E HA 0.132 4.460 4.350 -0.037 0.000 0.275 1302 E C -1.133 175.108 176.600 -0.598 0.000 1.030 1302 E CA -0.208 55.470 56.400 -1.203 0.000 0.852 1302 E CB 0.679 29.795 29.700 -0.974 0.000 1.060 1302 E HN 0.684 nan 8.360 nan 0.000 0.401 1303 Y N 3.975 124.045 120.300 -0.384 0.000 2.349 1303 Y HA 0.130 4.658 4.550 -0.037 0.000 0.324 1303 Y C 0.164 176.016 175.900 -0.080 0.000 1.005 1303 Y CA -1.349 56.649 58.100 -0.170 0.000 1.240 1303 Y CB 1.340 39.733 38.460 -0.113 0.000 1.117 1303 Y HN 0.320 nan 8.280 nan 0.000 0.463 1304 K N 5.005 125.471 120.400 0.110 0.000 2.378 1304 K HA 0.233 4.531 4.320 -0.037 0.000 0.288 1304 K C -1.015 175.615 176.600 0.050 0.000 1.057 1304 K CA 0.068 56.397 56.287 0.071 0.000 0.971 1304 K CB 1.123 33.649 32.500 0.043 0.000 0.975 1304 K HN 0.708 nan 8.250 nan 0.000 0.475 1305 L N 5.302 126.560 121.223 0.059 0.000 2.384 1305 L HA 0.278 4.596 4.340 -0.037 0.000 0.261 1305 L C -2.245 174.645 176.870 0.035 0.000 1.024 1305 L CA -2.135 52.727 54.840 0.038 0.000 0.899 1305 L CB 1.758 43.846 42.059 0.048 0.000 1.243 1305 L HN 0.385 nan 8.230 nan 0.000 0.449 1306 P HA -0.040 nan 4.420 nan 0.000 0.269 1306 P C 0.591 177.905 177.300 0.022 0.000 1.211 1306 P CA -0.129 62.984 63.100 0.022 0.000 0.781 1306 P CB 0.598 32.306 31.700 0.014 0.000 0.877 1307 K N 1.695 122.108 120.400 0.022 0.000 2.066 1307 K HA -0.322 3.976 4.320 -0.037 0.000 0.221 1307 K C 1.211 177.823 176.600 0.020 0.000 1.056 1307 K CA 2.236 58.535 56.287 0.021 0.000 0.950 1307 K CB -0.843 31.669 32.500 0.019 0.000 0.726 1307 K HN 0.404 nan 8.250 nan 0.000 0.456 1308 E N 1.043 121.253 120.200 0.018 0.000 2.333 1308 E HA -0.017 4.311 4.350 -0.037 0.000 0.198 1308 E C 0.368 176.979 176.600 0.018 0.000 1.007 1308 E CA 0.481 56.891 56.400 0.017 0.000 0.845 1308 E CB -0.041 29.669 29.700 0.015 0.000 0.766 1308 E HN 0.507 nan 8.360 nan 0.000 0.507 1309 A N 1.886 124.716 122.820 0.017 0.000 2.484 1309 A HA 0.119 4.417 4.320 -0.037 0.000 0.268 1309 A C -0.253 177.344 177.584 0.021 0.000 1.114 1309 A CA 0.028 52.075 52.037 0.016 0.000 0.780 1309 A CB 0.014 19.022 19.000 0.013 0.000 1.061 1309 A HN 0.088 nan 8.150 nan 0.000 0.505 1310 R N 2.490 123.002 120.500 0.021 0.000 2.196 1310 R HA 0.353 4.670 4.340 -0.037 0.000 0.340 1310 R C -0.096 176.219 176.300 0.025 0.000 1.043 1310 R CA -0.339 55.776 56.100 0.024 0.000 0.883 1310 R CB 0.742 31.056 30.300 0.024 0.000 1.078 1310 R HN 0.807 nan 8.270 nan 0.000 0.462 1311 L N 1.468 122.708 121.223 0.030 0.000 2.380 1311 L HA 0.235 4.553 4.340 -0.037 0.000 0.273 1311 L C 0.317 177.207 176.870 0.033 0.000 1.138 1311 L CA -0.315 54.545 54.840 0.033 0.000 0.832 1311 L CB 0.579 42.665 42.059 0.044 0.000 1.124 1311 L HN 0.688 nan 8.230 nan 0.000 0.454 1312 L N 3.608 124.850 121.223 0.031 0.000 2.446 1312 L HA 0.203 4.521 4.340 -0.037 0.000 0.219 1312 L C 0.927 177.819 176.870 0.037 0.000 1.116 1312 L CA 0.122 54.982 54.840 0.032 0.000 0.844 1312 L CB 0.529 42.606 42.059 0.030 0.000 0.970 1312 L HN 0.613 nan 8.230 nan 0.000 0.457 1313 V N 1.100 121.040 119.914 0.042 0.000 2.837 1313 V HA 0.329 4.427 4.120 -0.037 0.000 0.310 1313 V C -0.355 175.767 176.094 0.048 0.000 1.059 1313 V CA -0.627 61.702 62.300 0.048 0.000 1.004 1313 V CB 1.742 33.599 31.823 0.056 0.000 1.045 1313 V HN 0.161 nan 8.190 nan 0.000 0.465 1314 K N 2.506 122.934 120.400 0.046 0.000 2.395 1314 K HA 0.445 4.743 4.320 -0.037 0.000 0.247 1314 K C -0.891 175.734 176.600 0.042 0.000 0.973 1314 K CA -0.799 55.513 56.287 0.041 0.000 0.828 1314 K CB 1.266 33.787 32.500 0.035 0.000 1.272 1314 K HN 0.488 nan 8.250 nan 0.000 0.439 1315 D N 0.762 121.183 120.400 0.035 0.000 2.402 1315 D HA 0.168 4.786 4.640 -0.037 0.000 0.268 1315 D C 0.814 177.131 176.300 0.028 0.000 1.294 1315 D CA 1.935 55.952 54.000 0.029 0.000 0.945 1315 D CB 0.111 40.921 40.800 0.017 0.000 1.112 1315 D HN 0.845 nan 8.370 nan 0.000 0.517 1316 G N 3.094 111.914 108.800 0.034 0.000 2.901 1316 G HA2 -0.175 3.763 3.960 -0.037 0.000 0.194 1316 G HA3 -0.175 3.763 3.960 -0.037 0.000 0.194 1316 G C 0.216 175.146 174.900 0.050 0.000 1.020 1316 G CA -0.300 44.821 45.100 0.035 0.000 0.787 1316 G HN 0.526 nan 8.290 nan 0.000 0.477 1317 D N -1.411 119.025 120.400 0.061 0.000 2.497 1317 D HA 0.615 5.233 4.640 -0.037 0.000 0.243 1317 D C -0.365 176.002 176.300 0.113 0.000 1.039 1317 D CA -0.649 53.407 54.000 0.094 0.000 1.052 1317 D CB 1.229 42.086 40.800 0.095 0.000 1.344 1317 D HN 0.047 nan 8.370 nan 0.000 0.553 1318 Y N 0.312 120.626 120.300 0.022 0.000 2.511 1318 Y HA 0.324 4.852 4.550 -0.037 0.000 0.347 1318 Y C -0.168 175.751 175.900 0.032 0.000 1.257 1318 Y CA 0.468 58.582 58.100 0.024 0.000 1.469 1318 Y CB 0.508 38.977 38.460 0.016 0.000 1.353 1318 Y HN 0.083 nan 8.280 nan 0.000 0.617 1319 V N 1.927 121.680 119.914 -0.269 0.000 2.614 1319 V HA 0.345 4.443 4.120 -0.037 0.000 0.281 1319 V C -0.776 175.245 176.094 -0.122 0.000 1.031 1319 V CA -1.219 61.039 62.300 -0.069 0.000 0.899 1319 V CB 0.868 32.661 31.823 -0.050 0.000 1.037 1319 V HN 0.812 nan 8.190 nan 0.000 0.456 1320 E N 2.846 123.133 120.200 0.144 0.000 2.442 1320 E HA 0.437 4.765 4.350 -0.037 0.000 0.260 1320 E C 0.844 177.479 176.600 0.059 0.000 1.148 1320 E CA 0.244 56.748 56.400 0.174 0.000 0.976 1320 E CB 0.699 30.512 29.700 0.189 0.000 0.967 1320 E HN 1.144 nan 8.360 nan 0.000 0.454 1321 A N 1.356 124.213 122.820 0.062 0.000 2.548 1321 A HA 0.354 4.651 4.320 -0.037 0.000 0.247 1321 A C 1.205 178.802 177.584 0.021 0.000 1.067 1321 A CA 0.587 52.649 52.037 0.041 0.000 0.757 1321 A CB -0.632 18.397 19.000 0.049 0.000 0.996 1321 A HN 0.840 nan 8.150 nan 0.000 0.504 1322 G N 1.212 110.016 108.800 0.006 0.000 2.143 1322 G HA2 -0.259 3.678 3.960 -0.037 0.000 0.248 1322 G HA3 -0.259 3.678 3.960 -0.037 0.000 0.248 1322 G C 0.261 175.128 174.900 -0.056 0.000 0.991 1322 G CA 0.611 45.689 45.100 -0.037 0.000 0.689 1322 G HN 1.141 nan 8.290 nan 0.000 0.522 1323 Q N 0.339 120.127 119.800 -0.020 0.000 2.373 1323 Q HA 0.443 4.760 4.340 -0.037 0.000 0.255 1323 Q C -2.258 173.721 176.000 -0.036 0.000 0.980 1323 Q CA -1.609 54.185 55.803 -0.015 0.000 0.882 1323 Q CB 0.877 29.629 28.738 0.024 0.000 1.249 1323 Q HN 0.181 nan 8.270 nan 0.000 0.438 1324 P HA -0.027 nan 4.420 nan 0.000 0.275 1324 P C -0.565 176.727 177.300 -0.014 0.000 1.276 1324 P CA 0.080 63.156 63.100 -0.041 0.000 0.782 1324 P CB 0.757 32.441 31.700 -0.027 0.000 0.851 1325 L N 3.354 124.561 121.223 -0.026 0.000 2.189 1325 L HA 0.085 4.403 4.340 -0.037 0.000 0.199 1325 L C 1.155 178.026 176.870 0.002 0.000 1.074 1325 L CA 1.907 56.749 54.840 0.003 0.000 0.783 1325 L CB -0.826 41.239 42.059 0.009 0.000 0.955 1325 L HN 0.239 nan 8.230 nan 0.000 0.460 1326 T N -0.328 114.211 114.554 -0.025 0.000 2.885 1326 T HA 0.148 4.476 4.350 -0.037 0.000 0.356 1326 T C 0.209 174.909 174.700 0.000 0.000 1.137 1326 T CA -0.405 61.688 62.100 -0.012 0.000 1.014 1326 T CB 0.315 69.166 68.868 -0.029 0.000 1.410 1326 T HN 0.097 nan 8.240 nan 0.000 0.532 1327 R N -0.240 120.264 120.500 0.007 0.000 2.435 1327 R HA 0.538 4.856 4.340 -0.037 0.000 0.308 1327 R C -0.078 176.235 176.300 0.022 0.000 0.975 1327 R CA 0.061 56.172 56.100 0.018 0.000 0.867 1327 R CB 0.527 30.841 30.300 0.023 0.000 1.171 1327 R HN 0.970 nan 8.270 nan 0.000 0.470 1328 G N 2.269 111.088 108.800 0.031 0.000 2.384 1328 G HA2 0.235 4.173 3.960 -0.037 0.000 0.113 1328 G HA3 0.235 4.173 3.960 -0.037 0.000 0.113 1328 G C -1.509 173.431 174.900 0.066 0.000 1.224 1328 G CA -0.216 44.910 45.100 0.044 0.000 1.126 1328 G HN 0.753 nan 8.290 nan 0.000 0.461 1329 A N -0.339 122.522 122.820 0.068 0.000 2.282 1329 A HA 0.856 5.153 4.320 -0.037 0.000 0.319 1329 A C -0.310 177.315 177.584 0.068 0.000 1.121 1329 A CA -0.382 51.720 52.037 0.108 0.000 0.836 1329 A CB 0.525 19.587 19.000 0.103 0.000 1.146 1329 A HN 0.945 nan 8.150 nan 0.000 0.494 1330 I N 0.750 121.379 120.570 0.099 0.000 2.509 1330 I HA 0.240 4.388 4.170 -0.037 0.000 0.293 1330 I C -0.909 175.229 176.117 0.036 0.000 1.020 1330 I CA -0.743 60.543 61.300 -0.023 0.000 1.088 1330 I CB 2.130 39.968 38.000 -0.270 0.000 1.267 1330 I HN 0.687 nan 8.210 nan 0.000 0.430 1331 D N 7.805 128.200 120.400 -0.008 0.000 2.339 1331 D HA 0.187 4.805 4.640 -0.037 0.000 0.256 1331 D C -1.816 174.466 176.300 -0.030 0.000 1.214 1331 D CA -2.071 51.930 54.000 0.003 0.000 0.877 1331 D CB 1.591 42.403 40.800 0.019 0.000 1.111 1331 D HN 0.141 nan 8.370 nan 0.000 0.478 1332 P HA -0.221 nan 4.420 nan 0.000 0.216 1332 P C 1.098 178.355 177.300 -0.073 0.000 1.157 1332 P CA 1.318 64.379 63.100 -0.064 0.000 0.880 1332 P CB 0.030 31.664 31.700 -0.110 0.000 0.791 1333 H N -0.062 119.023 119.070 0.025 0.000 2.289 1333 H HA -0.185 4.348 4.556 -0.037 0.000 0.294 1333 H C 2.060 177.384 175.328 -0.006 0.000 1.095 1333 H CA 1.716 57.770 56.048 0.011 0.000 1.256 1333 H CB -1.002 28.763 29.762 0.006 0.000 1.359 1333 H HN 0.320 nan 8.280 nan 0.000 0.487 1334 Q N -0.084 119.776 119.800 0.100 0.000 2.014 1334 Q HA -0.157 4.161 4.340 -0.037 0.000 0.207 1334 Q C 2.595 178.593 176.000 -0.003 0.000 0.993 1334 Q CA 1.506 57.324 55.803 0.025 0.000 0.850 1334 Q CB -0.402 28.323 28.738 -0.021 0.000 0.916 1334 Q HN 0.214 nan 8.270 nan 0.000 0.417 1335 L N 0.835 122.034 121.223 -0.040 0.000 2.129 1335 L HA -0.204 4.114 4.340 -0.037 0.000 0.212 1335 L C 2.132 178.995 176.870 -0.012 0.000 1.087 1335 L CA 1.273 56.077 54.840 -0.060 0.000 0.757 1335 L CB -0.474 41.508 42.059 -0.129 0.000 0.896 1335 L HN 0.269 nan 8.230 nan 0.000 0.434 1336 L N -0.684 120.550 121.223 0.018 0.000 2.017 1336 L HA -0.177 4.141 4.340 -0.037 0.000 0.208 1336 L C 2.292 179.185 176.870 0.039 0.000 1.073 1336 L CA 1.775 56.639 54.840 0.041 0.000 0.745 1336 L CB -0.829 41.275 42.059 0.074 0.000 0.894 1336 L HN 0.207 nan 8.230 nan 0.000 0.432 1337 E N -0.088 120.136 120.200 0.040 0.000 2.153 1337 E HA -0.069 4.258 4.350 -0.037 0.000 0.194 1337 E C 2.026 178.639 176.600 0.022 0.000 0.988 1337 E CA 1.352 57.770 56.400 0.030 0.000 0.811 1337 E CB -0.375 29.341 29.700 0.027 0.000 0.746 1337 E HN 0.674 nan 8.360 nan 0.000 0.466 1338 A N -0.088 122.741 122.820 0.016 0.000 1.881 1338 A HA 0.072 4.369 4.320 -0.037 0.000 0.210 1338 A C 1.949 179.546 177.584 0.021 0.000 1.239 1338 A CA 0.950 52.998 52.037 0.018 0.000 0.629 1338 A CB -0.103 18.903 19.000 0.010 0.000 0.906 1338 A HN 0.081 nan 8.150 nan 0.000 0.460 1339 K N -1.044 119.363 120.400 0.012 0.000 2.393 1339 K HA 0.341 4.639 4.320 -0.037 0.000 0.193 1339 K C 0.496 177.110 176.600 0.023 0.000 1.026 1339 K CA 0.704 57.002 56.287 0.018 0.000 1.064 1339 K CB 0.069 32.573 32.500 0.007 0.000 0.833 1339 K HN 0.827 nan 8.250 nan 0.000 0.521 1340 G N 0.098 108.912 108.800 0.025 0.000 2.663 1340 G HA2 -0.168 3.770 3.960 -0.037 0.000 0.686 1340 G HA3 -0.168 3.770 3.960 -0.037 0.000 0.686 1340 G C -2.334 172.586 174.900 0.034 0.000 1.288 1340 G CA -0.616 44.503 45.100 0.031 0.000 0.836 1340 G HN -0.067 nan 8.290 nan 0.000 0.584 1341 P HA -0.054 nan 4.420 nan 0.000 0.215 1341 P C 1.591 178.912 177.300 0.035 0.000 1.157 1341 P CA 1.963 65.087 63.100 0.040 0.000 0.874 1341 P CB 0.026 31.752 31.700 0.042 0.000 0.790 1342 E N -0.730 119.488 120.200 0.029 0.000 2.209 1342 E HA -0.157 4.170 4.350 -0.037 0.000 0.196 1342 E C 2.029 178.651 176.600 0.038 0.000 0.993 1342 E CA 1.510 57.926 56.400 0.027 0.000 0.819 1342 E CB -0.877 28.832 29.700 0.015 0.000 0.745 1342 E HN 0.207 nan 8.360 nan 0.000 0.477 1343 A N 0.137 122.980 122.820 0.038 0.000 1.898 1343 A HA -0.082 4.216 4.320 -0.037 0.000 0.214 1343 A C 2.399 180.025 177.584 0.069 0.000 1.183 1343 A CA 1.160 53.224 52.037 0.045 0.000 0.622 1343 A CB -0.569 18.445 19.000 0.024 0.000 0.824 1343 A HN 0.154 nan 8.150 nan 0.000 0.444 1344 V N -0.275 119.675 119.914 0.059 0.000 2.233 1344 V HA -0.300 3.797 4.120 -0.037 0.000 0.247 1344 V C 2.193 178.345 176.094 0.097 0.000 1.050 1344 V CA 2.200 64.551 62.300 0.085 0.000 1.010 1344 V CB -1.467 30.388 31.823 0.053 0.000 0.637 1344 V HN 0.578 nan 8.190 nan 0.000 0.444 1345 E N 0.330 120.562 120.200 0.053 0.000 2.035 1345 E HA -0.340 3.988 4.350 -0.037 0.000 0.204 1345 E C 2.418 179.037 176.600 0.032 0.000 1.025 1345 E CA 2.085 58.501 56.400 0.027 0.000 0.835 1345 E CB -0.319 29.393 29.700 0.020 0.000 0.764 1345 E HN 0.376 nan 8.360 nan 0.000 0.457 1346 R N 0.236 120.768 120.500 0.054 0.000 2.119 1346 R HA -0.233 4.085 4.340 -0.037 0.000 0.246 1346 R C 2.177 178.531 176.300 0.090 0.000 1.146 1346 R CA 1.733 57.870 56.100 0.062 0.000 0.962 1346 R CB -0.876 29.468 30.300 0.073 0.000 0.863 1346 R HN 0.322 nan 8.270 nan 0.000 0.442 1347 Y N -0.057 120.233 120.300 -0.016 0.000 2.163 1347 Y HA -0.136 4.391 4.550 -0.037 0.000 0.288 1347 Y C 1.705 177.584 175.900 -0.035 0.000 1.136 1347 Y CA 1.615 59.705 58.100 -0.018 0.000 1.147 1347 Y CB -0.562 37.888 38.460 -0.017 0.000 0.987 1347 Y HN 0.042 nan 8.280 nan 0.000 0.509 1348 L N -0.680 120.484 121.223 -0.099 0.000 1.971 1348 L HA -0.274 4.043 4.340 -0.037 0.000 0.215 1348 L C 2.551 179.258 176.870 -0.272 0.000 1.072 1348 L CA 1.833 56.526 54.840 -0.245 0.000 0.758 1348 L CB -1.434 40.523 42.059 -0.169 0.000 0.889 1348 L HN 0.114 nan 8.230 nan 0.000 0.433 1349 V N -0.418 119.390 119.914 -0.177 0.000 2.220 1349 V HA -0.379 3.719 4.120 -0.037 0.000 0.250 1349 V C 2.456 178.471 176.094 -0.132 0.000 1.056 1349 V CA 2.236 64.451 62.300 -0.141 0.000 1.016 1349 V CB -0.703 31.078 31.823 -0.070 0.000 0.639 1349 V HN 0.517 nan 8.190 nan 0.000 0.446 1350 E N -0.386 119.746 120.200 -0.114 0.000 2.070 1350 E HA -0.321 4.006 4.350 -0.037 0.000 0.197 1350 E C 2.243 178.757 176.600 -0.143 0.000 1.004 1350 E CA 1.651 57.995 56.400 -0.093 0.000 0.805 1350 E CB -0.225 29.446 29.700 -0.048 0.000 0.744 1350 E HN 0.581 nan 8.360 nan 0.000 0.451 1351 E N 0.894 120.908 120.200 -0.310 0.000 2.110 1351 E HA -0.157 4.171 4.350 -0.037 0.000 0.193 1351 E C 1.839 178.354 176.600 -0.143 0.000 0.988 1351 E CA 0.926 57.126 56.400 -0.334 0.000 0.804 1351 E CB -0.102 29.176 29.700 -0.704 0.000 0.745 1351 E HN 0.271 nan 8.360 nan 0.000 0.458 1352 I N 0.247 120.744 120.570 -0.121 0.000 2.133 1352 I HA -0.277 3.871 4.170 -0.037 0.000 0.238 1352 I C 2.361 178.557 176.117 0.131 0.000 1.074 1352 I CA 1.024 62.343 61.300 0.032 0.000 1.342 1352 I CB -0.477 37.517 38.000 -0.010 0.000 1.053 1352 I HN 0.112 nan 8.210 nan 0.000 0.404 1353 Q N 1.099 120.924 119.800 0.042 0.000 2.242 1353 Q HA -0.248 4.069 4.340 -0.037 0.000 0.211 1353 Q C 2.113 178.186 176.000 0.121 0.000 0.992 1353 Q CA 1.406 57.250 55.803 0.068 0.000 0.889 1353 Q CB -0.419 28.321 28.738 0.003 0.000 0.913 1353 Q HN 0.462 nan 8.270 nan 0.000 0.422 1354 K N 0.057 120.502 120.400 0.074 0.000 2.001 1354 K HA -0.134 4.163 4.320 -0.037 0.000 0.214 1354 K C 2.258 178.913 176.600 0.092 0.000 1.050 1354 K CA 1.265 57.590 56.287 0.062 0.000 0.934 1354 K CB -0.854 31.662 32.500 0.026 0.000 0.718 1354 K HN 0.124 nan 8.250 nan 0.000 0.443 1355 V N 0.682 120.668 119.914 0.120 0.000 2.255 1355 V HA -0.284 3.814 4.120 -0.037 0.000 0.247 1355 V C 2.302 178.424 176.094 0.047 0.000 1.051 1355 V CA 1.896 64.238 62.300 0.071 0.000 1.018 1355 V CB -0.787 31.073 31.823 0.061 0.000 0.641 1355 V HN 0.165 nan 8.190 nan 0.000 0.445 1356 Y N 0.818 121.140 120.300 0.037 0.000 2.070 1356 Y HA -0.239 4.289 4.550 -0.038 0.000 0.280 1356 Y C 2.753 178.666 175.900 0.022 0.000 1.148 1356 Y CA 2.000 60.122 58.100 0.036 0.000 1.125 1356 Y CB -0.674 37.817 38.460 0.051 0.000 0.975 1356 Y HN 0.110 nan 8.280 nan 0.000 0.492 1357 R N -0.093 120.522 120.500 0.190 0.000 2.103 1357 R HA -0.195 4.122 4.340 -0.037 0.000 0.242 1357 R C 2.385 178.720 176.300 0.058 0.000 1.142 1357 R CA 1.405 57.563 56.100 0.098 0.000 0.960 1357 R CB -0.786 29.553 30.300 0.066 0.000 0.858 1357 R HN 0.335 nan 8.270 nan 0.000 0.439 1358 A N 0.562 123.411 122.820 0.047 0.000 2.172 1358 A HA -0.095 4.203 4.320 -0.037 0.000 0.216 1358 A C 1.189 178.776 177.584 0.005 0.000 1.154 1358 A CA 1.006 53.056 52.037 0.021 0.000 0.701 1358 A CB 0.112 19.122 19.000 0.017 0.000 0.789 1358 A HN 0.194 nan 8.150 nan 0.000 0.465 1359 Q N -1.493 118.308 119.800 0.000 0.000 2.182 1359 Q HA 0.287 4.605 4.340 -0.037 0.000 0.270 1359 Q C 1.070 177.070 176.000 0.000 0.000 0.861 1359 Q CA 0.436 56.226 55.803 -0.022 0.000 1.098 1359 Q CB 0.355 29.046 28.738 -0.079 0.000 1.188 1359 Q HN 0.796 nan 8.270 nan 0.000 0.464 1360 G N 0.353 109.165 108.800 0.020 0.000 2.377 1360 G HA2 -0.330 3.608 3.960 -0.037 0.000 0.250 1360 G HA3 -0.330 3.608 3.960 -0.037 0.000 0.250 1360 G C 0.544 175.475 174.900 0.052 0.000 1.039 1360 G CA 0.433 45.549 45.100 0.026 0.000 0.625 1360 G HN 0.319 nan 8.290 nan 0.000 0.526 1361 V N 1.783 121.749 119.914 0.087 0.000 2.673 1361 V HA 0.370 4.467 4.120 -0.037 0.000 0.303 1361 V C 0.400 176.576 176.094 0.137 0.000 1.046 1361 V CA 0.543 62.932 62.300 0.148 0.000 1.126 1361 V CB 1.392 33.402 31.823 0.310 0.000 0.934 1361 V HN 0.288 nan 8.190 nan 0.000 0.487 1362 K N 5.382 125.839 120.400 0.096 0.000 2.679 1362 K HA 0.395 4.693 4.320 -0.037 0.000 0.188 1362 K C -1.064 175.567 176.600 0.053 0.000 1.055 1362 K CA -0.424 55.896 56.287 0.055 0.000 1.006 1362 K CB 1.096 33.608 32.500 0.019 0.000 1.317 1362 K HN 0.551 nan 8.250 nan 0.000 0.584 1363 L N -1.395 119.863 121.223 0.058 0.000 2.334 1363 L HA 0.528 4.846 4.340 -0.037 0.000 0.275 1363 L C 0.447 177.382 176.870 0.109 0.000 1.036 1363 L CA -0.745 54.150 54.840 0.092 0.000 0.807 1363 L CB 0.530 42.619 42.059 0.050 0.000 1.231 1363 L HN 0.228 nan 8.230 nan 0.000 0.438 1364 H N 1.452 120.586 119.070 0.107 0.000 2.848 1364 H HA 0.069 4.603 4.556 -0.037 0.000 0.341 1364 H C 0.048 175.346 175.328 -0.051 0.000 1.060 1364 H CA 0.258 56.304 56.048 -0.003 0.000 1.444 1364 H CB 1.123 30.818 29.762 -0.113 0.000 1.446 1364 H HN 0.808 nan 8.280 nan 0.000 0.583 1365 D N 4.509 125.078 120.400 0.282 0.000 2.158 1365 D HA -0.181 4.436 4.640 -0.037 0.000 0.197 1365 D C 1.808 178.177 176.300 0.115 0.000 0.995 1365 D CA 1.439 55.536 54.000 0.162 0.000 0.846 1365 D CB 0.180 41.036 40.800 0.094 0.000 0.941 1365 D HN 0.588 nan 8.370 nan 0.000 0.456 1366 K N -0.037 120.390 120.400 0.045 0.000 2.049 1366 K HA -0.248 4.050 4.320 -0.037 0.000 0.219 1366 K C 2.089 178.665 176.600 -0.040 0.000 1.056 1366 K CA 1.588 57.772 56.287 -0.172 0.000 0.946 1366 K CB -0.469 31.677 32.500 -0.591 0.000 0.723 1366 K HN 0.369 nan 8.250 nan 0.000 0.453 1367 H N 0.562 119.692 119.070 0.100 0.000 2.265 1367 H HA -0.138 4.396 4.556 -0.037 0.000 0.295 1367 H C 2.358 177.744 175.328 0.098 0.000 1.084 1367 H CA 1.713 57.825 56.048 0.107 0.000 1.261 1367 H CB -0.606 29.206 29.762 0.083 0.000 1.360 1367 H HN 0.201 nan 8.280 nan 0.000 0.487 1368 I N 1.046 121.732 120.570 0.193 0.000 2.286 1368 I HA -0.239 3.909 4.170 -0.037 0.000 0.248 1368 I C 2.368 178.524 176.117 0.065 0.000 1.115 1368 I CA 1.150 62.526 61.300 0.126 0.000 1.392 1368 I CB -0.252 37.762 38.000 0.024 0.000 1.065 1368 I HN 0.314 nan 8.210 nan 0.000 0.418 1369 E N 0.789 121.020 120.200 0.052 0.000 2.070 1369 E HA -0.245 4.083 4.350 -0.037 0.000 0.197 1369 E C 2.276 178.907 176.600 0.051 0.000 1.004 1369 E CA 1.295 57.715 56.400 0.033 0.000 0.805 1369 E CB -0.080 29.640 29.700 0.033 0.000 0.744 1369 E HN 0.369 nan 8.360 nan 0.000 0.451 1370 I N 1.024 121.644 120.570 0.084 0.000 2.068 1370 I HA -0.284 3.864 4.170 -0.037 0.000 0.238 1370 I C 2.525 178.693 176.117 0.086 0.000 1.046 1370 I CA 1.383 62.731 61.300 0.080 0.000 1.306 1370 I CB -1.164 36.897 38.000 0.102 0.000 1.023 1370 I HN 0.039 nan 8.210 nan 0.000 0.399 1371 V N 0.333 120.327 119.914 0.133 0.000 2.407 1371 V HA -0.227 3.870 4.120 -0.037 0.000 0.248 1371 V C 2.656 178.815 176.094 0.109 0.000 1.055 1371 V CA 1.158 63.559 62.300 0.169 0.000 1.049 1371 V CB -0.699 31.323 31.823 0.332 0.000 0.662 1371 V HN 0.201 nan 8.190 nan 0.000 0.455 1372 V N 0.215 120.152 119.914 0.040 0.000 2.231 1372 V HA -0.360 3.738 4.120 -0.037 0.000 0.248 1372 V C 2.658 178.763 176.094 0.018 0.000 1.054 1372 V CA 2.705 64.994 62.300 -0.019 0.000 1.015 1372 V CB -0.766 31.025 31.823 -0.054 0.000 0.638 1372 V HN 0.554 nan 8.190 nan 0.000 0.444 1373 R N -0.209 120.304 120.500 0.022 0.000 2.133 1373 R HA -0.267 4.051 4.340 -0.037 0.000 0.245 1373 R C 2.280 178.593 176.300 0.021 0.000 1.137 1373 R CA 2.242 58.351 56.100 0.014 0.000 0.947 1373 R CB -0.357 29.949 30.300 0.009 0.000 0.865 1373 R HN 0.517 nan 8.270 nan 0.000 0.437 1374 Q N -0.178 119.649 119.800 0.045 0.000 2.364 1374 Q HA -0.140 4.178 4.340 -0.037 0.000 0.209 1374 Q C 1.943 178.023 176.000 0.132 0.000 0.977 1374 Q CA 1.028 56.872 55.803 0.069 0.000 0.885 1374 Q CB -0.120 28.677 28.738 0.098 0.000 0.941 1374 Q HN 0.524 nan 8.270 nan 0.000 0.464 1375 M N -1.040 118.629 119.600 0.115 0.000 2.476 1375 M HA 0.017 4.475 4.480 -0.037 0.000 0.262 1375 M C 0.993 177.384 176.300 0.150 0.000 1.079 1375 M CA 0.942 56.324 55.300 0.136 0.000 1.104 1375 M CB 0.194 32.843 32.600 0.082 0.000 1.409 1375 M HN 0.147 nan 8.290 nan 0.000 0.467 1376 M N -0.328 119.333 119.600 0.103 0.000 2.705 1376 M HA 0.102 4.560 4.480 -0.037 0.000 0.387 1376 M C 0.795 177.102 176.300 0.011 0.000 1.204 1376 M CA -0.010 55.339 55.300 0.083 0.000 0.905 1376 M CB 0.363 32.991 32.600 0.047 0.000 1.394 1376 M HN 0.058 nan 8.290 nan 0.000 0.515 1377 K N -0.431 119.939 120.400 -0.050 0.000 2.458 1377 K HA 0.078 4.376 4.320 -0.037 0.000 0.194 1377 K C -0.824 175.518 176.600 -0.430 0.000 1.024 1377 K CA 0.381 56.503 56.287 -0.274 0.000 1.108 1377 K CB -0.027 32.251 32.500 -0.370 0.000 0.846 1377 K HN 0.215 nan 8.250 nan 0.000 0.518 1378 Y N 1.320 121.613 120.300 -0.012 0.000 2.331 1378 Y HA 0.311 4.839 4.550 -0.037 0.000 0.334 1378 Y C -0.128 175.743 175.900 -0.049 0.000 0.960 1378 Y CA -1.326 56.768 58.100 -0.010 0.000 1.130 1378 Y CB 1.862 40.333 38.460 0.018 0.000 1.164 1378 Y HN -0.104 nan 8.280 nan 0.000 0.458 1379 V N -0.407 119.519 119.914 0.021 0.000 2.919 1379 V HA 0.626 4.724 4.120 -0.037 0.000 0.316 1379 V C -0.451 175.601 176.094 -0.069 0.000 1.077 1379 V CA -1.119 61.134 62.300 -0.079 0.000 0.977 1379 V CB 2.101 33.732 31.823 -0.320 0.000 1.039 1379 V HN 0.773 nan 8.190 nan 0.000 0.441 1380 E N 0.768 120.936 120.200 -0.054 0.000 2.232 1380 E HA 0.697 5.025 4.350 -0.037 0.000 0.265 1380 E C -1.367 175.151 176.600 -0.137 0.000 1.001 1380 E CA -0.780 55.583 56.400 -0.063 0.000 0.870 1380 E CB 2.137 31.824 29.700 -0.022 0.000 1.175 1380 E HN 0.704 nan 8.360 nan 0.000 0.407 1381 V N 1.397 121.219 119.914 -0.153 0.000 2.667 1381 V HA 0.322 4.419 4.120 -0.037 0.000 0.308 1381 V C 0.720 176.753 176.094 -0.102 0.000 1.048 1381 V CA -0.161 62.013 62.300 -0.210 0.000 0.928 1381 V CB 1.375 33.046 31.823 -0.253 0.000 1.004 1381 V HN 1.025 nan 8.190 nan 0.000 0.444 1382 T N -2.524 111.970 114.554 -0.100 0.000 3.105 1382 T HA 0.177 4.505 4.350 -0.037 0.000 0.257 1382 T C 0.262 174.928 174.700 -0.056 0.000 0.949 1382 T CA 0.145 62.205 62.100 -0.066 0.000 0.959 1382 T CB 0.405 69.233 68.868 -0.066 0.000 1.205 1382 T HN 0.527 nan 8.240 nan 0.000 0.496 1383 D N 3.566 123.925 120.400 -0.069 0.000 2.472 1383 D HA 0.430 5.047 4.640 -0.037 0.000 0.234 1383 D C -2.684 173.615 176.300 -0.001 0.000 1.088 1383 D CA -1.862 52.113 54.000 -0.042 0.000 0.882 1383 D CB 1.823 42.586 40.800 -0.061 0.000 1.037 1383 D HN 0.143 nan 8.370 nan 0.000 0.520 1384 P HA 0.235 nan 4.420 nan 0.000 0.274 1384 P C 0.457 177.830 177.300 0.121 0.000 1.264 1384 P CA 0.024 63.185 63.100 0.103 0.000 0.795 1384 P CB 1.053 32.803 31.700 0.082 0.000 1.064 1385 G N -1.511 107.387 108.800 0.163 0.000 2.920 1385 G HA2 -0.022 3.915 3.960 -0.037 0.000 0.215 1385 G HA3 -0.022 3.915 3.960 -0.037 0.000 0.215 1385 G C 0.658 175.619 174.900 0.102 0.000 1.523 1385 G CA 0.395 45.575 45.100 0.133 0.000 0.667 1385 G HN 0.525 nan 8.290 nan 0.000 1.029 1386 D N 0.063 120.534 120.400 0.118 0.000 3.084 1386 D HA 0.217 4.835 4.640 -0.037 0.000 0.294 1386 D C 0.210 176.559 176.300 0.080 0.000 1.165 1386 D CA 0.482 54.525 54.000 0.073 0.000 1.008 1386 D CB 0.897 41.718 40.800 0.035 0.000 1.266 1386 D HN 0.127 nan 8.370 nan 0.000 0.449 1387 S N 1.019 116.790 115.700 0.119 0.000 2.475 1387 S HA 0.508 4.956 4.470 -0.037 0.000 0.298 1387 S C -0.314 174.378 174.600 0.154 0.000 1.119 1387 S CA -0.622 57.650 58.200 0.120 0.000 1.085 1387 S CB 2.102 65.372 63.200 0.117 0.000 1.028 1387 S HN 0.096 nan 8.310 nan 0.000 0.489 1388 R N 1.536 122.097 120.500 0.101 0.000 2.829 1388 R HA -0.041 4.277 4.340 -0.037 0.000 0.267 1388 R C 1.645 177.998 176.300 0.088 0.000 0.985 1388 R CA 0.167 56.313 56.100 0.077 0.000 1.128 1388 R CB -0.410 29.918 30.300 0.048 0.000 1.010 1388 R HN 0.701 nan 8.270 nan 0.000 0.449 1389 L N 0.281 121.532 121.223 0.047 0.000 1.871 1389 L HA -0.059 4.259 4.340 -0.037 0.000 0.229 1389 L C 0.803 177.683 176.870 0.017 0.000 1.092 1389 L CA 0.769 55.621 54.840 0.020 0.000 0.815 1389 L CB -1.146 40.910 42.059 -0.005 0.000 0.891 1389 L HN 0.604 nan 8.230 nan 0.000 0.428 1390 L N -0.357 120.869 121.223 0.005 0.000 3.272 1390 L HA 0.020 4.338 4.340 -0.037 0.000 0.312 1390 L C 0.806 177.691 176.870 0.026 0.000 1.180 1390 L CA 0.224 55.066 54.840 0.003 0.000 1.192 1390 L CB -0.586 41.471 42.059 -0.004 0.000 1.558 1390 L HN 0.485 nan 8.230 nan 0.000 0.409 1391 E N 2.674 122.900 120.200 0.042 0.000 2.592 1391 E HA 0.261 4.588 4.350 -0.037 0.000 0.184 1391 E C 0.946 177.596 176.600 0.083 0.000 1.056 1391 E CA 0.778 57.231 56.400 0.088 0.000 1.151 1391 E CB 0.258 30.071 29.700 0.188 0.000 1.435 1391 E HN 0.782 nan 8.360 nan 0.000 0.496 1392 G N 2.974 111.828 108.800 0.090 0.000 2.940 1392 G HA2 -0.186 3.751 3.960 -0.037 0.000 0.273 1392 G HA3 -0.186 3.751 3.960 -0.037 0.000 0.273 1392 G C -0.346 174.684 174.900 0.217 0.000 1.030 1392 G CA 0.342 45.502 45.100 0.101 0.000 1.066 1392 G HN 0.068 nan 8.290 nan 0.000 0.466 1393 Q N -0.752 119.247 119.800 0.332 0.000 2.683 1393 Q HA 0.612 4.929 4.340 -0.037 0.000 0.302 1393 Q C 0.448 176.683 176.000 0.391 0.000 1.042 1393 Q CA -1.189 54.888 55.803 0.458 0.000 0.773 1393 Q CB 2.341 31.402 28.738 0.537 0.000 1.508 1393 Q HN 0.589 nan 8.270 nan 0.000 0.459 1394 V N 2.975 123.031 119.914 0.237 0.000 2.555 1394 V HA -0.170 3.928 4.120 -0.037 0.000 0.299 1394 V C 1.748 177.841 176.094 -0.001 0.000 1.012 1394 V CA 0.564 62.837 62.300 -0.045 0.000 1.180 1394 V CB -0.508 31.284 31.823 -0.052 0.000 0.887 1394 V HN 0.737 nan 8.190 nan 0.000 0.476 1395 L N 3.796 124.917 121.223 -0.170 0.000 1.963 1395 L HA -0.160 4.157 4.340 -0.037 0.000 0.220 1395 L C 2.403 179.102 176.870 -0.285 0.000 1.076 1395 L CA 2.257 56.916 54.840 -0.301 0.000 0.772 1395 L CB -0.541 41.305 42.059 -0.355 0.000 0.892 1395 L HN 0.833 nan 8.230 nan 0.000 0.435 1396 E N 0.018 120.044 120.200 -0.289 0.000 2.204 1396 E HA -0.248 4.080 4.350 -0.037 0.000 0.195 1396 E C 2.104 178.564 176.600 -0.233 0.000 0.990 1396 E CA 0.912 57.156 56.400 -0.260 0.000 0.821 1396 E CB 0.049 29.565 29.700 -0.306 0.000 0.750 1396 E HN 0.487 nan 8.360 nan 0.000 0.477 1397 K N -0.947 119.295 120.400 -0.264 0.000 2.281 1397 K HA -0.167 4.130 4.320 -0.037 0.000 0.203 1397 K C 1.628 178.010 176.600 -0.363 0.000 1.046 1397 K CA 1.181 57.290 56.287 -0.297 0.000 0.938 1397 K CB -0.089 32.234 32.500 -0.294 0.000 0.737 1397 K HN 0.184 nan 8.250 nan 0.000 0.458 1398 W N 0.686 121.865 121.300 -0.203 0.000 2.640 1398 W HA -0.020 4.617 4.660 -0.037 0.000 0.268 1398 W C 1.483 177.987 176.519 -0.025 0.000 1.263 1398 W CA 0.052 57.322 57.345 -0.124 0.000 1.344 1398 W CB 0.252 29.535 29.460 -0.296 0.000 1.093 1398 W HN 0.009 nan 8.180 nan 0.000 0.603 1399 D N 0.097 120.533 120.400 0.061 0.000 2.263 1399 D HA -0.135 4.483 4.640 -0.037 0.000 0.208 1399 D C 2.171 178.525 176.300 0.091 0.000 0.971 1399 D CA 1.150 55.223 54.000 0.121 0.000 0.867 1399 D CB -0.299 40.506 40.800 0.008 0.000 0.929 1399 D HN 0.048 nan 8.370 nan 0.000 0.492 1400 V N 0.748 120.664 119.914 0.004 0.000 2.255 1400 V HA -0.194 3.904 4.120 -0.037 0.000 0.243 1400 V C 2.466 178.560 176.094 0.001 0.000 1.038 1400 V CA 1.533 63.816 62.300 -0.029 0.000 1.008 1400 V CB -0.389 31.373 31.823 -0.101 0.000 0.645 1400 V HN 0.034 nan 8.190 nan 0.000 0.449 1401 E N 0.719 120.910 120.200 -0.015 0.000 2.031 1401 E HA -0.153 4.175 4.350 -0.037 0.000 0.193 1401 E C 2.172 178.838 176.600 0.109 0.000 0.994 1401 E CA 1.678 58.085 56.400 0.011 0.000 0.800 1401 E CB -0.670 28.991 29.700 -0.065 0.000 0.752 1401 E HN 0.458 nan 8.360 nan 0.000 0.447 1402 A N 0.664 123.620 122.820 0.226 0.000 1.917 1402 A HA -0.213 4.085 4.320 -0.037 0.000 0.219 1402 A C 2.365 180.030 177.584 0.135 0.000 1.182 1402 A CA 1.625 53.799 52.037 0.229 0.000 0.633 1402 A CB -0.903 18.317 19.000 0.368 0.000 0.819 1402 A HN 0.360 nan 8.150 nan 0.000 0.448 1403 L N -0.774 120.521 121.223 0.120 0.000 1.943 1403 L HA -0.249 4.069 4.340 -0.037 0.000 0.215 1403 L C 2.399 179.298 176.870 0.048 0.000 1.074 1403 L CA 1.993 56.877 54.840 0.074 0.000 0.759 1403 L CB -0.504 41.589 42.059 0.056 0.000 0.888 1403 L HN 0.381 nan 8.230 nan 0.000 0.433 1404 N N -0.636 118.086 118.700 0.037 0.000 2.244 1404 N HA -0.159 4.558 4.740 -0.037 0.000 0.183 1404 N C 1.640 177.167 175.510 0.027 0.000 1.016 1404 N CA 0.733 53.797 53.050 0.023 0.000 0.866 1404 N CB -0.084 38.409 38.487 0.010 0.000 0.980 1404 N HN 0.230 nan 8.380 nan 0.000 0.430 1405 E N -0.158 120.067 120.200 0.041 0.000 2.338 1405 E HA -0.045 4.283 4.350 -0.037 0.000 0.197 1405 E C 1.276 177.898 176.600 0.036 0.000 1.007 1405 E CA 0.469 56.894 56.400 0.042 0.000 0.849 1405 E CB 0.274 30.012 29.700 0.063 0.000 0.774 1405 E HN 0.189 nan 8.360 nan 0.000 0.506 1406 R N -0.399 120.122 120.500 0.035 0.000 2.419 1406 R HA 0.163 4.481 4.340 -0.037 0.000 0.235 1406 R C 1.502 177.813 176.300 0.019 0.000 0.899 1406 R CA 0.064 56.179 56.100 0.025 0.000 1.048 1406 R CB 0.403 30.718 30.300 0.024 0.000 1.182 1406 R HN 0.110 nan 8.270 nan 0.000 0.544 1407 L N -0.808 120.428 121.223 0.021 0.000 2.435 1407 L HA 0.281 4.599 4.340 -0.037 0.000 0.195 1407 L C 1.941 178.818 176.870 0.012 0.000 1.072 1407 L CA 0.861 55.710 54.840 0.016 0.000 0.833 1407 L CB -0.082 41.988 42.059 0.017 0.000 1.081 1407 L HN -0.076 nan 8.230 nan 0.000 0.485 1408 I N -0.711 119.866 120.570 0.012 0.000 2.522 1408 I HA 0.087 4.235 4.170 -0.037 0.000 0.240 1408 I C 1.034 177.156 176.117 0.009 0.000 1.078 1408 I CA 0.299 61.604 61.300 0.009 0.000 1.422 1408 I CB -0.220 37.784 38.000 0.007 0.000 1.188 1408 I HN 0.040 nan 8.210 nan 0.000 0.442 1409 A N 2.320 125.146 122.820 0.011 0.000 2.302 1409 A HA 0.259 4.556 4.320 -0.037 0.000 0.295 1409 A C 0.269 177.862 177.584 0.014 0.000 1.235 1409 A CA -0.419 51.625 52.037 0.012 0.000 0.876 1409 A CB -0.270 18.737 19.000 0.012 0.000 1.133 1409 A HN 0.482 nan 8.150 nan 0.000 0.533 1410 E N 2.330 122.537 120.200 0.012 0.000 2.816 1410 E HA 0.492 4.819 4.350 -0.037 0.000 0.260 1410 E C 0.591 177.199 176.600 0.014 0.000 1.414 1410 E CA -0.274 56.133 56.400 0.012 0.000 1.074 1410 E CB 0.201 29.906 29.700 0.009 0.000 1.123 1410 E HN 1.742 nan 8.360 nan 0.000 0.664 1411 G N 1.155 109.962 108.800 0.012 0.000 2.545 1411 G HA2 -0.275 3.663 3.960 -0.037 0.000 0.279 1411 G HA3 -0.275 3.663 3.960 -0.037 0.000 0.279 1411 G C -0.658 174.251 174.900 0.015 0.000 1.131 1411 G CA 0.065 45.172 45.100 0.013 0.000 1.100 1411 G HN 0.680 nan 8.290 nan 0.000 0.525 1412 K N 0.105 120.512 120.400 0.012 0.000 2.365 1412 K HA 0.261 4.559 4.320 -0.037 0.000 0.268 1412 K C 0.761 177.369 176.600 0.014 0.000 1.173 1412 K CA 0.934 57.228 56.287 0.012 0.000 1.204 1412 K CB -0.225 32.277 32.500 0.003 0.000 0.832 1412 K HN 0.707 nan 8.250 nan 0.000 0.481 1413 T N 1.158 115.728 114.554 0.027 0.000 3.355 1413 T HA 0.294 4.622 4.350 -0.037 0.000 0.376 1413 T C -2.427 172.297 174.700 0.039 0.000 1.683 1413 T CA -2.331 59.790 62.100 0.034 0.000 1.269 1413 T CB 0.149 69.048 68.868 0.052 0.000 1.158 1413 T HN 0.333 nan 8.240 nan 0.000 0.703 1414 P HA 0.109 nan 4.420 nan 0.000 0.258 1414 P C 0.291 177.577 177.300 -0.024 0.000 1.187 1414 P CA -0.246 62.836 63.100 -0.030 0.000 0.767 1414 P CB 0.199 31.858 31.700 -0.068 0.000 0.770 1415 V N 1.182 121.102 119.914 0.010 0.000 2.267 1415 V HA 0.549 4.647 4.120 -0.037 0.000 0.254 1415 V C 0.577 176.573 176.094 -0.162 0.000 1.144 1415 V CA -1.249 61.081 62.300 0.051 0.000 0.992 1415 V CB -0.205 31.835 31.823 0.363 0.000 1.199 1415 V HN 0.545 nan 8.190 nan 0.000 0.493 1416 A N 6.798 129.494 122.820 -0.206 0.000 2.444 1416 A HA 0.565 4.863 4.320 -0.037 0.000 0.273 1416 A C -0.101 177.341 177.584 -0.238 0.000 1.136 1416 A CA -0.351 51.498 52.037 -0.315 0.000 0.799 1416 A CB -0.302 18.572 19.000 -0.210 0.000 1.081 1416 A HN 1.221 nan 8.150 nan 0.000 0.509 1417 W N 2.167 123.334 121.300 -0.222 0.000 2.671 1417 W HA 0.784 5.422 4.660 -0.037 0.000 0.360 1417 W C -0.706 175.709 176.519 -0.174 0.000 1.128 1417 W CA -1.376 55.796 57.345 -0.289 0.000 1.184 1417 W CB 0.970 30.185 29.460 -0.409 0.000 1.415 1417 W HN 0.444 nan 8.180 nan 0.000 0.604 1418 K N 1.428 121.956 120.400 0.213 0.000 2.397 1418 K HA 0.362 4.660 4.320 -0.037 0.000 0.253 1418 K C -2.676 174.005 176.600 0.135 0.000 0.932 1418 K CA -1.780 54.590 56.287 0.139 0.000 0.795 1418 K CB 2.153 34.678 32.500 0.042 0.000 1.159 1418 K HN 0.046 nan 8.250 nan 0.000 0.424 1419 P HA 0.012 nan 4.420 nan 0.000 0.267 1419 P C -1.144 176.197 177.300 0.067 0.000 1.205 1419 P CA -0.248 62.905 63.100 0.089 0.000 0.765 1419 P CB 0.444 32.200 31.700 0.092 0.000 0.828 1420 L N 4.967 126.227 121.223 0.062 0.000 2.362 1420 L HA 0.654 4.972 4.340 -0.037 0.000 0.271 1420 L C -1.538 175.398 176.870 0.110 0.000 1.002 1420 L CA -0.918 53.971 54.840 0.080 0.000 0.818 1420 L CB 1.866 43.969 42.059 0.074 0.000 1.298 1420 L HN 0.116 nan 8.230 nan 0.000 0.420 1421 L N 6.138 127.447 121.223 0.143 0.000 2.325 1421 L HA 0.762 5.079 4.340 -0.037 0.000 0.281 1421 L C -0.904 176.088 176.870 0.203 0.000 1.004 1421 L CA -0.327 54.610 54.840 0.162 0.000 0.823 1421 L CB 1.312 43.469 42.059 0.163 0.000 1.236 1421 L HN 0.764 nan 8.230 nan 0.000 0.415 1422 M N 3.196 122.888 119.600 0.155 0.000 2.446 1422 M HA 0.686 5.144 4.480 -0.037 0.000 0.294 1422 M C 0.130 176.495 176.300 0.107 0.000 1.158 1422 M CA -0.729 54.649 55.300 0.130 0.000 0.899 1422 M CB 1.519 34.149 32.600 0.050 0.000 1.687 1422 M HN 0.624 nan 8.290 nan 0.000 0.455 1423 G N 1.552 110.411 108.800 0.100 0.000 2.484 1423 G HA2 0.334 4.271 3.960 -0.037 0.000 0.235 1423 G HA3 0.334 4.271 3.960 -0.037 0.000 0.235 1423 G C 0.776 175.736 174.900 0.100 0.000 1.282 1423 G CA -0.604 44.556 45.100 0.101 0.000 0.857 1423 G HN 0.697 nan 8.290 nan 0.000 0.571 1424 V N 2.213 122.217 119.914 0.150 0.000 2.277 1424 V HA -0.277 3.820 4.120 -0.037 0.000 0.253 1424 V C 3.138 179.282 176.094 0.083 0.000 1.067 1424 V CA 2.744 65.141 62.300 0.161 0.000 1.047 1424 V CB -1.109 30.863 31.823 0.248 0.000 0.649 1424 V HN 0.870 nan 8.190 nan 0.000 0.447 1425 T N -0.547 114.036 114.554 0.048 0.000 2.580 1425 T HA -0.311 4.016 4.350 -0.037 0.000 0.265 1425 T C 1.936 176.567 174.700 -0.115 0.000 1.063 1425 T CA 2.129 64.209 62.100 -0.033 0.000 1.170 1425 T CB -0.289 68.561 68.868 -0.029 0.000 0.863 1425 T HN 0.500 nan 8.240 nan 0.000 0.418 1426 K N 0.632 120.981 120.400 -0.085 0.000 2.032 1426 K HA -0.110 4.187 4.320 -0.037 0.000 0.209 1426 K C 2.712 179.208 176.600 -0.174 0.000 1.048 1426 K CA 1.475 57.678 56.287 -0.142 0.000 0.927 1426 K CB -0.408 32.037 32.500 -0.092 0.000 0.712 1426 K HN 0.120 nan 8.250 nan 0.000 0.441 1427 S N -0.224 115.431 115.700 -0.075 0.000 2.399 1427 S HA -0.272 4.176 4.470 -0.037 0.000 0.235 1427 S C 1.799 176.411 174.600 0.021 0.000 1.063 1427 S CA 1.715 59.918 58.200 0.005 0.000 1.070 1427 S CB -0.320 62.978 63.200 0.163 0.000 0.904 1427 S HN 0.571 nan 8.310 nan 0.000 0.456 1428 A N 0.070 122.885 122.820 -0.009 0.000 1.911 1428 A HA 0.222 4.520 4.320 -0.037 0.000 0.212 1428 A C 1.828 179.294 177.584 -0.198 0.000 1.189 1428 A CA 0.668 52.716 52.037 0.018 0.000 0.639 1428 A CB -0.599 18.478 19.000 0.128 0.000 0.839 1428 A HN 0.439 nan 8.150 nan 0.000 0.449 1429 L N 1.037 121.986 121.223 -0.456 0.000 2.661 1429 L HA -0.072 4.246 4.340 -0.037 0.000 0.236 1429 L C 0.586 177.248 176.870 -0.347 0.000 1.176 1429 L CA 1.659 56.127 54.840 -0.619 0.000 0.836 1429 L CB -0.346 41.395 42.059 -0.529 0.000 0.960 1429 L HN 0.437 nan 8.230 nan 0.000 0.455 1430 S N -2.713 112.834 115.700 -0.254 0.000 2.564 1430 S HA 0.427 4.875 4.470 -0.037 0.000 0.141 1430 S C -0.004 174.534 174.600 -0.104 0.000 1.474 1430 S CA -0.272 57.802 58.200 -0.210 0.000 1.236 1430 S CB -0.017 63.000 63.200 -0.305 0.000 1.481 1430 S HN 0.271 nan 8.310 nan 0.000 0.397 1431 T N -0.395 114.186 114.554 0.045 0.000 2.841 1431 T HA 0.609 4.937 4.350 -0.037 0.000 0.276 1431 T C 1.186 175.968 174.700 0.138 0.000 1.003 1431 T CA -0.713 61.498 62.100 0.185 0.000 0.995 1431 T CB 0.864 69.835 68.868 0.171 0.000 1.260 1431 T HN 0.229 nan 8.240 nan 0.000 0.581 1432 K N 1.461 121.931 120.400 0.116 0.000 1.977 1432 K HA -0.045 4.252 4.320 -0.037 0.000 0.218 1432 K C 1.227 177.856 176.600 0.049 0.000 1.051 1432 K CA 1.701 58.028 56.287 0.066 0.000 0.953 1432 K CB -1.534 30.939 32.500 -0.045 0.000 0.727 1432 K HN 0.722 nan 8.250 nan 0.000 0.445 1433 S N 1.216 116.901 115.700 -0.025 0.000 2.465 1433 S HA 0.128 4.576 4.470 -0.037 0.000 0.280 1433 S C 0.825 175.398 174.600 -0.046 0.000 1.232 1433 S CA -0.466 57.678 58.200 -0.094 0.000 1.066 1433 S CB -0.156 62.932 63.200 -0.186 0.000 0.929 1433 S HN 0.551 nan 8.310 nan 0.000 0.494 1434 W N 4.772 126.094 121.300 0.037 0.000 2.350 1434 W HA -0.097 4.541 4.660 -0.037 0.000 0.289 1434 W C 1.000 177.551 176.519 0.053 0.000 1.215 1434 W CA 0.453 57.822 57.345 0.039 0.000 1.236 1434 W CB -0.823 28.662 29.460 0.042 0.000 1.130 1434 W HN 0.533 nan 8.180 nan 0.000 0.541 1435 L N 1.588 122.318 121.223 -0.823 0.000 1.978 1435 L HA -0.317 4.000 4.340 -0.037 0.000 0.218 1435 L C 2.881 179.656 176.870 -0.159 0.000 1.075 1435 L CA 2.805 57.305 54.840 -0.568 0.000 0.767 1435 L CB -1.566 40.127 42.059 -0.610 0.000 0.890 1435 L HN 0.132 nan 8.230 nan 0.000 0.434 1436 S N -1.078 114.560 115.700 -0.103 0.000 2.374 1436 S HA -0.236 4.212 4.470 -0.037 0.000 0.227 1436 S C 1.996 176.706 174.600 0.183 0.000 1.037 1436 S CA 1.266 59.476 58.200 0.016 0.000 1.024 1436 S CB -0.517 62.757 63.200 0.123 0.000 0.861 1436 S HN 0.580 nan 8.310 nan 0.000 0.456 1437 A N 0.771 123.731 122.820 0.233 0.000 2.066 1437 A HA 0.325 4.623 4.320 -0.037 0.000 0.218 1437 A C 2.101 179.869 177.584 0.306 0.000 1.157 1437 A CA 1.258 53.500 52.037 0.342 0.000 0.670 1437 A CB -0.593 18.502 19.000 0.159 0.000 0.804 1437 A HN 0.494 nan 8.150 nan 0.000 0.453 1438 A N -0.909 122.033 122.820 0.202 0.000 2.206 1438 A HA 0.160 4.458 4.320 -0.037 0.000 0.211 1438 A C 2.004 179.571 177.584 -0.028 0.000 1.158 1438 A CA 1.225 53.355 52.037 0.155 0.000 0.761 1438 A CB -0.400 18.771 19.000 0.285 0.000 0.801 1438 A HN 0.343 nan 8.150 nan 0.000 0.473 1439 S N -0.731 114.883 115.700 -0.142 0.000 2.558 1439 S HA 0.275 4.723 4.470 -0.037 0.000 0.217 1439 S C 0.088 174.153 174.600 -0.892 0.000 0.975 1439 S CA 0.004 57.929 58.200 -0.458 0.000 0.912 1439 S CB -0.258 62.672 63.200 -0.449 0.000 0.776 1439 S HN 0.488 nan 8.310 nan 0.000 0.526 1440 F N 1.680 121.407 119.950 -0.373 0.000 2.410 1440 F HA 0.289 4.794 4.527 -0.037 0.000 0.324 1440 F C 1.371 176.936 175.800 -0.392 0.000 1.093 1440 F CA -1.144 56.628 58.000 -0.380 0.000 1.028 1440 F CB 0.467 39.362 39.000 -0.175 0.000 1.309 1440 F HN -0.034 nan 8.300 nan 0.000 0.499 1441 Q N 0.357 120.128 119.800 -0.048 0.000 2.292 1441 Q HA 0.129 4.446 4.340 -0.037 0.000 0.247 1441 Q C -0.529 175.473 176.000 0.004 0.000 0.911 1441 Q CA 0.180 55.956 55.803 -0.045 0.000 0.948 1441 Q CB -0.794 27.961 28.738 0.029 0.000 1.093 1441 Q HN 0.619 nan 8.270 nan 0.000 0.428 1442 N N -0.039 118.669 118.700 0.013 0.000 2.160 1442 N HA -0.047 4.671 4.740 -0.037 0.000 0.226 1442 N C 1.104 176.607 175.510 -0.012 0.000 1.256 1442 N CA 0.684 53.737 53.050 0.004 0.000 0.890 1442 N CB 0.256 38.738 38.487 -0.007 0.000 1.116 1442 N HN 0.339 nan 8.380 nan 0.000 0.517 1443 T N 0.003 114.555 114.554 -0.003 0.000 2.602 1443 T HA -0.349 3.979 4.350 -0.037 0.000 0.264 1443 T C 1.871 176.516 174.700 -0.092 0.000 1.085 1443 T CA 2.635 64.747 62.100 0.021 0.000 1.164 1443 T CB -1.440 67.472 68.868 0.074 0.000 0.860 1443 T HN 0.151 nan 8.240 nan 0.000 0.442 1444 T N 0.796 115.228 114.554 -0.204 0.000 2.531 1444 T HA -0.306 4.022 4.350 -0.037 0.000 0.261 1444 T C 1.620 175.910 174.700 -0.683 0.000 1.141 1444 T CA 2.199 63.886 62.100 -0.688 0.000 1.176 1444 T CB -1.023 67.574 68.868 -0.451 0.000 0.863 1444 T HN 0.791 nan 8.240 nan 0.000 0.424 1445 H N 0.083 118.904 119.070 -0.415 0.000 2.293 1445 H HA -0.074 4.460 4.556 -0.037 0.000 0.300 1445 H C 2.389 177.600 175.328 -0.196 0.000 1.082 1445 H CA 1.283 57.162 56.048 -0.281 0.000 1.308 1445 H CB -0.206 29.449 29.762 -0.180 0.000 1.375 1445 H HN 0.108 nan 8.280 nan 0.000 0.495 1446 V N 0.826 120.687 119.914 -0.088 0.000 2.277 1446 V HA -0.336 3.762 4.120 -0.037 0.000 0.253 1446 V C 2.518 178.605 176.094 -0.012 0.000 1.067 1446 V CA 1.948 64.213 62.300 -0.059 0.000 1.047 1446 V CB -0.564 31.292 31.823 0.055 0.000 0.649 1446 V HN 0.310 nan 8.190 nan 0.000 0.447 1447 L N -0.924 120.282 121.223 -0.029 0.000 2.049 1447 L HA -0.069 4.249 4.340 -0.037 0.000 0.203 1447 L C 2.561 179.463 176.870 0.053 0.000 1.074 1447 L CA 2.229 57.065 54.840 -0.008 0.000 0.749 1447 L CB -1.363 40.804 42.059 0.181 0.000 0.907 1447 L HN 0.277 nan 8.230 nan 0.000 0.439 1448 T N -0.594 113.996 114.554 0.060 0.000 2.564 1448 T HA -0.358 3.970 4.350 -0.037 0.000 0.264 1448 T C 1.765 176.494 174.700 0.047 0.000 1.100 1448 T CA 2.178 64.456 62.100 0.295 0.000 1.171 1448 T CB -0.253 68.705 68.868 0.149 0.000 0.863 1448 T HN 0.341 nan 8.240 nan 0.000 0.430 1449 E N 1.188 121.371 120.200 -0.028 0.000 2.012 1449 E HA -0.098 4.230 4.350 -0.037 0.000 0.197 1449 E C 2.331 178.861 176.600 -0.117 0.000 1.007 1449 E CA 1.613 57.949 56.400 -0.107 0.000 0.816 1449 E CB -0.801 28.842 29.700 -0.096 0.000 0.762 1449 E HN 0.412 nan 8.360 nan 0.000 0.451 1450 A N 0.736 123.506 122.820 -0.085 0.000 2.009 1450 A HA -0.225 4.073 4.320 -0.037 0.000 0.222 1450 A C 2.340 179.815 177.584 -0.182 0.000 1.175 1450 A CA 2.540 54.511 52.037 -0.110 0.000 0.651 1450 A CB -1.147 17.744 19.000 -0.181 0.000 0.815 1450 A HN 0.453 nan 8.150 nan 0.000 0.459 1451 A N 0.143 122.888 122.820 -0.125 0.000 1.823 1451 A HA 0.025 4.323 4.320 -0.037 0.000 0.214 1451 A C 1.924 179.483 177.584 -0.041 0.000 1.225 1451 A CA 1.388 53.408 52.037 -0.028 0.000 0.604 1451 A CB -0.643 18.490 19.000 0.223 0.000 0.878 1451 A HN 0.356 nan 8.150 nan 0.000 0.450 1452 I N 0.353 120.828 120.570 -0.158 0.000 2.181 1452 I HA -0.340 3.807 4.170 -0.037 0.000 0.247 1452 I C 2.709 178.618 176.117 -0.346 0.000 1.081 1452 I CA 1.923 62.995 61.300 -0.380 0.000 1.340 1452 I CB -1.586 35.946 38.000 -0.780 0.000 1.036 1452 I HN 0.406 nan 8.210 nan 0.000 0.417 1453 A N -0.451 122.224 122.820 -0.242 0.000 2.072 1453 A HA 0.330 4.628 4.320 -0.037 0.000 0.216 1453 A C 1.677 179.237 177.584 -0.039 0.000 1.156 1453 A CA 0.896 52.844 52.037 -0.148 0.000 0.701 1453 A CB -0.554 18.378 19.000 -0.113 0.000 0.816 1453 A HN 0.650 nan 8.150 nan 0.000 0.458 1454 G N 0.233 109.021 108.800 -0.021 0.000 2.470 1454 G HA2 -0.180 3.758 3.960 -0.037 0.000 0.286 1454 G HA3 -0.180 3.758 3.960 -0.037 0.000 0.286 1454 G C -0.313 174.620 174.900 0.055 0.000 1.115 1454 G CA 0.014 45.131 45.100 0.029 0.000 1.122 1454 G HN 0.302 nan 8.290 nan 0.000 0.522 1455 K N 0.623 121.057 120.400 0.057 0.000 2.297 1455 K HA 0.209 4.507 4.320 -0.037 0.000 0.286 1455 K C 0.691 177.492 176.600 0.336 0.000 1.053 1455 K CA -0.082 56.317 56.287 0.187 0.000 0.940 1455 K CB 0.843 33.510 32.500 0.278 0.000 1.019 1455 K HN 0.470 nan 8.250 nan 0.000 0.475 1456 K N 2.673 123.232 120.400 0.265 0.000 2.257 1456 K HA 0.054 4.352 4.320 -0.037 0.000 0.270 1456 K C -0.211 176.510 176.600 0.202 0.000 1.098 1456 K CA -0.408 56.032 56.287 0.255 0.000 0.943 1456 K CB 0.727 33.313 32.500 0.145 0.000 1.316 1456 K HN 0.377 nan 8.250 nan 0.000 0.447 1457 D N 4.260 124.776 120.400 0.193 0.000 2.482 1457 D HA -0.061 4.556 4.640 -0.037 0.000 0.244 1457 D C -0.361 175.881 176.300 -0.097 0.000 1.242 1457 D CA 0.300 54.230 54.000 -0.116 0.000 1.097 1457 D CB 0.346 40.731 40.800 -0.690 0.000 1.109 1457 D HN 0.335 nan 8.370 nan 0.000 0.510 1458 E N 2.831 123.011 120.200 -0.034 0.000 2.491 1458 E HA -0.014 4.313 4.350 -0.037 0.000 0.250 1458 E C 0.314 176.869 176.600 -0.076 0.000 1.061 1458 E CA 0.030 56.411 56.400 -0.031 0.000 0.942 1458 E CB 0.737 30.436 29.700 -0.002 0.000 0.957 1458 E HN 0.489 nan 8.360 nan 0.000 0.480 1459 L N 5.513 126.692 121.223 -0.073 0.000 2.600 1459 L HA 0.044 4.361 4.340 -0.037 0.000 0.278 1459 L C 1.333 178.164 176.870 -0.064 0.000 1.139 1459 L CA 0.131 54.920 54.840 -0.084 0.000 0.933 1459 L CB -0.250 41.770 42.059 -0.066 0.000 1.266 1459 L HN 0.512 nan 8.230 nan 0.000 0.471 1460 I N 1.171 121.683 120.570 -0.096 0.000 3.393 1460 I HA 0.171 4.318 4.170 -0.037 0.000 0.250 1460 I C 1.759 177.817 176.117 -0.099 0.000 1.122 1460 I CA 0.228 61.468 61.300 -0.099 0.000 1.484 1460 I CB -0.156 37.738 38.000 -0.176 0.000 1.468 1460 I HN 0.623 nan 8.210 nan 0.000 0.461 1461 G N 0.726 109.443 108.800 -0.137 0.000 2.712 1461 G HA2 0.223 4.161 3.960 -0.037 0.000 0.258 1461 G HA3 0.223 4.161 3.960 -0.037 0.000 0.258 1461 G C 0.714 175.671 174.900 0.095 0.000 1.241 1461 G CA -0.299 44.757 45.100 -0.074 0.000 0.923 1461 G HN 0.134 nan 8.290 nan 0.000 0.548 1462 L N -0.416 120.970 121.223 0.272 0.000 2.062 1462 L HA 0.076 4.394 4.340 -0.037 0.000 0.202 1462 L C 2.842 179.734 176.870 0.038 0.000 1.079 1462 L CA 1.054 55.967 54.840 0.122 0.000 0.755 1462 L CB -0.642 41.477 42.059 0.100 0.000 0.913 1462 L HN 0.679 nan 8.230 nan 0.000 0.445 1463 K N 0.936 121.292 120.400 -0.072 0.000 2.090 1463 K HA -0.309 3.988 4.320 -0.037 0.000 0.218 1463 K C 1.966 178.475 176.600 -0.152 0.000 1.055 1463 K CA 2.712 58.843 56.287 -0.261 0.000 0.941 1463 K CB -0.216 31.881 32.500 -0.672 0.000 0.722 1463 K HN 0.543 nan 8.250 nan 0.000 0.458 1464 E N 0.050 120.188 120.200 -0.105 0.000 2.023 1464 E HA -0.255 4.073 4.350 -0.037 0.000 0.196 1464 E C 1.931 178.469 176.600 -0.104 0.000 1.003 1464 E CA 1.331 57.657 56.400 -0.123 0.000 0.809 1464 E CB -0.747 28.876 29.700 -0.128 0.000 0.755 1464 E HN 0.351 nan 8.360 nan 0.000 0.449 1465 N N 0.837 119.496 118.700 -0.068 0.000 2.519 1465 N HA -0.103 4.614 4.740 -0.037 0.000 0.186 1465 N C 1.701 177.184 175.510 -0.046 0.000 1.062 1465 N CA 0.803 53.821 53.050 -0.055 0.000 0.910 1465 N CB 0.258 38.725 38.487 -0.033 0.000 0.958 1465 N HN 0.131 nan 8.380 nan 0.000 0.445 1466 V N 0.914 120.798 119.914 -0.050 0.000 2.725 1466 V HA -0.064 4.034 4.120 -0.037 0.000 0.247 1466 V C 2.251 178.321 176.094 -0.039 0.000 1.058 1466 V CA 0.548 62.822 62.300 -0.043 0.000 1.080 1466 V CB -0.195 31.598 31.823 -0.049 0.000 0.713 1466 V HN 0.202 nan 8.190 nan 0.000 0.465 1467 I N 0.164 120.706 120.570 -0.046 0.000 2.248 1467 I HA -0.298 3.849 4.170 -0.037 0.000 0.248 1467 I C 2.350 178.456 176.117 -0.017 0.000 1.107 1467 I CA 1.795 63.078 61.300 -0.028 0.000 1.373 1467 I CB -0.419 37.563 38.000 -0.030 0.000 1.055 1467 I HN 0.279 nan 8.210 nan 0.000 0.418 1468 L N 1.152 122.358 121.223 -0.028 0.000 2.465 1468 L HA 0.020 4.338 4.340 -0.037 0.000 0.224 1468 L C 1.567 178.426 176.870 -0.019 0.000 1.145 1468 L CA 0.926 55.754 54.840 -0.021 0.000 0.834 1468 L CB -0.357 41.684 42.059 -0.031 0.000 0.944 1468 L HN 0.503 nan 8.230 nan 0.000 0.451 1469 G N 0.557 109.345 108.800 -0.021 0.000 2.168 1469 G HA2 -0.364 3.573 3.960 -0.037 0.000 0.257 1469 G HA3 -0.364 3.573 3.960 -0.037 0.000 0.257 1469 G C 0.525 175.411 174.900 -0.025 0.000 0.997 1469 G CA 0.638 45.726 45.100 -0.020 0.000 0.708 1469 G HN 0.488 nan 8.290 nan 0.000 0.520 1470 R N -0.903 119.581 120.500 -0.027 0.000 2.649 1470 R HA 0.592 4.910 4.340 -0.037 0.000 0.270 1470 R C 0.696 176.979 176.300 -0.028 0.000 1.105 1470 R CA -0.915 55.167 56.100 -0.029 0.000 1.193 1470 R CB 0.180 30.463 30.300 -0.029 0.000 1.120 1470 R HN 0.173 nan 8.270 nan 0.000 0.561 1471 L N 2.488 123.692 121.223 -0.032 0.000 2.483 1471 L HA 0.075 4.393 4.340 -0.037 0.000 0.276 1471 L C -0.219 176.643 176.870 -0.013 0.000 1.213 1471 L CA 0.400 55.223 54.840 -0.028 0.000 0.843 1471 L CB 0.472 42.505 42.059 -0.043 0.000 1.107 1471 L HN 0.442 nan 8.230 nan 0.000 0.487 1472 I N 6.857 127.425 120.570 -0.003 0.000 2.505 1472 I HA 0.066 4.214 4.170 -0.037 0.000 0.287 1472 I C -1.411 174.713 176.117 0.012 0.000 1.104 1472 I CA -1.609 59.693 61.300 0.003 0.000 1.387 1472 I CB 0.292 38.297 38.000 0.007 0.000 1.404 1472 I HN 0.522 nan 8.210 nan 0.000 0.528 1473 P HA -0.040 nan 4.420 nan 0.000 0.236 1473 P C 0.884 178.198 177.300 0.022 0.000 1.172 1473 P CA 0.670 63.782 63.100 0.019 0.000 0.759 1473 P CB 0.546 32.251 31.700 0.009 0.000 0.843 1474 A N -1.039 121.791 122.820 0.017 0.000 2.011 1474 A HA 0.438 4.736 4.320 -0.037 0.000 0.204 1474 A C 1.826 179.417 177.584 0.012 0.000 1.520 1474 A CA 0.864 52.906 52.037 0.009 0.000 0.819 1474 A CB -1.107 17.892 19.000 -0.002 0.000 1.087 1474 A HN 0.229 nan 8.150 nan 0.000 0.526 1475 G N -0.550 108.259 108.800 0.015 0.000 2.572 1475 G HA2 0.125 4.063 3.960 -0.037 0.000 0.144 1475 G HA3 0.125 4.063 3.960 -0.037 0.000 0.144 1475 G C 1.117 176.041 174.900 0.040 0.000 1.747 1475 G CA 1.280 46.391 45.100 0.018 0.000 1.007 1475 G HN 0.280 nan 8.290 nan 0.000 0.452 1476 T N 0.745 115.339 114.554 0.066 0.000 2.977 1476 T HA 0.008 4.335 4.350 -0.037 0.000 0.271 1476 T C 2.110 176.875 174.700 0.108 0.000 1.105 1476 T CA 1.173 63.341 62.100 0.114 0.000 1.116 1476 T CB -0.334 68.664 68.868 0.216 0.000 0.878 1476 T HN 0.515 nan 8.240 nan 0.000 0.509 1477 G N 1.174 110.017 108.800 0.072 0.000 3.094 1477 G HA2 0.059 3.996 3.960 -0.037 0.000 0.208 1477 G HA3 0.059 3.996 3.960 -0.037 0.000 0.208 1477 G C 0.439 175.382 174.900 0.072 0.000 1.189 1477 G CA -0.205 44.925 45.100 0.051 0.000 0.856 1477 G HN 0.447 nan 8.290 nan 0.000 0.510 1478 S N 0.316 116.074 115.700 0.097 0.000 2.474 1478 S HA 0.113 4.560 4.470 -0.037 0.000 0.276 1478 S C 1.225 175.945 174.600 0.200 0.000 1.227 1478 S CA -0.615 57.663 58.200 0.131 0.000 1.050 1478 S CB 0.437 63.712 63.200 0.124 0.000 0.939 1478 S HN 0.357 nan 8.310 nan 0.000 0.490 1479 D N 3.792 124.309 120.400 0.196 0.000 2.357 1479 D HA -0.150 4.468 4.640 -0.037 0.000 0.216 1479 D C 1.089 177.541 176.300 0.254 0.000 0.973 1479 D CA 0.953 55.094 54.000 0.234 0.000 0.912 1479 D CB -0.015 40.877 40.800 0.153 0.000 0.900 1479 D HN 0.678 nan 8.370 nan 0.000 0.501 1480 F N 0.923 120.934 119.950 0.101 0.000 2.163 1480 F HA -0.140 4.365 4.527 -0.037 0.000 0.297 1480 F C 2.072 177.938 175.800 0.110 0.000 1.094 1480 F CA 0.950 58.999 58.000 0.082 0.000 1.290 1480 F CB 0.137 39.169 39.000 0.052 0.000 1.017 1480 F HN -0.224 nan 8.300 nan 0.000 0.483 1481 V N -0.822 119.362 119.914 0.450 0.000 3.523 1481 V HA 0.073 4.171 4.120 -0.037 0.000 0.255 1481 V C 2.111 178.349 176.094 0.240 0.000 1.226 1481 V CA 0.282 62.783 62.300 0.335 0.000 1.092 1481 V CB -0.363 31.606 31.823 0.244 0.000 0.817 1481 V HN 0.085 nan 8.190 nan 0.000 0.458 1482 R N 0.263 120.894 120.500 0.217 0.000 2.178 1482 R HA -0.179 4.138 4.340 -0.037 0.000 0.257 1482 R C -0.022 176.186 176.300 -0.154 0.000 1.163 1482 R CA 1.682 57.800 56.100 0.030 0.000 0.981 1482 R CB -0.197 30.108 30.300 0.007 0.000 0.878 1482 R HN 0.418 nan 8.270 nan 0.000 0.454 1483 F N -0.004 119.977 119.950 0.050 0.000 2.361 1483 F HA 0.302 4.806 4.527 -0.037 0.000 0.364 1483 F C -0.361 175.463 175.800 0.040 0.000 1.117 1483 F CA -0.254 57.764 58.000 0.030 0.000 1.071 1483 F CB 1.999 41.000 39.000 0.002 0.000 1.188 1483 F HN -0.281 nan 8.300 nan 0.000 0.464 1484 T N 2.750 117.405 114.554 0.169 0.000 3.578 1484 T HA 0.308 4.636 4.350 -0.037 0.000 0.343 1484 T C -0.764 173.993 174.700 0.095 0.000 1.126 1484 T CA -1.003 61.175 62.100 0.132 0.000 1.092 1484 T CB 1.462 70.408 68.868 0.130 0.000 1.160 1484 T HN 0.406 nan 8.240 nan 0.000 0.469 1485 Q N 1.231 121.080 119.800 0.081 0.000 2.248 1485 Q HA 0.835 5.153 4.340 -0.037 0.000 0.263 1485 Q C -0.250 175.780 176.000 0.050 0.000 1.007 1485 Q CA -1.222 54.618 55.803 0.062 0.000 0.877 1485 Q CB 2.491 31.263 28.738 0.058 0.000 1.315 1485 Q HN 0.625 nan 8.270 nan 0.000 0.454 1486 V N -1.618 118.321 119.914 0.043 0.000 2.815 1486 V HA 0.906 5.004 4.120 -0.037 0.000 0.314 1486 V C -0.515 175.596 176.094 0.028 0.000 1.064 1486 V CA -0.616 61.704 62.300 0.034 0.000 0.952 1486 V CB 1.702 33.545 31.823 0.032 0.000 1.020 1486 V HN 0.578 nan 8.190 nan 0.000 0.439 1487 V N 0.908 120.836 119.914 0.023 0.000 3.181 1487 V HA 0.650 4.748 4.120 -0.037 0.000 0.308 1487 V C -1.495 174.609 176.094 0.017 0.000 1.214 1487 V CA -0.689 61.623 62.300 0.020 0.000 1.053 1487 V CB 2.270 34.105 31.823 0.019 0.000 1.069 1487 V HN 1.011 nan 8.190 nan 0.000 0.441 1488 D N 0.737 121.146 120.400 0.015 0.000 2.498 1488 D HA 0.317 4.934 4.640 -0.037 0.000 0.247 1488 D C 0.428 176.735 176.300 0.012 0.000 1.070 1488 D CA -0.597 53.411 54.000 0.013 0.000 0.842 1488 D CB 2.269 43.077 40.800 0.013 0.000 1.361 1488 D HN 0.424 nan 8.370 nan 0.000 0.484 1489 Q N 1.025 120.831 119.800 0.011 0.000 2.248 1489 Q HA -0.177 4.141 4.340 -0.037 0.000 0.208 1489 Q C 1.354 177.359 176.000 0.010 0.000 0.984 1489 Q CA 1.342 57.151 55.803 0.010 0.000 0.875 1489 Q CB 0.059 28.802 28.738 0.009 0.000 0.910 1489 Q HN 0.487 nan 8.270 nan 0.000 0.433 1490 K N -0.044 120.362 120.400 0.010 0.000 2.001 1490 K HA -0.089 4.209 4.320 -0.037 0.000 0.208 1490 K C 2.282 178.888 176.600 0.010 0.000 1.048 1490 K CA 1.761 58.053 56.287 0.010 0.000 0.932 1490 K CB -0.262 32.244 32.500 0.010 0.000 0.715 1490 K HN 0.363 nan 8.250 nan 0.000 0.437 1491 T N 0.918 115.479 114.554 0.011 0.000 2.867 1491 T HA -0.077 4.251 4.350 -0.037 0.000 0.268 1491 T C 1.835 176.542 174.700 0.011 0.000 1.057 1491 T CA 0.490 62.597 62.100 0.011 0.000 1.136 1491 T CB -0.218 68.658 68.868 0.013 0.000 0.874 1491 T HN 0.009 nan 8.240 nan 0.000 0.466 1492 L N 1.039 122.269 121.223 0.011 0.000 2.012 1492 L HA -0.099 4.219 4.340 -0.037 0.000 0.210 1492 L C 2.316 179.192 176.870 0.009 0.000 1.073 1492 L CA 2.019 56.865 54.840 0.011 0.000 0.748 1492 L CB -0.740 41.325 42.059 0.010 0.000 0.891 1492 L HN 0.240 nan 8.230 nan 0.000 0.431 1493 K N -0.051 120.354 120.400 0.008 0.000 2.097 1493 K HA -0.042 4.256 4.320 -0.037 0.000 0.205 1493 K C 2.099 178.704 176.600 0.007 0.000 1.050 1493 K CA 1.211 57.502 56.287 0.007 0.000 0.938 1493 K CB -0.525 31.979 32.500 0.007 0.000 0.718 1493 K HN 0.370 nan 8.250 nan 0.000 0.442 1494 A N 1.733 124.558 122.820 0.008 0.000 1.892 1494 A HA -0.194 4.104 4.320 -0.037 0.000 0.218 1494 A C 2.210 179.798 177.584 0.008 0.000 1.188 1494 A CA 1.659 53.700 52.037 0.008 0.000 0.631 1494 A CB -0.536 18.469 19.000 0.009 0.000 0.822 1494 A HN 0.251 nan 8.150 nan 0.000 0.447 1495 I N -0.217 120.358 120.570 0.008 0.000 2.439 1495 I HA -0.107 4.040 4.170 -0.037 0.000 0.251 1495 I C 2.084 178.205 176.117 0.007 0.000 1.139 1495 I CA 1.924 63.229 61.300 0.008 0.000 1.438 1495 I CB -0.313 37.693 38.000 0.010 0.000 1.085 1495 I HN 0.464 nan 8.210 nan 0.000 0.427 1496 E N 0.683 120.887 120.200 0.007 0.000 2.153 1496 E HA -0.225 4.103 4.350 -0.037 0.000 0.194 1496 E C 1.846 178.449 176.600 0.005 0.000 0.988 1496 E CA 1.377 57.781 56.400 0.006 0.000 0.811 1496 E CB -0.258 29.445 29.700 0.006 0.000 0.746 1496 E HN 0.438 nan 8.360 nan 0.000 0.466 1497 E N 0.184 120.388 120.200 0.006 0.000 2.204 1497 E HA -0.072 4.256 4.350 -0.037 0.000 0.194 1497 E C 1.925 178.528 176.600 0.005 0.000 0.989 1497 E CA 1.084 57.487 56.400 0.005 0.000 0.824 1497 E CB -0.449 29.254 29.700 0.005 0.000 0.756 1497 E HN 0.435 nan 8.360 nan 0.000 0.477 1498 A N 1.045 123.868 122.820 0.005 0.000 1.969 1498 A HA -0.116 4.182 4.320 -0.037 0.000 0.218 1498 A C 2.146 179.733 177.584 0.005 0.000 1.169 1498 A CA 1.020 53.061 52.037 0.005 0.000 0.635 1498 A CB -0.231 18.773 19.000 0.006 0.000 0.810 1498 A HN 0.074 nan 8.150 nan 0.000 0.445 1499 R N -0.424 120.079 120.500 0.004 0.000 2.127 1499 R HA 0.030 4.348 4.340 -0.037 0.000 0.217 1499 R C 1.951 178.253 176.300 0.003 0.000 1.074 1499 R CA 1.060 57.162 56.100 0.004 0.000 0.991 1499 R CB -0.147 30.155 30.300 0.004 0.000 0.895 1499 R HN 0.447 nan 8.270 nan 0.000 0.450 1500 K N 0.864 121.266 120.400 0.004 0.000 2.147 1500 K HA -0.163 4.135 4.320 -0.037 0.000 0.205 1500 K C 1.633 178.235 176.600 0.003 0.000 1.049 1500 K CA 1.342 57.631 56.287 0.003 0.000 0.936 1500 K CB 0.031 32.534 32.500 0.003 0.000 0.722 1500 K HN 0.279 nan 8.250 nan 0.000 0.446 1501 E N 0.521 120.723 120.200 0.003 0.000 2.347 1501 E HA -0.101 4.227 4.350 -0.037 0.000 0.196 1501 E C 1.816 178.418 176.600 0.003 0.000 1.008 1501 E CA 0.559 56.960 56.400 0.003 0.000 0.852 1501 E CB -0.010 29.692 29.700 0.003 0.000 0.783 1501 E HN 0.304 nan 8.360 nan 0.000 0.505 1502 A N 1.222 124.043 122.820 0.003 0.000 2.125 1502 A HA -0.074 4.223 4.320 -0.037 0.000 0.219 1502 A C 1.279 178.864 177.584 0.002 0.000 1.156 1502 A CA 0.454 52.492 52.037 0.002 0.000 0.671 1502 A CB -0.272 18.729 19.000 0.002 0.000 0.794 1502 A HN 0.054 nan 8.150 nan 0.000 0.459 1503 V N 2.288 122.203 119.914 0.002 0.000 2.409 1503 V HA 0.020 4.118 4.120 -0.037 0.000 0.270 1503 V C 0.053 176.148 176.094 0.002 0.000 1.019 1503 V CA -0.086 62.215 62.300 0.002 0.000 1.066 1503 V CB -0.375 31.450 31.823 0.002 0.000 1.021 1503 V HN 0.497 nan 8.190 nan 0.000 0.476 1504 E N 4.614 124.814 120.200 0.002 0.000 2.289 1504 E HA 0.558 4.885 4.350 -0.037 0.000 0.278 1504 E C 0.688 177.289 176.600 0.001 0.000 1.032 1504 E CA 0.344 56.745 56.400 0.001 0.000 0.854 1504 E CB 1.074 30.775 29.700 0.001 0.000 1.046 1504 E HN 1.012 nan 8.360 nan 0.000 0.409 1505 A N 0.000 122.821 122.820 0.001 0.000 2.254 1505 A HA 0.000 4.298 4.320 -0.037 0.000 0.244 1505 A CA 0.000 52.038 52.037 0.001 0.000 0.836 1505 A CB 0.000 19.001 19.000 0.001 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486