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 2ppb_1_N DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKDYECACG KYKRQRFEGK VCERCGVEVT KSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLSAT ELEQVLYFSK YIVLDPKGAI LNGVPVEKRQ DATA SEQUENCE LLTDEEYREL RYGKQETYPL PPGVDALVKD GEEVVKGQEL APGVVSRLDG DATA SEQUENCE VALYRFXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLTMRTF HTXXXXXXXD 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 0.000 176.621 176.600 0.035 0.000 0.988 2 K CA 0.000 56.309 56.287 0.036 0.000 0.838 2 K CB 0.000 32.521 32.500 0.035 0.000 1.064 3 K N 1.861 122.282 120.400 0.036 0.000 2.286 3 K HA 0.103 4.425 4.320 0.004 0.000 0.256 3 K C 0.190 176.812 176.600 0.035 0.000 0.999 3 K CA -0.040 56.268 56.287 0.036 0.000 0.908 3 K CB 0.764 33.286 32.500 0.036 0.000 0.981 3 K HN -0.002 nan 8.250 nan 0.000 0.500 4 E N 1.193 121.415 120.200 0.036 0.000 2.259 4 E HA 0.091 4.443 4.350 0.004 0.000 0.281 4 E C -0.959 175.661 176.600 0.034 0.000 1.027 4 E CA -0.736 55.685 56.400 0.035 0.000 0.838 4 E CB 1.075 30.799 29.700 0.040 0.000 1.066 4 E HN 0.336 nan 8.360 nan 0.000 0.401 5 V N 6.918 126.849 119.914 0.029 0.000 2.397 5 V HA 0.101 4.224 4.120 0.004 0.000 0.262 5 V C 1.127 177.238 176.094 0.029 0.000 1.047 5 V CA 0.205 62.523 62.300 0.030 0.000 1.003 5 V CB 0.215 32.052 31.823 0.024 0.000 1.037 5 V HN 0.724 nan 8.190 nan 0.000 0.480 6 R N 2.997 123.519 120.500 0.037 0.000 2.279 6 R HA 0.303 4.646 4.340 0.004 0.000 0.195 6 R C -0.018 176.304 176.300 0.038 0.000 0.905 6 R CA 0.088 56.209 56.100 0.035 0.000 1.044 6 R CB 0.633 30.958 30.300 0.041 0.000 1.056 6 R HN 0.502 nan 8.270 nan 0.000 0.535 7 K N 0.952 121.384 120.400 0.054 0.000 2.535 7 K HA 0.405 4.727 4.320 0.004 0.000 0.251 7 K C -1.231 175.441 176.600 0.119 0.000 0.942 7 K CA -0.499 55.835 56.287 0.078 0.000 0.798 7 K CB 3.436 35.989 32.500 0.089 0.000 1.267 7 K HN -0.229 nan 8.250 nan 0.000 0.434 8 V N 2.086 122.106 119.914 0.177 0.000 2.850 8 V HA 0.609 4.732 4.120 0.004 0.000 0.315 8 V C -0.361 176.040 176.094 0.511 0.000 1.064 8 V CA -0.806 61.681 62.300 0.313 0.000 0.979 8 V CB 1.760 33.777 31.823 0.324 0.000 1.039 8 V HN 0.702 nan 8.190 nan 0.000 0.452 9 R N 2.988 123.700 120.500 0.353 0.000 2.508 9 R HA 0.442 4.785 4.340 0.004 0.000 0.283 9 R C -1.901 174.344 176.300 -0.093 0.000 1.120 9 R CA -0.455 55.711 56.100 0.111 0.000 0.958 9 R CB 1.475 31.832 30.300 0.095 0.000 1.215 9 R HN 0.733 nan 8.270 nan 0.000 0.427 10 I N 3.242 123.549 120.570 -0.437 0.000 2.365 10 I HA 0.609 4.781 4.170 0.004 0.000 0.291 10 I C 0.277 176.265 176.117 -0.214 0.000 1.004 10 I CA -0.618 60.468 61.300 -0.356 0.000 1.311 10 I CB 1.672 39.304 38.000 -0.613 0.000 1.401 10 I HN 0.657 nan 8.210 nan 0.000 0.491 11 A N 6.434 129.214 122.820 -0.068 0.000 2.539 11 A HA 0.716 5.039 4.320 0.004 0.000 0.296 11 A C -0.546 177.100 177.584 0.104 0.000 1.073 11 A CA -0.694 51.351 52.037 0.013 0.000 0.700 11 A CB 1.247 20.282 19.000 0.060 0.000 1.296 11 A HN 0.671 nan 8.150 nan 0.000 0.405 12 L N 0.859 122.180 121.223 0.163 0.000 2.479 12 L HA 0.327 4.669 4.340 0.004 0.000 0.270 12 L C 1.011 178.040 176.870 0.264 0.000 1.236 12 L CA -0.090 54.912 54.840 0.270 0.000 0.823 12 L CB 0.604 42.889 42.059 0.378 0.000 1.098 12 L HN 0.854 nan 8.230 nan 0.000 0.500 13 A N 1.490 124.493 122.820 0.305 0.000 2.260 13 A HA 0.476 4.799 4.320 0.004 0.000 0.308 13 A C -0.113 177.360 177.584 -0.185 0.000 1.254 13 A CA -0.449 51.708 52.037 0.199 0.000 0.874 13 A CB 0.402 19.652 19.000 0.417 0.000 1.153 13 A HN 0.651 nan 8.150 nan 0.000 0.527 14 S N 4.781 120.138 115.700 -0.573 0.000 2.523 14 S HA 0.277 4.750 4.470 0.004 0.000 0.275 14 S C -1.877 172.334 174.600 -0.650 0.000 1.281 14 S CA -0.880 56.674 58.200 -1.077 0.000 1.050 14 S CB 0.978 63.489 63.200 -1.149 0.000 0.937 14 S HN 0.560 nan 8.310 nan 0.000 0.492 15 P HA -0.254 nan 4.420 nan 0.000 0.218 15 P C 1.533 178.566 177.300 -0.445 0.000 1.152 15 P CA 1.298 64.192 63.100 -0.343 0.000 0.857 15 P CB 0.029 31.614 31.700 -0.192 0.000 0.787 16 E N 0.011 119.939 120.200 -0.453 0.000 2.150 16 E HA -0.213 4.139 4.350 0.004 0.000 0.193 16 E C 2.014 178.295 176.600 -0.531 0.000 0.985 16 E CA 1.025 57.175 56.400 -0.417 0.000 0.814 16 E CB -0.712 28.795 29.700 -0.322 0.000 0.752 16 E HN 0.235 nan 8.360 nan 0.000 0.466 17 K N 0.602 120.614 120.400 -0.647 0.000 2.097 17 K HA -0.084 4.238 4.320 0.004 0.000 0.205 17 K C 2.195 177.813 176.600 -1.638 0.000 1.050 17 K CA 0.863 56.608 56.287 -0.904 0.000 0.938 17 K CB 0.034 32.138 32.500 -0.661 0.000 0.718 17 K HN 0.109 nan 8.250 nan 0.000 0.442 18 I N 1.969 121.725 120.570 -1.356 0.000 2.151 18 I HA -0.320 3.853 4.170 0.004 0.000 0.243 18 I C 2.171 177.865 176.117 -0.705 0.000 1.080 18 I CA 1.531 62.137 61.300 -1.156 0.000 1.339 18 I CB -1.138 36.573 38.000 -0.482 0.000 1.039 18 I HN 0.248 nan 8.210 nan 0.000 0.409 19 R N 0.486 120.548 120.500 -0.730 0.000 2.092 19 R HA -0.067 4.276 4.340 0.004 0.000 0.231 19 R C 2.368 178.501 176.300 -0.278 0.000 1.119 19 R CA 1.396 57.142 56.100 -0.589 0.000 0.970 19 R CB -1.133 28.800 30.300 -0.612 0.000 0.864 19 R HN 0.355 nan 8.270 nan 0.000 0.440 20 S N 0.709 116.152 115.700 -0.427 0.000 2.359 20 S HA -0.123 4.350 4.470 0.004 0.000 0.224 20 S C 1.622 176.165 174.600 -0.095 0.000 1.035 20 S CA 1.060 59.088 58.200 -0.287 0.000 1.018 20 S CB -0.171 62.823 63.200 -0.344 0.000 0.876 20 S HN 0.498 nan 8.310 nan 0.000 0.448 21 W N 1.794 123.129 121.300 0.058 0.000 2.519 21 W HA 0.352 5.014 4.660 0.004 0.000 0.266 21 W C 1.445 178.119 176.519 0.258 0.000 1.253 21 W CA -0.002 57.434 57.345 0.153 0.000 1.274 21 W CB -1.844 27.700 29.460 0.139 0.000 1.114 21 W HN 0.319 nan 8.180 nan 0.000 0.596 22 S N 0.649 116.562 115.700 0.355 0.000 2.531 22 S HA 0.157 4.630 4.470 0.004 0.000 0.279 22 S C -1.056 173.659 174.600 0.191 0.000 1.305 22 S CA -0.150 58.267 58.200 0.361 0.000 1.058 22 S CB 0.197 63.703 63.200 0.510 0.000 0.899 22 S HN 0.053 nan 8.310 nan 0.000 0.493 23 Y N 3.536 123.850 120.300 0.023 0.000 2.464 23 Y HA 0.538 5.090 4.550 0.004 0.000 0.326 23 Y C 0.909 176.661 175.900 -0.246 0.000 0.969 23 Y CA 0.211 58.264 58.100 -0.078 0.000 1.270 23 Y CB 1.043 39.471 38.460 -0.052 0.000 1.103 23 Y HN 1.165 nan 8.280 nan 0.000 0.491 24 G N 2.396 111.109 108.800 -0.145 0.000 2.755 24 G HA2 -0.164 3.799 3.960 0.004 0.000 0.686 24 G HA3 -0.164 3.799 3.960 0.004 0.000 0.686 24 G C -0.919 173.750 174.900 -0.386 0.000 1.427 24 G CA -0.834 44.102 45.100 -0.274 0.000 0.873 24 G HN 0.493 nan 8.290 nan 0.000 0.580 25 E N 0.078 120.048 120.200 -0.382 0.000 2.182 25 E HA 0.432 4.784 4.350 0.004 0.000 0.258 25 E C 0.277 176.742 176.600 -0.225 0.000 0.879 25 E CA -0.659 55.496 56.400 -0.409 0.000 0.754 25 E CB 1.513 30.970 29.700 -0.407 0.000 1.162 25 E HN 0.581 nan 8.360 nan 0.000 0.419 26 V N 5.633 125.464 119.914 -0.140 0.000 2.403 26 V HA -0.006 4.117 4.120 0.004 0.000 0.265 26 V C 1.229 177.308 176.094 -0.026 0.000 1.034 26 V CA 0.424 62.696 62.300 -0.046 0.000 1.036 26 V CB -0.028 31.820 31.823 0.043 0.000 1.032 26 V HN 0.646 nan 8.190 nan 0.000 0.478 27 E N 2.446 122.626 120.200 -0.033 0.000 2.498 27 E HA 0.303 4.656 4.350 0.004 0.000 0.203 27 E C -0.043 176.558 176.600 0.001 0.000 1.013 27 E CA -0.410 55.981 56.400 -0.015 0.000 0.927 27 E CB 0.661 30.345 29.700 -0.028 0.000 1.012 27 E HN 0.527 nan 8.360 nan 0.000 0.482 28 K N 1.524 121.927 120.400 0.005 0.000 2.523 28 K HA 0.251 4.574 4.320 0.004 0.000 0.257 28 K C -2.728 173.882 176.600 0.016 0.000 0.932 28 K CA -2.343 53.950 56.287 0.011 0.000 0.812 28 K CB 2.340 34.845 32.500 0.009 0.000 1.326 28 K HN -0.223 nan 8.250 nan 0.000 0.433 29 P HA 0.014 nan 4.420 nan 0.000 0.235 29 P C -0.988 176.325 177.300 0.021 0.000 1.720 29 P CA 0.145 63.257 63.100 0.020 0.000 1.003 29 P CB 0.264 31.977 31.700 0.021 0.000 1.968 30 E N 0.931 121.148 120.200 0.028 0.000 2.346 30 E HA 0.143 4.495 4.350 0.004 0.000 0.239 30 E C 0.839 177.494 176.600 0.090 0.000 0.943 30 E CA -0.244 56.185 56.400 0.048 0.000 0.751 30 E CB 1.224 30.952 29.700 0.046 0.000 1.241 30 E HN 0.165 nan 8.360 nan 0.000 0.423 31 T N 1.924 116.544 114.554 0.111 0.000 2.472 31 T HA 0.016 4.368 4.350 0.004 0.000 0.249 31 T C 1.055 175.943 174.700 0.314 0.000 1.205 31 T CA 0.835 63.079 62.100 0.239 0.000 1.268 31 T CB 0.109 69.098 68.868 0.202 0.000 0.872 31 T HN 0.368 nan 8.240 nan 0.000 0.393 32 I N 0.892 121.566 120.570 0.172 0.000 2.649 32 I HA 0.269 4.441 4.170 0.004 0.000 0.289 32 I C -1.577 174.568 176.117 0.046 0.000 1.222 32 I CA -0.839 60.522 61.300 0.102 0.000 1.046 32 I CB 2.312 40.344 38.000 0.054 0.000 1.272 32 I HN 0.054 nan 8.210 nan 0.000 0.425 33 N N 5.471 124.214 118.700 0.071 0.000 2.437 33 N HA 0.203 4.946 4.740 0.004 0.000 0.243 33 N C 0.921 176.564 175.510 0.221 0.000 1.041 33 N CA -0.328 52.805 53.050 0.138 0.000 0.940 33 N CB 0.370 38.946 38.487 0.149 0.000 1.133 33 N HN 0.592 nan 8.380 nan 0.000 0.506 34 Y N 2.887 123.105 120.300 -0.135 0.000 2.064 34 Y HA -0.481 4.072 4.550 0.004 0.000 0.262 34 Y C 1.845 177.676 175.900 -0.115 0.000 1.243 34 Y CA 1.513 59.503 58.100 -0.183 0.000 1.096 34 Y CB -0.528 37.830 38.460 -0.170 0.000 0.915 34 Y HN 0.451 nan 8.280 nan 0.000 0.505 35 R N 1.242 121.438 120.500 -0.506 0.000 2.159 35 R HA -0.160 4.183 4.340 0.004 0.000 0.252 35 R C 0.616 176.801 176.300 -0.191 0.000 1.144 35 R CA 1.880 57.694 56.100 -0.477 0.000 0.961 35 R CB -1.528 28.537 30.300 -0.393 0.000 0.877 35 R HN 0.556 nan 8.270 nan 0.000 0.444 36 T N -1.491 113.009 114.554 -0.089 0.000 2.847 36 T HA 0.468 4.821 4.350 0.004 0.000 0.291 36 T C 0.593 175.290 174.700 -0.006 0.000 0.998 36 T CA -0.889 61.190 62.100 -0.036 0.000 0.967 36 T CB 1.687 70.544 68.868 -0.018 0.000 0.954 36 T HN 0.162 nan 8.240 nan 0.000 0.441 37 L N 1.151 122.377 121.223 0.005 0.000 2.834 37 L HA 0.091 4.433 4.340 0.004 0.000 0.252 37 L C 0.784 177.669 176.870 0.025 0.000 1.152 37 L CA 0.292 55.151 54.840 0.033 0.000 0.898 37 L CB -1.247 40.877 42.059 0.109 0.000 1.078 37 L HN 0.507 nan 8.230 nan 0.000 0.439 38 K N 0.277 120.689 120.400 0.020 0.000 2.098 38 K HA 0.375 4.698 4.320 0.004 0.000 0.257 38 K C -2.288 174.339 176.600 0.045 0.000 0.999 38 K CA -2.073 54.227 56.287 0.023 0.000 0.924 38 K CB 0.156 32.671 32.500 0.025 0.000 1.028 38 K HN -0.232 nan 8.250 nan 0.000 0.466 39 P HA -0.117 nan 4.420 nan 0.000 0.264 39 P C -0.018 177.347 177.300 0.108 0.000 1.183 39 P CA 0.339 63.519 63.100 0.133 0.000 0.763 39 P CB 0.675 32.481 31.700 0.177 0.000 0.807 40 E N 4.949 125.218 120.200 0.117 0.000 1.983 40 E HA -0.132 4.220 4.350 0.004 0.000 0.202 40 E C 0.990 177.631 176.600 0.068 0.000 0.944 40 E CA 1.548 57.997 56.400 0.082 0.000 0.903 40 E CB -0.224 29.521 29.700 0.075 0.000 0.843 40 E HN 0.446 nan 8.360 nan 0.000 0.542 41 R N -0.285 120.251 120.500 0.061 0.000 2.641 41 R HA 0.317 4.659 4.340 0.004 0.000 0.197 41 R C 1.670 177.996 176.300 0.044 0.000 1.408 41 R CA 0.252 56.378 56.100 0.042 0.000 1.040 41 R CB -1.146 29.170 30.300 0.028 0.000 2.279 41 R HN 0.220 nan 8.270 nan 0.000 0.520 42 D N 0.136 120.548 120.400 0.020 0.000 2.221 42 D HA -0.109 4.534 4.640 0.004 0.000 0.204 42 D C 0.853 177.167 176.300 0.024 0.000 0.982 42 D CA 1.413 55.414 54.000 0.002 0.000 0.857 42 D CB -0.500 40.284 40.800 -0.027 0.000 0.934 42 D HN 0.578 nan 8.370 nan 0.000 0.475 43 G N 1.071 109.895 108.800 0.039 0.000 3.046 43 G HA2 -0.265 3.697 3.960 0.004 0.000 1.025 43 G HA3 -0.265 3.697 3.960 0.004 0.000 1.025 43 G C 1.444 176.387 174.900 0.073 0.000 1.325 43 G CA 0.992 46.121 45.100 0.048 0.000 1.250 43 G HN 0.401 nan 8.290 nan 0.000 0.737 44 L N -3.904 117.303 121.223 -0.026 0.000 2.191 44 L HA 0.223 4.566 4.340 0.004 0.000 0.212 44 L C 2.089 178.799 176.870 -0.267 0.000 1.103 44 L CA 1.476 56.183 54.840 -0.223 0.000 0.769 44 L CB -0.321 41.403 42.059 -0.559 0.000 0.908 44 L HN 0.264 nan 8.230 nan 0.000 0.438 45 F N -0.313 119.703 119.950 0.110 0.000 2.661 45 F HA 0.297 4.827 4.527 0.004 0.000 0.306 45 F C 0.775 176.690 175.800 0.193 0.000 1.094 45 F CA -1.425 56.635 58.000 0.101 0.000 1.254 45 F CB -0.232 38.788 39.000 0.033 0.000 1.040 45 F HN 0.012 nan 8.300 nan 0.000 0.562 46 D N 1.138 121.748 120.400 0.350 0.000 2.449 46 D HA -0.064 4.579 4.640 0.004 0.000 0.236 46 D C 1.381 177.822 176.300 0.235 0.000 1.149 46 D CA 0.543 54.673 54.000 0.217 0.000 0.878 46 D CB 0.891 41.749 40.800 0.096 0.000 1.198 46 D HN 0.313 nan 8.370 nan 0.000 0.446 47 E N 3.190 123.476 120.200 0.144 0.000 2.371 47 E HA -0.094 4.258 4.350 0.004 0.000 0.194 47 E C 1.654 178.295 176.600 0.068 0.000 1.012 47 E CA 0.121 56.594 56.400 0.122 0.000 0.860 47 E CB 0.133 29.882 29.700 0.081 0.000 0.811 47 E HN 0.474 nan 8.360 nan 0.000 0.502 48 R N 1.340 121.853 120.500 0.020 0.000 2.055 48 R HA 0.030 4.373 4.340 0.004 0.000 0.226 48 R C 2.410 178.683 176.300 -0.045 0.000 1.135 48 R CA 0.732 56.827 56.100 -0.008 0.000 0.959 48 R CB -0.111 30.171 30.300 -0.030 0.000 0.854 48 R HN 0.080 nan 8.270 nan 0.000 0.431 49 I N 0.028 120.483 120.570 -0.191 0.000 2.423 49 I HA -0.266 3.906 4.170 0.004 0.000 0.254 49 I C 1.251 176.990 176.117 -0.629 0.000 1.151 49 I CA 1.590 62.584 61.300 -0.509 0.000 1.421 49 I CB -0.077 37.390 38.000 -0.889 0.000 1.079 49 I HN 0.238 nan 8.210 nan 0.000 0.431 50 F N -0.781 119.188 119.950 0.031 0.000 2.495 50 F HA 0.426 4.955 4.527 0.004 0.000 0.272 50 F C 1.099 176.878 175.800 -0.034 0.000 0.919 50 F CA 0.269 58.266 58.000 -0.004 0.000 1.178 50 F CB 0.515 39.524 39.000 0.014 0.000 1.030 50 F HN -0.018 nan 8.300 nan 0.000 0.777 51 G N -0.642 108.263 108.800 0.175 0.000 2.320 51 G HA2 0.263 4.226 3.960 0.004 0.000 0.297 51 G HA3 0.263 4.226 3.960 0.004 0.000 0.297 51 G C -3.212 171.715 174.900 0.045 0.000 1.344 51 G CA -1.087 44.052 45.100 0.064 0.000 0.851 51 G HN -0.328 nan 8.290 nan 0.000 0.567 52 P HA 0.172 nan 4.420 nan 0.000 0.257 52 P C 0.918 178.221 177.300 0.005 0.000 1.189 52 P CA -0.174 62.923 63.100 -0.005 0.000 0.780 52 P CB 0.608 32.285 31.700 -0.039 0.000 0.772 53 I N 2.915 123.497 120.570 0.020 0.000 2.700 53 I HA -0.133 4.040 4.170 0.004 0.000 0.261 53 I C 0.987 177.107 176.117 0.005 0.000 1.219 53 I CA 1.582 62.891 61.300 0.015 0.000 1.463 53 I CB -0.263 37.748 38.000 0.019 0.000 1.092 53 I HN 0.145 nan 8.210 nan 0.000 0.452 54 K N -0.209 120.197 120.400 0.010 0.000 2.238 54 K HA 0.263 4.586 4.320 0.004 0.000 0.239 54 K C 0.568 177.178 176.600 0.017 0.000 0.987 54 K CA -0.510 55.788 56.287 0.018 0.000 0.857 54 K CB 1.107 33.628 32.500 0.035 0.000 1.154 54 K HN -0.168 nan 8.250 nan 0.000 0.439 55 D N 0.267 120.691 120.400 0.042 0.000 2.095 55 D HA -0.195 4.448 4.640 0.004 0.000 0.264 55 D C 0.858 177.216 176.300 0.097 0.000 1.305 55 D CA 2.025 56.071 54.000 0.076 0.000 1.096 55 D CB -0.254 40.612 40.800 0.109 0.000 1.843 55 D HN 0.561 nan 8.370 nan 0.000 0.618 56 Y N 0.119 120.432 120.300 0.022 0.000 2.507 56 Y HA 0.180 4.733 4.550 0.004 0.000 0.263 56 Y C 0.794 176.751 175.900 0.095 0.000 1.093 56 Y CA 0.117 58.245 58.100 0.047 0.000 1.285 56 Y CB 0.350 38.829 38.460 0.032 0.000 1.115 56 Y HN 0.049 nan 8.280 nan 0.000 0.533 57 E N 0.461 120.793 120.200 0.221 0.000 2.422 57 E HA 0.029 4.382 4.350 0.004 0.000 0.260 57 E C 0.254 176.922 176.600 0.114 0.000 1.108 57 E CA 0.131 56.638 56.400 0.179 0.000 0.943 57 E CB 0.785 30.562 29.700 0.129 0.000 0.961 57 E HN 0.379 nan 8.360 nan 0.000 0.443 58 C N 1.844 121.208 119.300 0.107 0.000 2.370 58 C HA 0.789 5.251 4.460 0.004 0.000 0.371 58 C C 1.807 176.819 174.990 0.038 0.000 2.631 58 C CA 0.243 59.292 59.018 0.052 0.000 1.819 58 C CB 0.020 27.776 27.740 0.026 0.000 2.131 58 C HN 0.889 nan 8.230 nan 0.000 0.400 59 A N 0.180 123.011 122.820 0.018 0.000 1.821 59 A HA -0.073 4.250 4.320 0.004 0.000 0.215 59 A C 2.207 179.804 177.584 0.020 0.000 1.214 59 A CA 2.578 54.624 52.037 0.015 0.000 0.608 59 A CB -1.614 17.387 19.000 0.003 0.000 0.862 59 A HN 1.500 nan 8.150 nan 0.000 0.448 60 C N -2.633 116.676 119.300 0.016 0.000 2.485 60 C HA 0.516 4.978 4.460 0.004 0.000 0.277 60 C C 1.908 176.918 174.990 0.034 0.000 1.376 60 C CA 0.212 59.241 59.018 0.019 0.000 1.759 60 C CB -0.639 27.108 27.740 0.011 0.000 1.970 60 C HN 1.850 nan 8.230 nan 0.000 0.509 61 G N 0.649 109.478 108.800 0.048 0.000 2.131 61 G HA2 -0.196 3.767 3.960 0.004 0.000 0.201 61 G HA3 -0.196 3.767 3.960 0.004 0.000 0.201 61 G C 0.835 175.785 174.900 0.083 0.000 1.000 61 G CA 0.366 45.508 45.100 0.072 0.000 0.680 61 G HN 0.378 nan 8.290 nan 0.000 0.514 62 K N -0.875 119.578 120.400 0.088 0.000 2.026 62 K HA -0.007 4.316 4.320 0.004 0.000 0.208 62 K C 0.152 176.852 176.600 0.167 0.000 1.048 62 K CA 1.126 57.492 56.287 0.133 0.000 0.929 62 K CB -0.117 32.480 32.500 0.163 0.000 0.713 62 K HN 0.432 nan 8.250 nan 0.000 0.439 63 Y N 0.386 120.561 120.300 -0.207 0.000 2.328 63 Y HA 0.251 4.803 4.550 0.004 0.000 0.333 63 Y C 0.818 176.796 175.900 0.130 0.000 0.958 63 Y CA -0.748 57.071 58.100 -0.467 0.000 1.167 63 Y CB 1.718 39.639 38.460 -0.898 0.000 1.151 63 Y HN -0.163 nan 8.280 nan 0.000 0.470 64 K N 1.572 122.348 120.400 0.626 0.000 2.438 64 K HA 0.235 4.558 4.320 0.004 0.000 0.206 64 K C 0.664 177.504 176.600 0.399 0.000 1.081 64 K CA 0.032 56.588 56.287 0.450 0.000 1.053 64 K CB 0.785 33.433 32.500 0.247 0.000 0.908 64 K HN 0.506 nan 8.250 nan 0.000 0.556 65 R N -0.501 120.177 120.500 0.297 0.000 3.412 65 R HA 0.217 4.560 4.340 0.004 0.000 0.216 65 R C 0.757 176.884 176.300 -0.289 0.000 1.677 65 R CA -0.217 55.818 56.100 -0.109 0.000 0.931 65 R CB 0.299 30.455 30.300 -0.239 0.000 2.019 65 R HN -0.192 nan 8.270 nan 0.000 0.537 66 Q N 0.070 119.559 119.800 -0.518 0.000 2.391 66 Q HA 0.015 4.358 4.340 0.004 0.000 0.211 66 Q C 1.499 177.280 176.000 -0.366 0.000 0.908 66 Q CA 0.685 56.201 55.803 -0.478 0.000 0.920 66 Q CB 0.296 28.644 28.738 -0.650 0.000 1.056 66 Q HN 0.320 nan 8.270 nan 0.000 0.523 67 R N 0.800 120.965 120.500 -0.559 0.000 2.113 67 R HA -0.171 4.171 4.340 0.004 0.000 0.244 67 R C 1.051 177.238 176.300 -0.189 0.000 1.142 67 R CA 1.993 57.872 56.100 -0.367 0.000 0.953 67 R CB -0.654 29.431 30.300 -0.357 0.000 0.860 67 R HN 0.332 nan 8.270 nan 0.000 0.438 68 F N 0.380 120.405 119.950 0.124 0.000 2.983 68 F HA 0.366 4.895 4.527 0.004 0.000 0.307 68 F C 0.621 176.554 175.800 0.223 0.000 1.218 68 F CA -0.979 57.127 58.000 0.176 0.000 1.323 68 F CB -0.808 38.324 39.000 0.220 0.000 0.989 68 F HN 0.085 nan 8.300 nan 0.000 0.509 69 E N 0.063 120.450 120.200 0.312 0.000 2.209 69 E HA -0.130 4.223 4.350 0.004 0.000 0.196 69 E C 1.781 178.507 176.600 0.209 0.000 0.993 69 E CA 1.252 57.857 56.400 0.341 0.000 0.819 69 E CB -0.378 29.544 29.700 0.369 0.000 0.745 69 E HN 0.600 nan 8.360 nan 0.000 0.477 70 G N 1.347 110.265 108.800 0.198 0.000 3.159 70 G HA2 0.009 3.971 3.960 0.004 0.000 0.232 70 G HA3 0.009 3.971 3.960 0.004 0.000 0.232 70 G C 0.204 175.171 174.900 0.112 0.000 1.116 70 G CA -0.502 44.674 45.100 0.127 0.000 0.767 70 G HN -0.003 nan 8.290 nan 0.000 0.547 71 K N 0.380 120.871 120.400 0.151 0.000 2.123 71 K HA 0.620 4.943 4.320 0.004 0.000 0.248 71 K C -1.040 175.523 176.600 -0.061 0.000 0.969 71 K CA -0.886 55.441 56.287 0.067 0.000 0.882 71 K CB 2.438 35.015 32.500 0.130 0.000 1.080 71 K HN -0.116 nan 8.250 nan 0.000 0.441 72 V N 0.549 120.381 119.914 -0.137 0.000 2.612 72 V HA 0.131 4.254 4.120 0.004 0.000 0.301 72 V C -0.369 175.476 176.094 -0.414 0.000 1.046 72 V CA -0.833 61.341 62.300 -0.211 0.000 0.946 72 V CB 1.510 33.263 31.823 -0.117 0.000 1.003 72 V HN 0.960 nan 8.190 nan 0.000 0.459 73 C N 5.467 124.496 119.300 -0.450 0.000 2.651 73 C HA 0.173 4.636 4.460 0.004 0.000 0.410 73 C C 1.759 176.572 174.990 -0.294 0.000 1.372 73 C CA 0.045 58.741 59.018 -0.538 0.000 1.707 73 C CB -0.640 26.892 27.740 -0.347 0.000 2.501 73 C HN 1.140 nan 8.230 nan 0.000 0.598 74 E N 1.786 121.831 120.200 -0.259 0.000 2.086 74 E HA -0.223 4.130 4.350 0.004 0.000 0.200 74 E C 1.919 178.470 176.600 -0.082 0.000 1.012 74 E CA 1.925 58.254 56.400 -0.118 0.000 0.812 74 E CB 0.067 29.737 29.700 -0.049 0.000 0.743 74 E HN 0.673 nan 8.360 nan 0.000 0.453 75 R N -1.228 119.228 120.500 -0.074 0.000 2.300 75 R HA 0.211 4.553 4.340 0.004 0.000 0.199 75 R C -0.099 176.168 176.300 -0.054 0.000 0.920 75 R CA 0.338 56.409 56.100 -0.048 0.000 1.046 75 R CB 0.454 30.738 30.300 -0.028 0.000 0.984 75 R HN 0.192 nan 8.270 nan 0.000 0.493 76 C N -1.310 117.942 119.300 -0.080 0.000 2.701 76 C HA 0.661 5.123 4.460 0.004 0.000 0.336 76 C C 0.437 175.373 174.990 -0.089 0.000 1.123 76 C CA -1.060 57.916 59.018 -0.070 0.000 1.326 76 C CB 1.201 28.907 27.740 -0.056 0.000 1.833 76 C HN 0.358 nan 8.230 nan 0.000 0.473 77 G N 3.463 112.224 108.800 -0.066 0.000 2.741 77 G HA2 0.514 4.477 3.960 0.004 0.000 0.301 77 G HA3 0.514 4.477 3.960 0.004 0.000 0.301 77 G C -0.481 174.389 174.900 -0.049 0.000 0.834 77 G CA -0.056 45.006 45.100 -0.063 0.000 1.683 77 G HN 1.244 nan 8.290 nan 0.000 0.506 78 V N 2.987 122.857 119.914 -0.073 0.000 2.439 78 V HA 0.233 4.356 4.120 0.004 0.000 0.277 78 V C -0.060 175.998 176.094 -0.059 0.000 1.008 78 V CA -0.975 61.295 62.300 -0.050 0.000 0.846 78 V CB 1.427 33.224 31.823 -0.043 0.000 1.031 78 V HN 0.674 nan 8.190 nan 0.000 0.441 79 E N 2.975 123.156 120.200 -0.032 0.000 2.283 79 E HA 0.628 4.981 4.350 0.004 0.000 0.278 79 E C -1.249 175.310 176.600 -0.069 0.000 1.027 79 E CA -0.175 56.207 56.400 -0.030 0.000 0.843 79 E CB 2.008 31.712 29.700 0.006 0.000 1.062 79 E HN 0.527 nan 8.360 nan 0.000 0.401 80 V N 2.139 121.982 119.914 -0.119 0.000 2.760 80 V HA 0.419 4.542 4.120 0.004 0.000 0.309 80 V C 0.058 175.808 176.094 -0.573 0.000 1.077 80 V CA -0.876 61.261 62.300 -0.272 0.000 0.910 80 V CB 1.762 33.439 31.823 -0.244 0.000 1.008 80 V HN 0.712 nan 8.190 nan 0.000 0.424 81 T N 1.241 115.484 114.554 -0.518 0.000 2.735 81 T HA 0.473 4.825 4.350 0.004 0.000 0.262 81 T C 0.152 174.600 174.700 -0.419 0.000 0.955 81 T CA -0.820 60.943 62.100 -0.561 0.000 1.022 81 T CB 1.119 69.839 68.868 -0.247 0.000 1.455 81 T HN 0.598 nan 8.240 nan 0.000 0.583 82 K N 0.654 120.951 120.400 -0.172 0.000 2.284 82 K HA 0.192 4.515 4.320 0.004 0.000 0.243 82 K C 1.437 177.956 176.600 -0.134 0.000 1.075 82 K CA -0.166 56.071 56.287 -0.082 0.000 0.868 82 K CB -0.085 32.400 32.500 -0.025 0.000 1.157 82 K HN 0.328 nan 8.250 nan 0.000 0.512 83 S N 0.987 116.638 115.700 -0.083 0.000 2.571 83 S HA -0.105 4.368 4.470 0.004 0.000 0.245 83 S C 1.628 176.147 174.600 -0.136 0.000 0.976 83 S CA 0.646 58.796 58.200 -0.083 0.000 0.954 83 S CB -0.830 62.344 63.200 -0.044 0.000 0.756 83 S HN 0.512 nan 8.310 nan 0.000 0.535 84 I N -0.733 119.705 120.570 -0.220 0.000 2.493 84 I HA -0.101 4.072 4.170 0.004 0.000 0.254 84 I C 1.774 177.597 176.117 -0.489 0.000 1.160 84 I CA 0.978 62.037 61.300 -0.401 0.000 1.445 84 I CB -0.620 37.041 38.000 -0.566 0.000 1.086 84 I HN 0.142 nan 8.210 nan 0.000 0.433 85 V N 0.743 120.458 119.914 -0.332 0.000 2.720 85 V HA -0.195 3.927 4.120 0.004 0.000 0.256 85 V C 2.766 178.780 176.094 -0.133 0.000 1.082 85 V CA 2.083 64.240 62.300 -0.239 0.000 1.101 85 V CB -1.563 30.158 31.823 -0.170 0.000 0.693 85 V HN 0.524 nan 8.190 nan 0.000 0.479 86 R N 1.344 121.789 120.500 -0.091 0.000 2.090 86 R HA -0.086 4.256 4.340 0.004 0.000 0.228 86 R C 2.450 178.781 176.300 0.051 0.000 1.110 86 R CA 1.668 57.776 56.100 0.013 0.000 0.973 86 R CB -0.311 30.001 30.300 0.020 0.000 0.869 86 R HN 0.488 nan 8.270 nan 0.000 0.440 87 R N -1.193 119.317 120.500 0.017 0.000 2.276 87 R HA 0.036 4.378 4.340 0.004 0.000 0.196 87 R C 0.971 177.438 176.300 0.279 0.000 0.961 87 R CA 0.799 56.959 56.100 0.101 0.000 1.024 87 R CB 0.087 30.442 30.300 0.090 0.000 0.940 87 R HN 0.412 nan 8.270 nan 0.000 0.480 88 Y N -0.513 119.757 120.300 -0.050 0.000 2.509 88 Y HA 0.244 4.797 4.550 0.004 0.000 0.270 88 Y C 0.526 176.376 175.900 -0.084 0.000 1.103 88 Y CA -0.695 57.367 58.100 -0.064 0.000 1.278 88 Y CB 0.517 38.932 38.460 -0.074 0.000 1.087 88 Y HN -0.156 nan 8.280 nan 0.000 0.542 89 R N 1.182 121.707 120.500 0.043 0.000 2.539 89 R HA 0.259 4.602 4.340 0.004 0.000 0.275 89 R C -0.361 176.073 176.300 0.223 0.000 1.077 89 R CA 0.244 56.277 56.100 -0.113 0.000 1.097 89 R CB 0.664 30.749 30.300 -0.358 0.000 1.018 89 R HN 0.043 nan 8.270 nan 0.000 0.483 90 M N 0.615 120.380 119.600 0.275 0.000 2.664 90 M HA 0.462 4.944 4.480 0.004 0.000 0.314 90 M C 0.237 176.780 176.300 0.406 0.000 1.200 90 M CA -0.748 54.806 55.300 0.423 0.000 0.916 90 M CB 2.377 35.204 32.600 0.378 0.000 1.717 90 M HN 0.742 nan 8.290 nan 0.000 0.470 91 G N 0.330 109.396 108.800 0.444 0.000 2.533 91 G HA2 0.703 4.666 3.960 0.004 0.000 0.304 91 G HA3 0.703 4.666 3.960 0.004 0.000 0.304 91 G C -1.563 173.475 174.900 0.229 0.000 1.263 91 G CA -0.452 44.721 45.100 0.122 0.000 0.964 91 G HN 0.879 nan 8.290 nan 0.000 0.479 92 H N -0.751 118.371 119.070 0.087 0.000 2.622 92 H HA 0.604 5.163 4.556 0.004 0.000 0.363 92 H C -1.333 174.032 175.328 0.063 0.000 1.151 92 H CA -1.040 55.066 56.048 0.097 0.000 1.184 92 H CB 2.175 31.965 29.762 0.047 0.000 1.643 92 H HN 0.297 nan 8.280 nan 0.000 0.531 93 I N 2.251 122.949 120.570 0.214 0.000 2.328 93 I HA 0.053 4.225 4.170 0.004 0.000 0.287 93 I C -0.047 176.165 176.117 0.158 0.000 1.012 93 I CA -0.659 60.723 61.300 0.137 0.000 1.195 93 I CB 1.498 39.580 38.000 0.136 0.000 1.350 93 I HN 0.539 nan 8.210 nan 0.000 0.464 94 E N 6.654 126.939 120.200 0.141 0.000 2.029 94 E HA 0.213 4.565 4.350 0.004 0.000 0.276 94 E C -0.683 175.957 176.600 0.066 0.000 1.163 94 E CA -0.094 56.374 56.400 0.113 0.000 0.909 94 E CB 0.481 30.241 29.700 0.101 0.000 1.046 94 E HN 0.466 nan 8.360 nan 0.000 0.406 95 L N 3.682 124.940 121.223 0.058 0.000 2.453 95 L HA 0.180 4.522 4.340 0.004 0.000 0.272 95 L C 1.145 178.033 176.870 0.029 0.000 1.182 95 L CA -0.042 54.823 54.840 0.041 0.000 0.858 95 L CB 0.777 42.859 42.059 0.037 0.000 1.120 95 L HN 0.788 nan 8.230 nan 0.000 0.474 96 A N 3.549 126.383 122.820 0.024 0.000 1.836 96 A HA -0.085 4.238 4.320 0.004 0.000 0.212 96 A C 0.971 178.563 177.584 0.013 0.000 1.243 96 A CA 1.245 53.293 52.037 0.017 0.000 0.620 96 A CB -0.542 18.467 19.000 0.016 0.000 0.889 96 A HN 0.655 nan 8.150 nan 0.000 0.463 97 T N 1.856 116.416 114.554 0.010 0.000 2.771 97 T HA 0.490 4.843 4.350 0.004 0.000 0.291 97 T C -2.470 172.231 174.700 0.002 0.000 0.954 97 T CA -1.098 61.003 62.100 0.003 0.000 1.045 97 T CB 0.850 69.718 68.868 0.000 0.000 0.917 97 T HN 0.124 nan 8.240 nan 0.000 0.484 98 P HA 0.197 nan 4.420 nan 0.000 0.271 98 P C -1.214 176.079 177.300 -0.011 0.000 1.197 98 P CA 0.092 63.191 63.100 -0.002 0.000 0.777 98 P CB 0.432 32.126 31.700 -0.010 0.000 0.827 99 A N 0.500 123.318 122.820 -0.002 0.000 2.594 99 A HA 0.802 5.125 4.320 0.004 0.000 0.291 99 A C -1.344 176.247 177.584 0.013 0.000 1.105 99 A CA -0.213 51.825 52.037 0.001 0.000 0.694 99 A CB 1.562 20.578 19.000 0.026 0.000 1.291 99 A HN 0.526 nan 8.150 nan 0.000 0.410 100 A N 0.070 122.908 122.820 0.030 0.000 2.350 100 A HA 0.703 5.026 4.320 0.004 0.000 0.318 100 A C -0.469 177.174 177.584 0.098 0.000 1.132 100 A CA -0.577 51.516 52.037 0.093 0.000 0.811 100 A CB 0.533 19.609 19.000 0.127 0.000 1.313 100 A HN 0.942 nan 8.150 nan 0.000 0.454 101 H N 1.119 120.184 119.070 -0.008 0.000 3.004 101 H HA 0.073 4.632 4.556 0.004 0.000 0.316 101 H C 0.935 176.185 175.328 -0.130 0.000 1.014 101 H CA 0.757 56.671 56.048 -0.224 0.000 1.454 101 H CB 0.942 30.211 29.762 -0.821 0.000 1.472 101 H HN 0.620 nan 8.280 nan 0.000 0.571 102 I N 4.672 125.325 120.570 0.138 0.000 2.928 102 I HA -0.205 3.968 4.170 0.004 0.000 0.266 102 I C 1.372 177.633 176.117 0.241 0.000 1.234 102 I CA 0.207 61.611 61.300 0.174 0.000 1.483 102 I CB -0.008 38.068 38.000 0.127 0.000 1.097 102 I HN 0.590 nan 8.210 nan 0.000 0.455 103 W N 0.760 122.061 121.300 0.002 0.000 2.465 103 W HA -0.110 4.553 4.660 0.004 0.000 0.268 103 W C 1.761 178.307 176.519 0.045 0.000 1.242 103 W CA 1.139 58.413 57.345 -0.118 0.000 1.248 103 W CB -0.489 28.711 29.460 -0.433 0.000 1.118 103 W HN 0.170 nan 8.180 nan 0.000 0.587 104 F N -2.492 117.580 119.950 0.203 0.000 2.694 104 F HA -0.013 4.516 4.527 0.004 0.000 0.292 104 F C 1.778 177.627 175.800 0.081 0.000 1.121 104 F CA -0.004 58.036 58.000 0.066 0.000 1.352 104 F CB -0.345 38.701 39.000 0.076 0.000 1.107 104 F HN -0.408 nan 8.300 nan 0.000 0.597 105 V N -0.567 119.505 119.914 0.263 0.000 2.685 105 V HA -0.028 4.095 4.120 0.004 0.000 0.244 105 V C 1.978 178.103 176.094 0.052 0.000 1.054 105 V CA 1.143 63.516 62.300 0.120 0.000 1.076 105 V CB -0.179 31.696 31.823 0.087 0.000 0.725 105 V HN 0.056 nan 8.190 nan 0.000 0.467 106 K N 0.286 120.753 120.400 0.112 0.000 2.374 106 K HA 0.157 4.479 4.320 0.004 0.000 0.196 106 K C -0.031 176.633 176.600 0.107 0.000 1.023 106 K CA -0.035 56.309 56.287 0.095 0.000 1.103 106 K CB -0.216 32.359 32.500 0.126 0.000 0.848 106 K HN 0.433 nan 8.250 nan 0.000 0.528 107 D N -0.166 120.307 120.400 0.121 0.000 2.424 107 D HA -0.035 4.608 4.640 0.004 0.000 0.244 107 D C 1.542 177.890 176.300 0.080 0.000 1.134 107 D CA 0.010 54.075 54.000 0.108 0.000 0.881 107 D CB 1.216 42.055 40.800 0.066 0.000 1.191 107 D HN -0.265 nan 8.370 nan 0.000 0.445 108 V N 3.824 123.789 119.914 0.085 0.000 2.233 108 V HA -0.212 3.911 4.120 0.004 0.000 0.256 108 V C -1.409 174.712 176.094 0.045 0.000 1.069 108 V CA 1.611 63.945 62.300 0.057 0.000 1.054 108 V CB -1.726 30.127 31.823 0.049 0.000 0.664 108 V HN 0.734 nan 8.190 nan 0.000 0.453 109 P HA 0.280 nan 4.420 nan 0.000 0.288 109 P C -0.602 176.707 177.300 0.014 0.000 1.363 109 P CA 0.130 63.249 63.100 0.032 0.000 0.837 109 P CB 0.851 32.578 31.700 0.046 0.000 0.981 110 S N 3.389 119.093 115.700 0.006 0.000 2.507 110 S HA 0.007 4.479 4.470 0.004 0.000 0.299 110 S C 1.458 176.066 174.600 0.014 0.000 1.214 110 S CA 0.018 58.223 58.200 0.009 0.000 1.137 110 S CB 0.052 63.239 63.200 -0.022 0.000 1.009 110 S HN 0.238 nan 8.310 nan 0.000 0.512 111 K N 2.723 123.132 120.400 0.015 0.000 2.281 111 K HA -0.068 4.255 4.320 0.004 0.000 0.203 111 K C 1.509 178.141 176.600 0.052 0.000 1.046 111 K CA 0.803 57.084 56.287 -0.010 0.000 0.938 111 K CB -0.139 32.310 32.500 -0.084 0.000 0.737 111 K HN 0.684 nan 8.250 nan 0.000 0.458 112 I N -1.901 118.723 120.570 0.090 0.000 3.228 112 I HA 0.148 4.320 4.170 0.004 0.000 0.279 112 I C 1.501 177.662 176.117 0.074 0.000 1.221 112 I CA 0.824 62.191 61.300 0.112 0.000 1.458 112 I CB 0.242 38.360 38.000 0.196 0.000 1.105 112 I HN 0.022 nan 8.210 nan 0.000 0.445 113 G N -0.534 108.288 108.800 0.037 0.000 2.539 113 G HA2 -0.072 3.891 3.960 0.004 0.000 0.215 113 G HA3 -0.072 3.891 3.960 0.004 0.000 0.215 113 G C 1.411 176.314 174.900 0.007 0.000 1.141 113 G CA 0.872 45.977 45.100 0.008 0.000 0.806 113 G HN 0.361 nan 8.290 nan 0.000 0.533 114 T N 0.857 115.417 114.554 0.010 0.000 2.894 114 T HA -0.002 4.350 4.350 0.004 0.000 0.258 114 T C 2.191 176.900 174.700 0.016 0.000 1.043 114 T CA 0.769 62.872 62.100 0.006 0.000 1.141 114 T CB -0.061 68.806 68.868 -0.001 0.000 0.873 114 T HN 0.122 nan 8.240 nan 0.000 0.449 115 L N 0.398 121.642 121.223 0.035 0.000 2.072 115 L HA 0.321 4.663 4.340 0.004 0.000 0.205 115 L C 0.675 177.556 176.870 0.019 0.000 1.079 115 L CA 1.374 56.244 54.840 0.050 0.000 0.752 115 L CB -0.178 41.947 42.059 0.110 0.000 0.906 115 L HN 0.185 nan 8.230 nan 0.000 0.436 116 L N 0.942 122.176 121.223 0.018 0.000 2.257 116 L HA 0.199 4.542 4.340 0.004 0.000 0.290 116 L C -0.669 176.204 176.870 0.005 0.000 1.044 116 L CA -0.477 54.366 54.840 0.005 0.000 0.810 116 L CB 0.735 42.803 42.059 0.015 0.000 1.193 116 L HN 0.056 nan 8.230 nan 0.000 0.425 117 D N 5.696 126.093 120.400 -0.005 0.000 2.398 117 D HA 0.304 4.947 4.640 0.004 0.000 0.250 117 D C -0.513 175.783 176.300 -0.008 0.000 1.287 117 D CA 0.432 54.428 54.000 -0.007 0.000 0.992 117 D CB 0.045 40.838 40.800 -0.011 0.000 1.071 117 D HN 0.280 nan 8.370 nan 0.000 0.514 118 L N 0.342 121.561 121.223 -0.007 0.000 2.303 118 L HA 0.435 4.778 4.340 0.004 0.000 0.256 118 L C 0.470 177.326 176.870 -0.024 0.000 1.034 118 L CA -1.267 53.566 54.840 -0.012 0.000 0.832 118 L CB 1.460 43.521 42.059 0.003 0.000 1.403 118 L HN -0.153 nan 8.230 nan 0.000 0.419 119 S N 1.160 116.838 115.700 -0.036 0.000 2.519 119 S HA 0.082 4.554 4.470 0.004 0.000 0.310 119 S C 1.270 175.840 174.600 -0.050 0.000 1.201 119 S CA 0.209 58.384 58.200 -0.041 0.000 1.179 119 S CB 0.802 63.972 63.200 -0.050 0.000 1.104 119 S HN 0.738 nan 8.310 nan 0.000 0.527 120 A N 4.488 127.285 122.820 -0.037 0.000 1.942 120 A HA -0.319 4.004 4.320 0.004 0.000 0.227 120 A C 2.209 179.756 177.584 -0.061 0.000 1.445 120 A CA 2.841 54.855 52.037 -0.038 0.000 0.704 120 A CB -1.339 17.648 19.000 -0.023 0.000 0.841 120 A HN 0.784 nan 8.150 nan 0.000 0.495 121 T N -4.281 110.238 114.554 -0.059 0.000 2.964 121 T HA 0.255 4.608 4.350 0.004 0.000 0.249 121 T C 1.557 176.204 174.700 -0.089 0.000 1.000 121 T CA 0.783 62.839 62.100 -0.073 0.000 0.992 121 T CB 0.331 69.177 68.868 -0.037 0.000 1.087 121 T HN 0.613 nan 8.240 nan 0.000 0.489 122 E N 0.435 120.591 120.200 -0.074 0.000 2.201 122 E HA 0.176 4.529 4.350 0.004 0.000 0.193 122 E C 1.902 178.443 176.600 -0.100 0.000 0.957 122 E CA 0.020 56.377 56.400 -0.072 0.000 0.858 122 E CB 0.065 29.735 29.700 -0.049 0.000 0.816 122 E HN 0.206 nan 8.360 nan 0.000 0.475 123 L N 1.914 123.078 121.223 -0.099 0.000 2.083 123 L HA -0.181 4.162 4.340 0.004 0.000 0.209 123 L C 2.037 178.846 176.870 -0.102 0.000 1.083 123 L CA 1.589 56.365 54.840 -0.106 0.000 0.752 123 L CB -0.197 41.818 42.059 -0.073 0.000 0.899 123 L HN 0.144 nan 8.230 nan 0.000 0.433 124 E N -0.844 119.254 120.200 -0.170 0.000 2.001 124 E HA -0.332 4.021 4.350 0.004 0.000 0.195 124 E C 2.023 178.389 176.600 -0.391 0.000 1.002 124 E CA 1.483 57.641 56.400 -0.403 0.000 0.819 124 E CB -0.579 28.649 29.700 -0.786 0.000 0.769 124 E HN 0.455 nan 8.360 nan 0.000 0.454 125 Q N 1.554 121.137 119.800 -0.362 0.000 2.217 125 Q HA -0.164 4.179 4.340 0.004 0.000 0.209 125 Q C 2.053 178.064 176.000 0.018 0.000 0.988 125 Q CA 1.410 57.119 55.803 -0.156 0.000 0.878 125 Q CB -0.458 28.267 28.738 -0.021 0.000 0.909 125 Q HN 0.126 nan 8.270 nan 0.000 0.424 126 V N 0.147 120.040 119.914 -0.036 0.000 2.237 126 V HA -0.249 3.874 4.120 0.004 0.000 0.245 126 V C 2.116 178.271 176.094 0.102 0.000 1.046 126 V CA 2.019 64.279 62.300 -0.066 0.000 1.007 126 V CB -0.712 30.915 31.823 -0.325 0.000 0.638 126 V HN 0.647 nan 8.190 nan 0.000 0.445 127 L N -2.959 118.334 121.223 0.118 0.000 2.307 127 L HA 0.149 4.492 4.340 0.004 0.000 0.211 127 L C 2.264 179.327 176.870 0.322 0.000 1.099 127 L CA 1.277 56.363 54.840 0.411 0.000 0.816 127 L CB -1.430 40.795 42.059 0.277 0.000 0.952 127 L HN 0.172 nan 8.230 nan 0.000 0.455 128 Y N 0.632 120.898 120.300 -0.057 0.000 2.049 128 Y HA -0.155 4.398 4.550 0.004 0.000 0.277 128 Y C 2.307 178.120 175.900 -0.145 0.000 1.143 128 Y CA 2.074 60.038 58.100 -0.227 0.000 1.115 128 Y CB -0.981 37.127 38.460 -0.588 0.000 0.975 128 Y HN 0.140 nan 8.280 nan 0.000 0.487 129 F N -2.183 117.936 119.950 0.282 0.000 2.473 129 F HA 0.050 4.579 4.527 0.004 0.000 0.294 129 F C 1.955 177.841 175.800 0.143 0.000 1.103 129 F CA 0.347 58.448 58.000 0.168 0.000 1.442 129 F CB -0.070 39.009 39.000 0.132 0.000 1.097 129 F HN -0.111 nan 8.300 nan 0.000 0.547 130 S N -0.209 115.711 115.700 0.367 0.000 2.397 130 S HA 0.349 4.822 4.470 0.004 0.000 0.261 130 S C -0.265 174.389 174.600 0.090 0.000 1.151 130 S CA -0.531 57.827 58.200 0.263 0.000 1.022 130 S CB 0.750 64.181 63.200 0.385 0.000 1.187 130 S HN -0.023 nan 8.310 nan 0.000 0.473 131 K N 1.011 121.204 120.400 -0.345 0.000 2.464 131 K HA 0.437 4.760 4.320 0.004 0.000 0.252 131 K C -2.149 173.740 176.600 -1.185 0.000 1.000 131 K CA -0.234 55.713 56.287 -0.566 0.000 0.951 131 K CB 0.628 32.877 32.500 -0.417 0.000 1.183 131 K HN 0.525 nan 8.250 nan 0.000 0.445 132 Y N 3.380 123.694 120.300 0.023 0.000 2.264 132 Y HA 0.287 4.840 4.550 0.004 0.000 0.321 132 Y C -0.402 175.486 175.900 -0.020 0.000 1.199 132 Y CA -1.004 57.102 58.100 0.011 0.000 1.175 132 Y CB 0.279 38.752 38.460 0.021 0.000 1.213 132 Y HN 0.258 nan 8.280 nan 0.000 0.414 133 I N 3.842 124.431 120.570 0.032 0.000 2.612 133 I HA 0.657 4.830 4.170 0.004 0.000 0.295 133 I C 0.109 176.185 176.117 -0.067 0.000 1.011 133 I CA -1.328 59.941 61.300 -0.052 0.000 1.326 133 I CB 1.101 39.023 38.000 -0.130 0.000 1.427 133 I HN 0.388 nan 8.210 nan 0.000 0.537 134 V N 3.268 123.120 119.914 -0.103 0.000 2.735 134 V HA 0.542 4.665 4.120 0.004 0.000 0.310 134 V C -0.671 175.346 176.094 -0.129 0.000 1.061 134 V CA -0.937 61.306 62.300 -0.095 0.000 0.913 134 V CB 1.822 33.603 31.823 -0.071 0.000 1.005 134 V HN 0.597 nan 8.190 nan 0.000 0.428 135 L N 3.003 124.161 121.223 -0.109 0.000 2.281 135 L HA 0.417 4.759 4.340 0.004 0.000 0.285 135 L C 0.770 177.591 176.870 -0.081 0.000 1.074 135 L CA 0.079 54.856 54.840 -0.104 0.000 0.817 135 L CB 1.109 43.120 42.059 -0.081 0.000 1.168 135 L HN 0.832 nan 8.230 nan 0.000 0.434 136 D N 3.851 124.202 120.400 -0.082 0.000 2.191 136 D HA 0.031 4.673 4.640 0.004 0.000 0.221 136 D C -1.077 175.189 176.300 -0.056 0.000 1.006 136 D CA 1.149 55.108 54.000 -0.068 0.000 0.910 136 D CB -0.406 40.353 40.800 -0.068 0.000 1.031 136 D HN 0.349 nan 8.370 nan 0.000 0.447 137 P HA 0.152 nan 4.420 nan 0.000 0.206 137 P C -0.553 176.724 177.300 -0.038 0.000 1.136 137 P CA 0.765 63.840 63.100 -0.042 0.000 0.905 137 P CB 0.385 32.063 31.700 -0.038 0.000 0.754 138 K N -0.829 119.547 120.400 -0.039 0.000 2.464 138 K HA 0.741 5.063 4.320 0.004 0.000 0.253 138 K C -1.025 175.552 176.600 -0.037 0.000 0.933 138 K CA -0.953 55.314 56.287 -0.032 0.000 0.801 138 K CB 2.054 34.546 32.500 -0.013 0.000 1.271 138 K HN 0.053 nan 8.250 nan 0.000 0.430 139 G N 1.163 109.944 108.800 -0.031 0.000 3.582 139 G HA2 0.431 4.394 3.960 0.004 0.000 0.302 139 G HA3 0.431 4.394 3.960 0.004 0.000 0.302 139 G C 0.515 175.399 174.900 -0.027 0.000 1.418 139 G CA -0.190 44.899 45.100 -0.018 0.000 0.718 139 G HN 0.730 nan 8.290 nan 0.000 0.479 140 A N 1.569 124.350 122.820 -0.066 0.000 1.971 140 A HA -0.089 4.233 4.320 0.004 0.000 0.222 140 A C 1.362 178.866 177.584 -0.133 0.000 1.182 140 A CA 1.115 53.010 52.037 -0.237 0.000 0.649 140 A CB -0.169 18.348 19.000 -0.805 0.000 0.818 140 A HN 0.681 nan 8.150 nan 0.000 0.458 141 I N 0.033 120.579 120.570 -0.040 0.000 2.720 141 I HA 0.355 4.528 4.170 0.004 0.000 0.287 141 I C 0.178 176.305 176.117 0.017 0.000 1.090 141 I CA -1.198 60.113 61.300 0.017 0.000 1.384 141 I CB 0.862 38.904 38.000 0.070 0.000 1.420 141 I HN 0.354 nan 8.210 nan 0.000 0.575 142 L N 5.157 126.396 121.223 0.027 0.000 2.439 142 L HA 0.550 4.893 4.340 0.004 0.000 0.259 142 L C 0.769 177.657 176.870 0.029 0.000 1.129 142 L CA -0.076 54.779 54.840 0.024 0.000 0.803 142 L CB 0.018 42.093 42.059 0.027 0.000 1.161 142 L HN 0.655 nan 8.230 nan 0.000 0.462 143 N N -0.853 117.862 118.700 0.026 0.000 2.332 143 N HA 0.239 4.982 4.740 0.004 0.000 0.190 143 N C 0.919 176.446 175.510 0.027 0.000 1.117 143 N CA 0.747 53.814 53.050 0.028 0.000 0.883 143 N CB 1.541 40.043 38.487 0.025 0.000 1.089 143 N HN 0.919 nan 8.380 nan 0.000 0.480 144 G N 0.029 108.843 108.800 0.024 0.000 3.617 144 G HA2 -0.002 3.960 3.960 0.004 0.000 0.217 144 G HA3 -0.002 3.960 3.960 0.004 0.000 0.217 144 G C -0.672 174.239 174.900 0.019 0.000 0.967 144 G CA 0.179 45.292 45.100 0.023 0.000 0.878 144 G HN 0.197 nan 8.290 nan 0.000 0.439 145 V N 2.570 122.494 119.914 0.016 0.000 3.103 145 V HA 0.767 4.889 4.120 0.004 0.000 0.318 145 V C -1.890 174.208 176.094 0.007 0.000 1.114 145 V CA -2.183 60.124 62.300 0.011 0.000 1.020 145 V CB 2.376 34.205 31.823 0.009 0.000 1.085 145 V HN 0.114 nan 8.190 nan 0.000 0.446 146 P HA -0.006 nan 4.420 nan 0.000 0.271 146 P C -0.194 177.101 177.300 -0.008 0.000 1.233 146 P CA 0.341 63.439 63.100 -0.004 0.000 0.795 146 P CB 0.364 32.060 31.700 -0.006 0.000 0.936 147 V N 0.989 120.893 119.914 -0.017 0.000 2.644 147 V HA -0.111 4.011 4.120 0.004 0.000 0.305 147 V C 0.166 176.248 176.094 -0.019 0.000 1.053 147 V CA 0.381 62.669 62.300 -0.020 0.000 1.186 147 V CB -0.679 31.125 31.823 -0.031 0.000 0.895 147 V HN 0.379 nan 8.190 nan 0.000 0.490 148 E N 5.625 125.813 120.200 -0.020 0.000 2.070 148 E HA 0.233 4.585 4.350 0.004 0.000 0.282 148 E C 0.715 177.297 176.600 -0.030 0.000 1.104 148 E CA -0.168 56.219 56.400 -0.021 0.000 0.876 148 E CB 1.084 30.773 29.700 -0.018 0.000 1.055 148 E HN 0.741 nan 8.360 nan 0.000 0.401 149 K N 2.346 122.729 120.400 -0.028 0.000 2.044 149 K HA -0.157 4.166 4.320 0.004 0.000 0.210 149 K C 1.081 177.657 176.600 -0.039 0.000 1.049 149 K CA 1.553 57.820 56.287 -0.033 0.000 0.927 149 K CB 0.036 32.518 32.500 -0.029 0.000 0.713 149 K HN 0.218 nan 8.250 nan 0.000 0.443 150 R N -0.427 120.051 120.500 -0.036 0.000 2.517 150 R HA 0.191 4.533 4.340 0.004 0.000 0.265 150 R C 0.159 176.438 176.300 -0.035 0.000 0.921 150 R CA -0.226 55.850 56.100 -0.040 0.000 1.054 150 R CB 0.503 30.781 30.300 -0.038 0.000 1.340 150 R HN 0.142 nan 8.270 nan 0.000 0.551 151 Q N 1.596 121.379 119.800 -0.028 0.000 2.492 151 Q HA 0.234 4.577 4.340 0.004 0.000 0.238 151 Q C -0.165 175.821 176.000 -0.023 0.000 1.045 151 Q CA 0.097 55.888 55.803 -0.020 0.000 0.934 151 Q CB 0.746 29.476 28.738 -0.013 0.000 1.276 151 Q HN 0.180 nan 8.270 nan 0.000 0.521 152 L N 0.574 121.792 121.223 -0.009 0.000 2.325 152 L HA 0.749 5.091 4.340 0.004 0.000 0.278 152 L C -1.040 175.839 176.870 0.014 0.000 1.023 152 L CA -1.003 53.834 54.840 -0.004 0.000 0.811 152 L CB 0.819 42.891 42.059 0.021 0.000 1.249 152 L HN 0.639 nan 8.230 nan 0.000 0.431 153 L N 0.730 121.951 121.223 -0.002 0.000 2.354 153 L HA 0.660 5.002 4.340 0.004 0.000 0.264 153 L C -0.057 176.832 176.870 0.031 0.000 1.008 153 L CA -0.433 54.420 54.840 0.021 0.000 0.819 153 L CB 2.105 44.171 42.059 0.012 0.000 1.339 153 L HN 0.740 nan 8.230 nan 0.000 0.420 154 T N -0.433 114.157 114.554 0.060 0.000 2.868 154 T HA 0.123 4.475 4.350 0.004 0.000 0.292 154 T C 0.640 175.402 174.700 0.103 0.000 1.028 154 T CA 0.330 62.463 62.100 0.055 0.000 1.059 154 T CB 0.808 69.705 68.868 0.048 0.000 0.991 154 T HN 0.885 nan 8.240 nan 0.000 0.531 155 D N 1.017 121.472 120.400 0.092 0.000 2.221 155 D HA -0.087 4.556 4.640 0.004 0.000 0.204 155 D C 1.895 178.252 176.300 0.095 0.000 0.982 155 D CA 1.009 55.100 54.000 0.152 0.000 0.857 155 D CB 0.273 41.123 40.800 0.085 0.000 0.934 155 D HN 0.545 nan 8.370 nan 0.000 0.475 156 E N 0.665 120.902 120.200 0.061 0.000 2.033 156 E HA -0.116 4.237 4.350 0.004 0.000 0.189 156 E C 1.885 178.506 176.600 0.036 0.000 0.979 156 E CA 0.808 57.231 56.400 0.038 0.000 0.802 156 E CB -0.495 29.224 29.700 0.031 0.000 0.763 156 E HN 0.406 nan 8.360 nan 0.000 0.449 157 E N -0.006 120.229 120.200 0.058 0.000 2.274 157 E HA -0.128 4.224 4.350 0.004 0.000 0.194 157 E C 1.676 178.321 176.600 0.075 0.000 0.996 157 E CA 0.437 56.870 56.400 0.055 0.000 0.840 157 E CB -0.129 29.607 29.700 0.059 0.000 0.772 157 E HN 0.215 nan 8.360 nan 0.000 0.491 158 Y N 0.946 121.218 120.300 -0.048 0.000 2.365 158 Y HA 0.085 4.637 4.550 0.004 0.000 0.293 158 Y C 1.804 177.611 175.900 -0.155 0.000 1.119 158 Y CA 0.967 59.017 58.100 -0.083 0.000 1.203 158 Y CB 0.091 38.512 38.460 -0.065 0.000 1.026 158 Y HN -0.218 nan 8.280 nan 0.000 0.549 159 R N 0.246 120.545 120.500 -0.334 0.000 2.075 159 R HA -0.149 4.194 4.340 0.004 0.000 0.232 159 R C 2.032 178.069 176.300 -0.439 0.000 1.126 159 R CA 1.644 57.465 56.100 -0.464 0.000 0.963 159 R CB -0.108 30.144 30.300 -0.081 0.000 0.858 159 R HN 0.339 nan 8.270 nan 0.000 0.435 160 E N 0.781 120.885 120.200 -0.161 0.000 2.021 160 E HA -0.241 4.111 4.350 0.004 0.000 0.200 160 E C 1.865 178.381 176.600 -0.140 0.000 1.015 160 E CA 1.647 58.006 56.400 -0.069 0.000 0.824 160 E CB -0.272 29.424 29.700 -0.007 0.000 0.762 160 E HN 0.215 nan 8.360 nan 0.000 0.454 161 L N 0.888 122.029 121.223 -0.138 0.000 1.941 161 L HA -0.331 4.011 4.340 0.004 0.000 0.224 161 L C 2.455 179.215 176.870 -0.185 0.000 1.081 161 L CA 2.513 57.295 54.840 -0.095 0.000 0.784 161 L CB -0.440 41.613 42.059 -0.010 0.000 0.894 161 L HN 0.026 nan 8.230 nan 0.000 0.436 162 R N -0.590 119.694 120.500 -0.359 0.000 2.134 162 R HA -0.267 4.075 4.340 0.004 0.000 0.248 162 R C 1.926 178.067 176.300 -0.266 0.000 1.143 162 R CA 2.682 58.566 56.100 -0.361 0.000 0.957 162 R CB -1.134 28.827 30.300 -0.564 0.000 0.867 162 R HN 0.756 nan 8.270 nan 0.000 0.441 163 Y N -0.945 119.327 120.300 -0.046 0.000 2.490 163 Y HA 0.406 4.959 4.550 0.004 0.000 0.281 163 Y C 1.380 177.288 175.900 0.014 0.000 1.174 163 Y CA -0.187 57.903 58.100 -0.017 0.000 1.295 163 Y CB 0.127 38.570 38.460 -0.029 0.000 1.062 163 Y HN 0.431 nan 8.280 nan 0.000 0.522 164 G N 0.699 109.555 108.800 0.093 0.000 2.501 164 G HA2 -0.225 3.737 3.960 0.004 0.000 0.213 164 G HA3 -0.225 3.737 3.960 0.004 0.000 0.213 164 G C -0.823 174.133 174.900 0.093 0.000 1.158 164 G CA -0.781 44.378 45.100 0.097 0.000 1.079 164 G HN 0.051 nan 8.290 nan 0.000 0.586 165 K N 2.029 122.492 120.400 0.105 0.000 2.598 165 K HA 0.435 4.757 4.320 0.004 0.000 0.226 165 K C 0.278 176.952 176.600 0.124 0.000 1.156 165 K CA -0.045 56.303 56.287 0.102 0.000 1.122 165 K CB 0.420 32.974 32.500 0.090 0.000 1.739 165 K HN 0.440 nan 8.250 nan 0.000 0.472 166 Q N 1.319 121.216 119.800 0.161 0.000 2.295 166 Q HA 0.172 4.514 4.340 0.004 0.000 0.259 166 Q C -0.594 175.448 176.000 0.070 0.000 0.976 166 Q CA 0.262 56.145 55.803 0.134 0.000 0.923 166 Q CB 1.324 30.157 28.738 0.158 0.000 1.185 166 Q HN 0.301 nan 8.270 nan 0.000 0.410 167 E N 1.977 122.183 120.200 0.010 0.000 2.287 167 E HA 0.222 4.574 4.350 0.004 0.000 0.274 167 E C -1.256 175.179 176.600 -0.275 0.000 0.896 167 E CA -0.260 56.044 56.400 -0.160 0.000 0.788 167 E CB 2.052 31.630 29.700 -0.204 0.000 1.244 167 E HN 0.414 nan 8.360 nan 0.000 0.408 168 T N 2.385 116.757 114.554 -0.304 0.000 2.909 168 T HA 0.390 4.742 4.350 0.004 0.000 0.286 168 T C -0.896 173.555 174.700 -0.415 0.000 1.002 168 T CA -0.064 61.911 62.100 -0.208 0.000 1.074 168 T CB 0.244 69.053 68.868 -0.099 0.000 0.984 168 T HN 0.211 nan 8.240 nan 0.000 0.495 169 Y N 2.397 122.677 120.300 -0.032 0.000 2.363 169 Y HA 0.362 4.915 4.550 0.004 0.000 0.325 169 Y C -2.350 173.525 175.900 -0.042 0.000 0.984 169 Y CA -2.727 55.352 58.100 -0.034 0.000 1.248 169 Y CB 0.917 39.352 38.460 -0.041 0.000 1.116 169 Y HN 0.455 nan 8.280 nan 0.000 0.470 170 P HA 0.208 nan 4.420 nan 0.000 0.272 170 P C -0.802 176.523 177.300 0.041 0.000 1.230 170 P CA -0.066 63.059 63.100 0.042 0.000 0.788 170 P CB 0.886 32.597 31.700 0.019 0.000 0.949 171 L N 3.308 124.542 121.223 0.019 0.000 2.381 171 L HA 0.453 4.796 4.340 0.004 0.000 0.274 171 L C -2.114 174.762 176.870 0.009 0.000 0.988 171 L CA -2.304 52.539 54.840 0.006 0.000 0.824 171 L CB 1.933 43.980 42.059 -0.021 0.000 1.263 171 L HN 0.256 nan 8.230 nan 0.000 0.410 172 P HA 0.113 nan 4.420 nan 0.000 0.268 172 P C -2.521 174.786 177.300 0.011 0.000 1.204 172 P CA -0.960 62.146 63.100 0.009 0.000 0.768 172 P CB -0.232 31.473 31.700 0.009 0.000 0.842 173 P HA -0.119 nan 4.420 nan 0.000 0.263 173 P C 0.962 178.271 177.300 0.015 0.000 1.168 173 P CA 1.224 64.332 63.100 0.013 0.000 0.759 173 P CB -0.086 31.620 31.700 0.009 0.000 0.782 174 G N 1.103 109.915 108.800 0.020 0.000 2.184 174 G HA2 -0.214 3.749 3.960 0.004 0.000 0.264 174 G HA3 -0.214 3.749 3.960 0.004 0.000 0.264 174 G C -0.007 174.906 174.900 0.021 0.000 0.975 174 G CA 0.042 45.155 45.100 0.020 0.000 0.642 174 G HN 0.587 nan 8.290 nan 0.000 0.536 175 V N 0.775 120.701 119.914 0.020 0.000 2.439 175 V HA 0.520 4.642 4.120 0.004 0.000 0.282 175 V C 0.280 176.389 176.094 0.024 0.000 1.039 175 V CA -0.221 62.089 62.300 0.017 0.000 0.913 175 V CB 1.720 33.548 31.823 0.009 0.000 0.983 175 V HN 0.403 nan 8.190 nan 0.000 0.460 176 D N 3.225 123.643 120.400 0.030 0.000 2.210 176 D HA 0.610 5.252 4.640 0.004 0.000 0.249 176 D C 0.153 176.477 176.300 0.040 0.000 1.062 176 D CA -0.112 53.919 54.000 0.050 0.000 0.891 176 D CB 1.590 42.420 40.800 0.050 0.000 1.186 176 D HN 0.788 nan 8.370 nan 0.000 0.432 177 A N 2.971 125.831 122.820 0.068 0.000 2.271 177 A HA 0.406 4.729 4.320 0.004 0.000 0.288 177 A C 0.402 178.026 177.584 0.066 0.000 1.094 177 A CA -0.486 51.575 52.037 0.040 0.000 0.828 177 A CB 0.497 19.502 19.000 0.008 0.000 1.091 177 A HN 0.735 nan 8.150 nan 0.000 0.493 178 L N 0.951 122.193 121.223 0.031 0.000 2.791 178 L HA 0.262 4.604 4.340 0.004 0.000 0.239 178 L C -0.797 176.092 176.870 0.032 0.000 1.203 178 L CA 0.117 54.971 54.840 0.025 0.000 1.002 178 L CB -0.077 41.982 42.059 -0.000 0.000 1.295 178 L HN 0.374 nan 8.230 nan 0.000 0.504 179 V N -0.749 119.212 119.914 0.078 0.000 3.049 179 V HA 0.395 4.518 4.120 0.004 0.000 0.309 179 V C -0.406 175.787 176.094 0.164 0.000 1.148 179 V CA -1.120 61.233 62.300 0.087 0.000 0.990 179 V CB 2.829 34.688 31.823 0.059 0.000 1.039 179 V HN -0.025 nan 8.190 nan 0.000 0.430 180 K N 1.256 121.698 120.400 0.069 0.000 2.126 180 K HA 0.270 4.593 4.320 0.004 0.000 0.257 180 K C 0.914 177.490 176.600 -0.040 0.000 1.007 180 K CA -0.470 55.797 56.287 -0.033 0.000 0.928 180 K CB 0.752 33.212 32.500 -0.067 0.000 1.013 180 K HN 0.691 nan 8.250 nan 0.000 0.473 181 D N 1.211 121.386 120.400 -0.374 0.000 2.242 181 D HA -0.194 4.449 4.640 0.004 0.000 0.190 181 D C 0.714 177.008 176.300 -0.009 0.000 1.012 181 D CA 1.834 55.600 54.000 -0.391 0.000 0.875 181 D CB 0.210 40.780 40.800 -0.384 0.000 0.922 181 D HN 0.789 nan 8.370 nan 0.000 0.448 182 G N 0.221 109.004 108.800 -0.028 0.000 4.683 182 G HA2 0.116 4.078 3.960 0.004 0.000 0.273 182 G HA3 0.116 4.078 3.960 0.004 0.000 0.273 182 G C -0.157 174.744 174.900 0.000 0.000 1.065 182 G CA -0.391 44.714 45.100 0.009 0.000 0.837 182 G HN 0.131 nan 8.290 nan 0.000 0.526 183 E N 1.057 121.264 120.200 0.012 0.000 2.366 183 E HA 0.141 4.494 4.350 0.004 0.000 0.266 183 E C -0.479 176.121 176.600 -0.000 0.000 1.051 183 E CA -0.406 55.993 56.400 -0.001 0.000 0.884 183 E CB 0.709 30.413 29.700 0.006 0.000 1.006 183 E HN 0.014 nan 8.360 nan 0.000 0.417 184 E N 2.475 122.666 120.200 -0.016 0.000 2.299 184 E HA 0.095 4.448 4.350 0.004 0.000 0.272 184 E C -0.465 176.126 176.600 -0.015 0.000 1.043 184 E CA -0.056 56.333 56.400 -0.018 0.000 0.895 184 E CB 1.099 30.781 29.700 -0.029 0.000 1.011 184 E HN 0.359 nan 8.360 nan 0.000 0.432 185 V N 0.848 120.754 119.914 -0.014 0.000 2.581 185 V HA 0.653 4.776 4.120 0.004 0.000 0.303 185 V C 0.239 176.321 176.094 -0.020 0.000 1.041 185 V CA -1.031 61.254 62.300 -0.026 0.000 0.907 185 V CB 1.523 33.318 31.823 -0.047 0.000 0.994 185 V HN 0.300 nan 8.190 nan 0.000 0.442 186 V N 0.997 120.896 119.914 -0.024 0.000 2.769 186 V HA 0.630 4.752 4.120 0.004 0.000 0.312 186 V C 0.204 176.288 176.094 -0.016 0.000 1.058 186 V CA -1.290 61.002 62.300 -0.013 0.000 0.952 186 V CB 1.372 33.189 31.823 -0.010 0.000 1.019 186 V HN 1.069 nan 8.190 nan 0.000 0.445 187 K N 2.162 122.562 120.400 -0.000 0.000 2.405 187 K HA 0.383 4.705 4.320 0.004 0.000 0.276 187 K C 1.039 177.639 176.600 -0.000 0.000 1.099 187 K CA 1.428 57.720 56.287 0.008 0.000 1.120 187 K CB -0.493 32.020 32.500 0.021 0.000 0.877 187 K HN 1.759 nan 8.250 nan 0.000 0.472 188 G N 2.326 111.122 108.800 -0.008 0.000 2.195 188 G HA2 -0.274 3.689 3.960 0.004 0.000 0.224 188 G HA3 -0.274 3.689 3.960 0.004 0.000 0.224 188 G C -0.106 174.777 174.900 -0.028 0.000 0.990 188 G CA 0.099 45.193 45.100 -0.010 0.000 0.639 188 G HN 0.688 nan 8.290 nan 0.000 0.514 189 Q N 1.038 120.811 119.800 -0.045 0.000 2.352 189 Q HA 0.291 4.634 4.340 0.004 0.000 0.260 189 Q C -0.135 175.816 176.000 -0.082 0.000 0.976 189 Q CA -0.010 55.760 55.803 -0.055 0.000 0.881 189 Q CB 0.305 29.010 28.738 -0.056 0.000 1.235 189 Q HN 0.553 nan 8.270 nan 0.000 0.419 190 E N 4.262 124.424 120.200 -0.064 0.000 2.217 190 E HA 0.018 4.371 4.350 0.004 0.000 0.279 190 E C 0.360 176.905 176.600 -0.091 0.000 1.068 190 E CA -0.080 56.277 56.400 -0.072 0.000 0.882 190 E CB 0.660 30.335 29.700 -0.042 0.000 1.039 190 E HN 0.595 nan 8.360 nan 0.000 0.418 191 L N 2.418 123.555 121.223 -0.144 0.000 2.554 191 L HA 0.150 4.493 4.340 0.004 0.000 0.226 191 L C 0.608 177.418 176.870 -0.100 0.000 1.137 191 L CA 0.155 54.902 54.840 -0.154 0.000 0.863 191 L CB 0.039 41.928 42.059 -0.284 0.000 0.985 191 L HN 0.551 nan 8.230 nan 0.000 0.451 192 A N -1.823 120.954 122.820 -0.072 0.000 2.489 192 A HA 0.372 4.695 4.320 0.004 0.000 0.293 192 A C -2.249 175.320 177.584 -0.026 0.000 1.004 192 A CA -0.773 51.240 52.037 -0.040 0.000 0.626 192 A CB -0.080 18.894 19.000 -0.043 0.000 1.345 192 A HN -0.217 nan 8.150 nan 0.000 0.447 193 P HA -0.196 nan 4.420 nan 0.000 0.216 193 P C 1.547 178.843 177.300 -0.005 0.000 1.167 193 P CA 2.778 65.874 63.100 -0.007 0.000 0.914 193 P CB -0.114 31.586 31.700 -0.001 0.000 0.793 194 G N -0.320 108.479 108.800 -0.001 0.000 2.408 194 G HA2 0.032 3.994 3.960 0.004 0.000 0.215 194 G HA3 0.032 3.994 3.960 0.004 0.000 0.215 194 G C 0.624 175.530 174.900 0.010 0.000 1.156 194 G CA 0.212 45.316 45.100 0.006 0.000 0.793 194 G HN 0.220 nan 8.290 nan 0.000 0.535 195 V N 0.470 120.386 119.914 0.004 0.000 2.732 195 V HA 0.538 4.661 4.120 0.004 0.000 0.297 195 V C -0.196 175.872 176.094 -0.043 0.000 1.060 195 V CA -0.601 61.706 62.300 0.011 0.000 1.038 195 V CB 1.707 33.541 31.823 0.019 0.000 1.003 195 V HN -0.035 nan 8.190 nan 0.000 0.481 196 V N 2.333 122.222 119.914 -0.042 0.000 2.668 196 V HA 0.335 4.457 4.120 0.004 0.000 0.304 196 V C 0.053 176.066 176.094 -0.135 0.000 1.071 196 V CA -0.375 61.873 62.300 -0.086 0.000 0.894 196 V CB 2.153 33.964 31.823 -0.020 0.000 1.008 196 V HN 0.970 nan 8.190 nan 0.000 0.425 197 S N 3.595 119.130 115.700 -0.274 0.000 2.573 197 S HA 0.281 4.754 4.470 0.004 0.000 0.277 197 S C 0.940 175.549 174.600 0.015 0.000 1.346 197 S CA 0.106 58.127 58.200 -0.299 0.000 1.034 197 S CB 0.538 63.568 63.200 -0.284 0.000 0.879 197 S HN 0.718 nan 8.310 nan 0.000 0.528 198 R N 1.633 122.236 120.500 0.171 0.000 2.437 198 R HA 0.464 4.807 4.340 0.004 0.000 0.257 198 R C -0.578 175.786 176.300 0.108 0.000 0.927 198 R CA 0.105 56.291 56.100 0.144 0.000 1.078 198 R CB 0.263 30.666 30.300 0.173 0.000 1.161 198 R HN 0.514 nan 8.270 nan 0.000 0.529 199 L N -0.771 120.516 121.223 0.107 0.000 2.568 199 L HA 0.320 4.662 4.340 0.004 0.000 0.257 199 L C -1.295 175.608 176.870 0.056 0.000 1.024 199 L CA -1.100 53.788 54.840 0.080 0.000 0.854 199 L CB 2.461 44.578 42.059 0.098 0.000 1.460 199 L HN -0.159 nan 8.230 nan 0.000 0.409 200 D N 0.086 120.513 120.400 0.045 0.000 2.339 200 D HA 0.646 5.288 4.640 0.004 0.000 0.245 200 D C 0.325 176.650 176.300 0.043 0.000 1.115 200 D CA 1.092 55.111 54.000 0.032 0.000 0.917 200 D CB 1.554 42.371 40.800 0.028 0.000 1.192 200 D HN 0.792 nan 8.370 nan 0.000 0.428 201 G N -0.784 108.035 108.800 0.032 0.000 2.373 201 G HA2 0.215 4.177 3.960 0.004 0.000 0.250 201 G HA3 0.215 4.177 3.960 0.004 0.000 0.250 201 G C -1.723 173.195 174.900 0.030 0.000 1.304 201 G CA -0.641 44.484 45.100 0.042 0.000 0.948 201 G HN 0.444 nan 8.290 nan 0.000 0.474 202 V N 1.306 121.247 119.914 0.044 0.000 2.409 202 V HA 0.702 4.824 4.120 0.004 0.000 0.291 202 V C 0.715 176.841 176.094 0.053 0.000 1.020 202 V CA -0.062 62.261 62.300 0.039 0.000 0.848 202 V CB 1.036 32.885 31.823 0.044 0.000 0.990 202 V HN 1.664 nan 8.190 nan 0.000 0.430 203 A N 7.057 129.904 122.820 0.046 0.000 2.404 203 A HA 0.724 5.047 4.320 0.004 0.000 0.273 203 A C -0.393 177.262 177.584 0.118 0.000 1.144 203 A CA -0.098 51.975 52.037 0.060 0.000 0.806 203 A CB -0.064 18.961 19.000 0.041 0.000 1.080 203 A HN 0.803 nan 8.150 nan 0.000 0.509 204 L N 2.079 123.370 121.223 0.113 0.000 2.346 204 L HA 0.464 4.807 4.340 0.004 0.000 0.274 204 L C -1.059 175.915 176.870 0.174 0.000 1.007 204 L CA -0.898 54.029 54.840 0.145 0.000 0.818 204 L CB 1.231 43.334 42.059 0.073 0.000 1.284 204 L HN 0.597 nan 8.230 nan 0.000 0.424 205 Y N 1.799 122.068 120.300 -0.051 0.000 2.313 205 Y HA 0.354 4.907 4.550 0.004 0.000 0.332 205 Y C 0.253 176.064 175.900 -0.149 0.000 1.071 205 Y CA -0.564 57.498 58.100 -0.064 0.000 1.169 205 Y CB 1.020 39.450 38.460 -0.050 0.000 1.192 205 Y HN 0.310 nan 8.280 nan 0.000 0.487 206 R N 5.084 125.537 120.500 -0.079 0.000 2.215 206 R HA 0.300 4.642 4.340 0.004 0.000 0.337 206 R C -0.657 175.566 176.300 -0.128 0.000 1.010 206 R CA -0.815 55.100 56.100 -0.308 0.000 0.871 206 R CB -0.290 29.939 30.300 -0.118 0.000 1.134 206 R HN 0.729 nan 8.270 nan 0.000 0.477 392 S N -0.903 114.812 115.700 0.024 0.000 2.567 392 S HA 0.708 5.181 4.470 0.004 0.000 0.270 392 S C -1.399 173.149 174.600 -0.088 0.000 1.152 392 S CA -0.424 57.776 58.200 -0.001 0.000 0.835 392 S CB 1.558 64.794 63.200 0.060 0.000 1.115 392 S HN 0.546 nan 8.310 nan 0.000 0.459 393 I N 1.899 122.441 120.570 -0.048 0.000 2.466 393 I HA 0.481 4.654 4.170 0.004 0.000 0.289 393 I C -1.107 175.076 176.117 0.110 0.000 1.026 393 I CA -0.880 60.375 61.300 -0.074 0.000 1.078 393 I CB 1.651 39.545 38.000 -0.177 0.000 1.249 393 I HN 0.545 nan 8.210 nan 0.000 0.429 394 L N 6.548 127.816 121.223 0.075 0.000 2.277 394 L HA 0.698 5.041 4.340 0.004 0.000 0.284 394 L C -0.564 176.391 176.870 0.141 0.000 1.028 394 L CA -0.307 54.602 54.840 0.115 0.000 0.835 394 L CB 1.067 43.147 42.059 0.034 0.000 1.215 394 L HN 0.298 nan 8.230 nan 0.000 0.425 395 V N 4.183 124.243 119.914 0.244 0.000 2.881 395 V HA 0.592 4.715 4.120 0.004 0.000 0.303 395 V C 0.290 176.473 176.094 0.148 0.000 1.070 395 V CA -0.198 62.210 62.300 0.181 0.000 1.074 395 V CB 1.596 33.548 31.823 0.216 0.000 1.012 395 V HN 0.736 nan 8.190 nan 0.000 0.482 396 V N 0.938 120.920 119.914 0.113 0.000 2.623 396 V HA 0.493 4.615 4.120 0.004 0.000 0.304 396 V C -0.187 175.965 176.094 0.097 0.000 1.054 396 V CA -1.128 61.237 62.300 0.109 0.000 0.882 396 V CB 1.652 33.537 31.823 0.103 0.000 1.002 396 V HN 0.732 nan 8.190 nan 0.000 0.424 397 K N 2.725 123.184 120.400 0.097 0.000 2.199 397 K HA 0.577 4.900 4.320 0.004 0.000 0.226 397 K C 0.018 176.674 176.600 0.094 0.000 1.237 397 K CA 0.468 56.806 56.287 0.085 0.000 1.170 397 K CB -0.003 32.544 32.500 0.079 0.000 1.418 397 K HN 1.057 nan 8.250 nan 0.000 0.255 398 A N 2.840 125.717 122.820 0.095 0.000 2.515 398 A HA 0.610 4.933 4.320 0.004 0.000 0.296 398 A C -0.655 176.991 177.584 0.103 0.000 1.094 398 A CA -0.939 51.166 52.037 0.115 0.000 0.718 398 A CB 1.244 20.318 19.000 0.122 0.000 1.307 398 A HN 0.479 nan 8.150 nan 0.000 0.408 399 R N -0.021 120.569 120.500 0.150 0.000 2.596 399 R HA 0.681 5.024 4.340 0.004 0.000 0.267 399 R C -1.222 175.130 176.300 0.087 0.000 1.026 399 R CA -0.697 55.450 56.100 0.079 0.000 1.087 399 R CB 1.806 32.180 30.300 0.123 0.000 1.132 399 R HN 0.422 nan 8.270 nan 0.000 0.531 400 V N 2.642 122.473 119.914 -0.139 0.000 2.531 400 V HA 0.385 4.508 4.120 0.004 0.000 0.301 400 V C -1.687 174.279 176.094 -0.213 0.000 1.034 400 V CA -0.663 61.624 62.300 -0.021 0.000 0.865 400 V CB 1.333 33.157 31.823 0.002 0.000 0.995 400 V HN 0.558 nan 8.190 nan 0.000 0.424 401 Y N 6.635 126.981 120.300 0.076 0.000 2.345 401 Y HA 0.565 5.117 4.550 0.004 0.000 0.331 401 Y C -2.383 173.603 175.900 0.144 0.000 0.959 401 Y CA -3.093 55.059 58.100 0.087 0.000 1.204 401 Y CB 1.577 40.084 38.460 0.079 0.000 1.135 401 Y HN 0.489 nan 8.280 nan 0.000 0.477 402 P HA 0.246 nan 4.420 nan 0.000 0.279 402 P C -1.046 176.367 177.300 0.189 0.000 1.239 402 P CA -0.283 62.882 63.100 0.109 0.000 0.789 402 P CB 0.494 32.188 31.700 -0.010 0.000 0.933 403 F N -0.634 119.342 119.950 0.043 0.000 2.547 403 F HA 0.587 5.117 4.527 0.005 0.000 0.316 403 F C 0.610 176.420 175.800 0.018 0.000 1.121 403 F CA -0.897 57.123 58.000 0.033 0.000 0.911 403 F CB 1.702 40.721 39.000 0.033 0.000 1.179 403 F HN 0.141 nan 8.300 nan 0.000 0.443 404 E N 0.727 120.964 120.200 0.060 0.000 2.276 404 E HA 0.072 4.424 4.350 0.004 0.000 0.193 404 E C -0.453 176.196 176.600 0.082 0.000 0.983 404 E CA 0.624 57.017 56.400 -0.012 0.000 0.861 404 E CB 0.170 29.868 29.700 -0.003 0.000 0.817 404 E HN 0.602 nan 8.360 nan 0.000 0.485 405 D N 0.609 121.122 120.400 0.188 0.000 2.384 405 D HA 0.056 4.698 4.640 0.004 0.000 0.250 405 D C -0.761 175.710 176.300 0.285 0.000 1.029 405 D CA -0.664 53.445 54.000 0.181 0.000 0.990 405 D CB 0.844 41.707 40.800 0.105 0.000 1.175 405 D HN -0.038 nan 8.370 nan 0.000 0.532 406 D N -0.702 119.796 120.400 0.164 0.000 2.515 406 D HA -0.063 4.580 4.640 0.004 0.000 0.230 406 D C -0.361 175.889 176.300 -0.083 0.000 1.181 406 D CA 0.047 54.097 54.000 0.084 0.000 0.875 406 D CB 0.325 41.145 40.800 0.032 0.000 1.213 406 D HN -0.050 nan 8.370 nan 0.000 0.478 407 V N 1.617 121.358 119.914 -0.288 0.000 2.607 407 V HA 0.157 4.279 4.120 0.004 0.000 0.289 407 V C 1.360 177.322 176.094 -0.220 0.000 1.053 407 V CA -0.373 61.658 62.300 -0.448 0.000 0.996 407 V CB 0.947 32.399 31.823 -0.619 0.000 0.995 407 V HN 0.780 nan 8.190 nan 0.000 0.476 408 E N 3.045 123.134 120.200 -0.184 0.000 2.389 408 E HA 0.103 4.455 4.350 0.004 0.000 0.199 408 E C 0.275 176.812 176.600 -0.104 0.000 0.978 408 E CA 0.308 56.640 56.400 -0.113 0.000 0.912 408 E CB 0.503 30.152 29.700 -0.085 0.000 0.907 408 E HN 0.532 nan 8.360 nan 0.000 0.494 409 V N 1.318 121.152 119.914 -0.132 0.000 2.904 409 V HA 0.429 4.552 4.120 0.004 0.000 0.305 409 V C 0.211 176.249 176.094 -0.093 0.000 1.067 409 V CA -0.182 62.058 62.300 -0.101 0.000 1.044 409 V CB 1.570 33.331 31.823 -0.105 0.000 1.050 409 V HN 0.324 nan 8.190 nan 0.000 0.475 410 S N 0.225 115.890 115.700 -0.057 0.000 2.566 410 S HA 0.484 4.957 4.470 0.004 0.000 0.298 410 S C -0.412 174.175 174.600 -0.021 0.000 1.083 410 S CA -0.725 57.451 58.200 -0.040 0.000 0.978 410 S CB 1.494 64.677 63.200 -0.028 0.000 1.073 410 S HN 0.641 nan 8.310 nan 0.000 0.491 411 T N 2.167 116.716 114.554 -0.008 0.000 2.829 411 T HA 0.485 4.837 4.350 0.004 0.000 0.293 411 T C 1.447 176.156 174.700 0.014 0.000 0.970 411 T CA 1.037 63.142 62.100 0.010 0.000 1.168 411 T CB -0.037 68.842 68.868 0.017 0.000 0.911 411 T HN 1.457 nan 8.240 nan 0.000 0.535 412 G N 3.891 112.704 108.800 0.022 0.000 2.436 412 G HA2 -0.184 3.778 3.960 0.004 0.000 0.204 412 G HA3 -0.184 3.778 3.960 0.004 0.000 0.204 412 G C -0.009 174.898 174.900 0.013 0.000 1.026 412 G CA -0.369 44.744 45.100 0.022 0.000 0.658 412 G HN 0.659 nan 8.290 nan 0.000 0.499 413 D N 1.218 121.622 120.400 0.006 0.000 2.390 413 D HA 0.548 5.190 4.640 0.004 0.000 0.236 413 D C 0.928 177.237 176.300 0.016 0.000 1.189 413 D CA 0.354 54.355 54.000 0.001 0.000 0.887 413 D CB 0.424 41.221 40.800 -0.004 0.000 1.198 413 D HN 0.266 nan 8.370 nan 0.000 0.444 414 R N 0.273 120.780 120.500 0.012 0.000 2.540 414 R HA 0.704 5.047 4.340 0.004 0.000 0.287 414 R C -0.885 175.515 176.300 0.167 0.000 0.980 414 R CA -0.716 55.416 56.100 0.054 0.000 0.966 414 R CB 1.472 31.697 30.300 -0.125 0.000 1.106 414 R HN 0.127 nan 8.270 nan 0.000 0.480 415 V N 0.809 120.897 119.914 0.290 0.000 2.962 415 V HA 0.900 5.022 4.120 0.004 0.000 0.313 415 V C -0.563 175.646 176.094 0.190 0.000 1.099 415 V CA -0.898 61.520 62.300 0.196 0.000 0.971 415 V CB 2.144 33.985 31.823 0.031 0.000 1.028 415 V HN 0.889 nan 8.190 nan 0.000 0.430 416 A N 3.248 126.025 122.820 -0.071 0.000 2.437 416 A HA 0.982 5.305 4.320 0.004 0.000 0.292 416 A C -3.036 174.248 177.584 -0.500 0.000 1.173 416 A CA -2.130 49.584 52.037 -0.538 0.000 0.785 416 A CB 1.766 20.476 19.000 -0.484 0.000 1.351 416 A HN 0.616 nan 8.150 nan 0.000 0.431 417 P HA 0.305 nan 4.420 nan 0.000 0.261 417 P C 0.912 178.066 177.300 -0.243 0.000 1.203 417 P CA 2.132 65.004 63.100 -0.380 0.000 0.767 417 P CB 0.539 32.014 31.700 -0.374 0.000 0.785 418 G N 3.261 111.956 108.800 -0.175 0.000 2.561 418 G HA2 -0.191 3.772 3.960 0.004 0.000 0.203 418 G HA3 -0.191 3.772 3.960 0.004 0.000 0.203 418 G C -0.238 174.593 174.900 -0.115 0.000 1.101 418 G CA -0.488 44.539 45.100 -0.121 0.000 0.711 418 G HN 0.498 nan 8.290 nan 0.000 0.511 419 D N 1.668 121.993 120.400 -0.126 0.000 2.752 419 D HA 0.315 4.958 4.640 0.004 0.000 0.225 419 D C 0.977 177.207 176.300 -0.116 0.000 1.104 419 D CA 0.497 54.437 54.000 -0.100 0.000 0.832 419 D CB 1.035 41.783 40.800 -0.086 0.000 1.161 419 D HN 0.373 nan 8.370 nan 0.000 0.505 420 V N 3.678 123.539 119.914 -0.088 0.000 2.843 420 V HA 0.021 4.143 4.120 0.004 0.000 0.305 420 V C 1.366 177.392 176.094 -0.114 0.000 1.065 420 V CA 0.310 62.557 62.300 -0.088 0.000 1.116 420 V CB 0.916 32.702 31.823 -0.061 0.000 0.968 420 V HN 0.480 nan 8.190 nan 0.000 0.487 421 L N 2.907 124.053 121.223 -0.128 0.000 2.694 421 L HA 0.720 5.063 4.340 0.004 0.000 0.228 421 L C 0.560 177.323 176.870 -0.179 0.000 1.048 421 L CA 0.625 55.369 54.840 -0.160 0.000 0.887 421 L CB 0.086 42.029 42.059 -0.194 0.000 1.265 421 L HN 0.712 nan 8.230 nan 0.000 0.492 422 A N -0.947 121.800 122.820 -0.121 0.000 2.544 422 A HA 0.438 4.761 4.320 0.004 0.000 0.291 422 A C -1.180 176.403 177.584 -0.002 0.000 1.055 422 A CA -0.277 51.688 52.037 -0.121 0.000 0.651 422 A CB 0.569 19.407 19.000 -0.270 0.000 1.296 422 A HN 0.121 nan 8.150 nan 0.000 0.431 423 D N -0.278 120.143 120.400 0.034 0.000 2.746 423 D HA -0.018 4.625 4.640 0.004 0.000 0.236 423 D C 0.926 177.242 176.300 0.027 0.000 1.129 423 D CA 3.122 57.158 54.000 0.059 0.000 0.691 423 D CB -1.172 39.683 40.800 0.093 0.000 1.077 423 D HN 2.366 nan 8.370 nan 0.000 0.432 424 G N -0.522 108.281 108.800 0.005 0.000 2.569 424 G HA2 -0.212 3.751 3.960 0.004 0.000 0.259 424 G HA3 -0.212 3.751 3.960 0.004 0.000 0.259 424 G C 1.085 175.980 174.900 -0.007 0.000 1.263 424 G CA 0.446 45.544 45.100 -0.002 0.000 0.928 424 G HN 0.827 nan 8.290 nan 0.000 0.572 425 G N 0.080 108.876 108.800 -0.006 0.000 2.882 425 G HA2 0.193 4.156 3.960 0.004 0.000 0.206 425 G HA3 0.193 4.156 3.960 0.004 0.000 0.206 425 G C 1.354 176.253 174.900 -0.001 0.000 1.155 425 G CA 1.556 46.650 45.100 -0.010 0.000 0.800 425 G HN 0.921 nan 8.290 nan 0.000 0.524 426 K N 0.110 120.518 120.400 0.013 0.000 1.973 426 K HA -0.058 4.265 4.320 0.004 0.000 0.212 426 K C 0.463 177.088 176.600 0.042 0.000 1.047 426 K CA 0.930 57.235 56.287 0.029 0.000 0.937 426 K CB -0.224 32.301 32.500 0.042 0.000 0.721 426 K HN 0.085 nan 8.250 nan 0.000 0.440 427 V N 3.419 123.362 119.914 0.048 0.000 2.353 427 V HA 0.179 4.302 4.120 0.004 0.000 0.264 427 V C -0.499 175.584 176.094 -0.019 0.000 1.049 427 V CA -0.284 62.058 62.300 0.069 0.000 0.896 427 V CB 0.725 32.619 31.823 0.117 0.000 1.025 427 V HN 0.266 nan 8.190 nan 0.000 0.475 428 K N 2.627 123.008 120.400 -0.032 0.000 2.267 428 K HA 0.635 4.958 4.320 0.004 0.000 0.246 428 K C 0.027 176.433 176.600 -0.324 0.000 0.954 428 K CA -0.489 55.717 56.287 -0.136 0.000 0.824 428 K CB 2.061 34.519 32.500 -0.070 0.000 1.167 428 K HN 0.555 nan 8.250 nan 0.000 0.431 429 S N 0.039 115.472 115.700 -0.446 0.000 2.632 429 S HA 0.090 4.562 4.470 0.004 0.000 0.267 429 S C -0.064 174.404 174.600 -0.221 0.000 1.276 429 S CA -0.217 57.592 58.200 -0.651 0.000 0.998 429 S CB 0.614 63.543 63.200 -0.453 0.000 0.953 429 S HN 0.632 nan 8.310 nan 0.000 0.547 430 D N 0.552 120.949 120.400 -0.006 0.000 2.500 430 D HA 0.288 4.930 4.640 0.004 0.000 0.218 430 D C -0.587 175.699 176.300 -0.022 0.000 1.140 430 D CA 0.402 54.434 54.000 0.053 0.000 0.830 430 D CB 1.008 41.919 40.800 0.186 0.000 1.055 430 D HN 0.328 nan 8.370 nan 0.000 0.512 431 V N 0.484 120.378 119.914 -0.034 0.000 3.114 431 V HA 0.336 4.459 4.120 0.004 0.000 0.308 431 V C -0.716 175.324 176.094 -0.090 0.000 1.168 431 V CA -1.058 61.213 62.300 -0.048 0.000 1.015 431 V CB 1.780 33.650 31.823 0.079 0.000 1.050 431 V HN -0.100 nan 8.190 nan 0.000 0.433 432 Y N 1.082 121.334 120.300 -0.079 0.000 2.411 432 Y HA 0.603 5.155 4.550 0.004 0.000 0.333 432 Y C 1.009 176.970 175.900 0.102 0.000 1.186 432 Y CA 1.563 59.599 58.100 -0.108 0.000 1.381 432 Y CB 1.230 39.496 38.460 -0.323 0.000 1.273 432 Y HN 1.001 nan 8.280 nan 0.000 0.546 433 G N 2.095 111.138 108.800 0.404 0.000 2.328 433 G HA2 0.156 4.119 3.960 0.004 0.000 0.299 433 G HA3 0.156 4.119 3.960 0.004 0.000 0.299 433 G C -1.768 173.249 174.900 0.195 0.000 1.435 433 G CA -1.236 44.025 45.100 0.269 0.000 0.865 433 G HN 0.500 nan 8.290 nan 0.000 0.601 434 R N -0.937 119.641 120.500 0.131 0.000 2.738 434 R HA 0.654 4.996 4.340 0.004 0.000 0.275 434 R C -0.458 175.890 176.300 0.081 0.000 1.121 434 R CA -0.174 55.979 56.100 0.089 0.000 1.207 434 R CB 1.056 31.401 30.300 0.075 0.000 1.141 434 R HN 0.412 nan 8.270 nan 0.000 0.571 435 V N 1.221 121.170 119.914 0.058 0.000 2.823 435 V HA 0.348 4.470 4.120 0.004 0.000 0.312 435 V C -1.018 175.105 176.094 0.047 0.000 1.072 435 V CA -0.683 61.645 62.300 0.046 0.000 0.937 435 V CB 2.106 33.938 31.823 0.014 0.000 1.013 435 V HN 0.767 nan 8.190 nan 0.000 0.430 436 E N 1.963 122.195 120.200 0.053 0.000 2.373 436 E HA 0.357 4.710 4.350 0.004 0.000 0.251 436 E C -1.290 175.346 176.600 0.060 0.000 0.923 436 E CA -0.500 55.933 56.400 0.054 0.000 0.798 436 E CB 2.166 31.905 29.700 0.064 0.000 1.303 436 E HN 0.416 nan 8.360 nan 0.000 0.412 437 V N 2.594 122.532 119.914 0.041 0.000 2.229 437 V HA 0.049 4.172 4.120 0.004 0.000 0.245 437 V C -0.065 176.091 176.094 0.103 0.000 1.243 437 V CA -0.203 62.130 62.300 0.055 0.000 1.176 437 V CB -0.258 31.559 31.823 -0.010 0.000 1.323 437 V HN 0.637 nan 8.190 nan 0.000 0.499 438 D N 3.372 123.852 120.400 0.134 0.000 2.338 438 D HA 0.239 4.881 4.640 0.004 0.000 0.255 438 D C 0.698 177.088 176.300 0.151 0.000 1.237 438 D CA -0.049 54.015 54.000 0.107 0.000 0.883 438 D CB 0.854 41.697 40.800 0.071 0.000 1.087 438 D HN 0.412 nan 8.370 nan 0.000 0.485 439 L N 4.078 125.373 121.223 0.120 0.000 2.728 439 L HA 0.108 4.450 4.340 0.004 0.000 0.235 439 L C 0.866 177.760 176.870 0.040 0.000 1.197 439 L CA -0.149 54.764 54.840 0.122 0.000 0.992 439 L CB 0.438 42.575 42.059 0.131 0.000 1.263 439 L HN 0.457 nan 8.230 nan 0.000 0.484 440 V N -1.231 118.692 119.914 0.015 0.000 3.307 440 V HA 0.034 4.156 4.120 0.004 0.000 0.253 440 V C 1.779 177.846 176.094 -0.045 0.000 1.149 440 V CA 0.774 63.065 62.300 -0.015 0.000 1.112 440 V CB -0.024 31.784 31.823 -0.024 0.000 0.777 440 V HN 0.417 nan 8.190 nan 0.000 0.464 441 R N -0.242 120.228 120.500 -0.050 0.000 2.565 441 R HA 0.273 4.615 4.340 0.004 0.000 0.347 441 R C -0.158 176.056 176.300 -0.142 0.000 1.010 441 R CA -0.202 55.846 56.100 -0.087 0.000 1.126 441 R CB 0.217 30.478 30.300 -0.066 0.000 1.331 441 R HN 0.471 nan 8.270 nan 0.000 0.552 442 N N 0.445 119.042 118.700 -0.171 0.000 2.669 442 N HA -0.194 4.549 4.740 0.004 0.000 0.266 442 N C -1.323 173.806 175.510 -0.635 0.000 1.024 442 N CA 0.821 53.596 53.050 -0.459 0.000 0.766 442 N CB -0.507 37.688 38.487 -0.486 0.000 0.898 442 N HN 0.044 nan 8.380 nan 0.000 0.548 443 V N -0.343 119.510 119.914 -0.103 0.000 3.120 443 V HA 0.665 4.788 4.120 0.004 0.000 0.303 443 V C -1.198 175.196 176.094 0.500 0.000 1.238 443 V CA -0.774 61.639 62.300 0.188 0.000 1.008 443 V CB 2.584 34.444 31.823 0.062 0.000 1.064 443 V HN -0.103 nan 8.190 nan 0.000 0.434 444 V N 6.073 126.270 119.914 0.473 0.000 2.407 444 V HA 0.598 4.721 4.120 0.004 0.000 0.291 444 V C -0.030 176.224 176.094 0.265 0.000 1.018 444 V CA -0.662 61.806 62.300 0.280 0.000 0.842 444 V CB 1.679 33.571 31.823 0.115 0.000 0.996 444 V HN 0.947 nan 8.190 nan 0.000 0.426 445 R N 3.665 124.285 120.500 0.199 0.000 2.540 445 R HA 0.835 5.177 4.340 0.004 0.000 0.287 445 R C -1.511 174.895 176.300 0.176 0.000 0.980 445 R CA -0.716 55.513 56.100 0.215 0.000 0.966 445 R CB 1.868 32.259 30.300 0.152 0.000 1.106 445 R HN 0.329 nan 8.270 nan 0.000 0.480 446 V N 3.624 123.668 119.914 0.216 0.000 2.325 446 V HA 0.136 4.259 4.120 0.004 0.000 0.280 446 V C 0.254 176.442 176.094 0.156 0.000 1.016 446 V CA -0.964 61.425 62.300 0.150 0.000 0.818 446 V CB 1.268 33.147 31.823 0.094 0.000 1.019 446 V HN 0.689 nan 8.190 nan 0.000 0.434 447 V N 1.699 121.692 119.914 0.132 0.000 2.529 447 V HA 0.190 4.312 4.120 0.004 0.000 0.292 447 V C 1.447 177.619 176.094 0.130 0.000 1.028 447 V CA 0.222 62.598 62.300 0.126 0.000 1.074 447 V CB 0.649 32.545 31.823 0.122 0.000 0.958 447 V HN 0.968 nan 8.190 nan 0.000 0.481 448 E N 2.734 123.008 120.200 0.123 0.000 2.253 448 E HA -0.174 4.178 4.350 0.004 0.000 0.202 448 E C 0.749 177.435 176.600 0.143 0.000 1.014 448 E CA 1.431 57.907 56.400 0.128 0.000 0.823 448 E CB 0.172 29.934 29.700 0.103 0.000 0.736 448 E HN 0.882 nan 8.360 nan 0.000 0.478 449 S N -0.073 115.700 115.700 0.121 0.000 2.475 449 S HA 0.206 4.679 4.470 0.004 0.000 0.281 449 S C -0.547 174.162 174.600 0.183 0.000 1.198 449 S CA -0.661 57.614 58.200 0.125 0.000 1.063 449 S CB 0.951 64.184 63.200 0.055 0.000 0.972 449 S HN 0.202 nan 8.310 nan 0.000 0.486 450 Y N 2.239 122.568 120.300 0.049 0.000 2.421 450 Y HA 0.224 4.777 4.550 0.004 0.000 0.366 450 Y C 0.408 176.313 175.900 0.009 0.000 1.360 450 Y CA -0.937 57.195 58.100 0.054 0.000 1.663 450 Y CB 0.256 38.734 38.460 0.031 0.000 1.677 450 Y HN 0.469 nan 8.280 nan 0.000 0.584 451 D N 2.426 122.393 120.400 -0.722 0.000 2.376 451 D HA 0.024 4.667 4.640 0.004 0.000 0.278 451 D C -0.537 175.628 176.300 -0.224 0.000 1.384 451 D CA 0.946 54.607 54.000 -0.566 0.000 1.033 451 D CB -0.634 39.645 40.800 -0.869 0.000 1.102 451 D HN 0.448 nan 8.370 nan 0.000 0.530 452 I N 2.081 122.590 120.570 -0.103 0.000 2.382 452 I HA 0.135 4.308 4.170 0.004 0.000 0.285 452 I C -0.996 175.090 176.117 -0.051 0.000 1.007 452 I CA -0.922 60.351 61.300 -0.045 0.000 1.142 452 I CB 0.986 38.996 38.000 0.016 0.000 1.289 452 I HN -0.069 nan 8.210 nan 0.000 0.453 453 D N 7.860 128.215 120.400 -0.075 0.000 2.312 453 D HA 0.590 5.232 4.640 0.004 0.000 0.252 453 D C -0.292 175.927 176.300 -0.135 0.000 1.150 453 D CA 0.121 54.069 54.000 -0.087 0.000 0.870 453 D CB 1.626 42.379 40.800 -0.078 0.000 1.153 453 D HN 0.646 nan 8.370 nan 0.000 0.457 454 A N 2.728 125.435 122.820 -0.189 0.000 2.486 454 A HA 0.873 5.195 4.320 0.004 0.000 0.300 454 A C -0.841 176.574 177.584 -0.282 0.000 1.048 454 A CA -0.977 50.859 52.037 -0.335 0.000 0.696 454 A CB 1.377 19.944 19.000 -0.720 0.000 1.278 454 A HN 0.450 nan 8.150 nan 0.000 0.405 455 R N 0.594 120.951 120.500 -0.239 0.000 2.633 455 R HA 0.560 4.903 4.340 0.004 0.000 0.256 455 R C -0.733 175.494 176.300 -0.122 0.000 1.131 455 R CA -0.268 55.741 56.100 -0.151 0.000 0.994 455 R CB 1.509 31.746 30.300 -0.106 0.000 1.261 455 R HN 1.046 nan 8.270 nan 0.000 0.446 456 M N 0.634 120.180 119.600 -0.089 0.000 2.591 456 M HA 0.884 5.367 4.480 0.004 0.000 0.306 456 M C 0.129 176.398 176.300 -0.051 0.000 1.190 456 M CA 0.255 55.520 55.300 -0.058 0.000 0.889 456 M CB 2.369 34.945 32.600 -0.040 0.000 1.728 456 M HN 0.719 nan 8.290 nan 0.000 0.458 457 G N 1.484 110.258 108.800 -0.044 0.000 2.481 457 G HA2 -0.168 3.795 3.960 0.004 0.000 0.230 457 G HA3 -0.168 3.795 3.960 0.004 0.000 0.230 457 G C 0.434 175.210 174.900 -0.207 0.000 1.210 457 G CA 0.406 45.458 45.100 -0.080 0.000 0.936 457 G HN 1.632 nan 8.290 nan 0.000 0.583 458 A N -0.262 122.410 122.820 -0.247 0.000 2.131 458 A HA 0.105 4.427 4.320 0.004 0.000 0.220 458 A C 2.067 179.542 177.584 -0.182 0.000 1.158 458 A CA 2.667 54.520 52.037 -0.306 0.000 0.665 458 A CB -0.491 18.386 19.000 -0.205 0.000 0.795 458 A HN 1.276 nan 8.150 nan 0.000 0.460 459 E N 0.139 120.264 120.200 -0.125 0.000 2.107 459 E HA 0.012 4.365 4.350 0.004 0.000 0.191 459 E C 1.868 178.410 176.600 -0.096 0.000 0.982 459 E CA 1.258 57.605 56.400 -0.088 0.000 0.809 459 E CB -0.337 29.323 29.700 -0.067 0.000 0.756 459 E HN 0.465 nan 8.360 nan 0.000 0.459 460 A N 0.459 123.214 122.820 -0.108 0.000 2.014 460 A HA -0.019 4.304 4.320 0.004 0.000 0.218 460 A C 2.041 179.566 177.584 -0.098 0.000 1.163 460 A CA 0.867 52.849 52.037 -0.091 0.000 0.652 460 A CB -0.232 18.732 19.000 -0.060 0.000 0.808 460 A HN 0.342 nan 8.150 nan 0.000 0.449 461 I N -0.620 119.864 120.570 -0.144 0.000 2.585 461 I HA -0.113 4.060 4.170 0.004 0.000 0.254 461 I C 2.475 178.535 176.117 -0.096 0.000 1.129 461 I CA 1.183 62.407 61.300 -0.126 0.000 1.455 461 I CB -1.170 36.701 38.000 -0.216 0.000 1.111 461 I HN 0.533 nan 8.210 nan 0.000 0.433 462 Q N 0.708 120.451 119.800 -0.095 0.000 2.112 462 Q HA -0.250 4.093 4.340 0.004 0.000 0.206 462 Q C 2.108 178.063 176.000 -0.075 0.000 0.987 462 Q CA 1.794 57.557 55.803 -0.067 0.000 0.858 462 Q CB 0.207 28.918 28.738 -0.046 0.000 0.905 462 Q HN 0.465 nan 8.270 nan 0.000 0.420 463 Q N 0.100 119.855 119.800 -0.075 0.000 2.046 463 Q HA -0.110 4.233 4.340 0.004 0.000 0.200 463 Q C 2.317 178.269 176.000 -0.079 0.000 0.975 463 Q CA 1.032 56.790 55.803 -0.075 0.000 0.836 463 Q CB -0.314 28.380 28.738 -0.073 0.000 0.896 463 Q HN 0.469 nan 8.270 nan 0.000 0.428 464 L N 0.365 121.544 121.223 -0.074 0.000 2.131 464 L HA -0.155 4.188 4.340 0.004 0.000 0.210 464 L C 2.494 179.312 176.870 -0.087 0.000 1.092 464 L CA 0.807 55.605 54.840 -0.069 0.000 0.759 464 L CB -0.486 41.542 42.059 -0.051 0.000 0.903 464 L HN 0.184 nan 8.230 nan 0.000 0.435 465 L N -0.300 120.861 121.223 -0.102 0.000 2.072 465 L HA -0.160 4.182 4.340 0.004 0.000 0.205 465 L C 2.744 179.503 176.870 -0.185 0.000 1.079 465 L CA 1.165 55.917 54.840 -0.146 0.000 0.752 465 L CB -0.178 41.791 42.059 -0.151 0.000 0.906 465 L HN 0.225 nan 8.230 nan 0.000 0.436 466 K N -0.007 120.296 120.400 -0.162 0.000 2.148 466 K HA -0.154 4.169 4.320 0.004 0.000 0.204 466 K C 1.638 178.154 176.600 -0.140 0.000 1.050 466 K CA 1.097 57.282 56.287 -0.170 0.000 0.942 466 K CB -0.129 32.296 32.500 -0.125 0.000 0.724 466 K HN 0.500 nan 8.250 nan 0.000 0.446 467 E N 0.815 120.948 120.200 -0.112 0.000 2.482 467 E HA 0.029 4.382 4.350 0.004 0.000 0.196 467 E C 0.238 176.783 176.600 -0.093 0.000 1.047 467 E CA 0.092 56.438 56.400 -0.090 0.000 0.869 467 E CB 0.081 29.737 29.700 -0.073 0.000 0.836 467 E HN 0.199 nan 8.360 nan 0.000 0.520 468 L N 1.923 123.077 121.223 -0.114 0.000 2.276 468 L HA 0.220 4.562 4.340 0.004 0.000 0.286 468 L C -0.071 176.730 176.870 -0.116 0.000 1.061 468 L CA -0.544 54.232 54.840 -0.107 0.000 0.807 468 L CB 0.617 42.608 42.059 -0.113 0.000 1.177 468 L HN -0.108 nan 8.230 nan 0.000 0.429 469 D N 3.592 123.940 120.400 -0.086 0.000 2.479 469 D HA 0.257 4.900 4.640 0.004 0.000 0.218 469 D C 1.342 177.602 176.300 -0.067 0.000 1.131 469 D CA -0.536 53.418 54.000 -0.077 0.000 0.916 469 D CB 0.657 41.423 40.800 -0.056 0.000 1.022 469 D HN 0.463 nan 8.370 nan 0.000 0.515 470 L N 1.753 122.926 121.223 -0.082 0.000 2.064 470 L HA -0.243 4.100 4.340 0.004 0.000 0.216 470 L C 1.782 178.634 176.870 -0.030 0.000 1.077 470 L CA 1.324 56.129 54.840 -0.058 0.000 0.766 470 L CB -0.891 41.129 42.059 -0.065 0.000 0.890 470 L HN 0.354 nan 8.230 nan 0.000 0.435 471 E N 1.226 121.408 120.200 -0.029 0.000 2.058 471 E HA -0.252 4.101 4.350 0.004 0.000 0.194 471 E C 2.435 179.026 176.600 -0.015 0.000 0.997 471 E CA 1.373 57.764 56.400 -0.016 0.000 0.801 471 E CB -0.305 29.386 29.700 -0.015 0.000 0.746 471 E HN 0.658 nan 8.360 nan 0.000 0.450 472 A N 1.760 124.567 122.820 -0.022 0.000 1.851 472 A HA -0.170 4.153 4.320 0.004 0.000 0.216 472 A C 2.254 179.826 177.584 -0.019 0.000 1.195 472 A CA 1.163 53.188 52.037 -0.020 0.000 0.622 472 A CB -0.824 18.161 19.000 -0.025 0.000 0.831 472 A HN 0.185 nan 8.150 nan 0.000 0.444 473 L N -0.722 120.487 121.223 -0.023 0.000 2.201 473 L HA -0.173 4.170 4.340 0.004 0.000 0.212 473 L C 2.639 179.500 176.870 -0.016 0.000 1.105 473 L CA 1.505 56.332 54.840 -0.021 0.000 0.775 473 L CB -0.269 41.775 42.059 -0.024 0.000 0.913 473 L HN 0.650 nan 8.230 nan 0.000 0.440 474 E N 0.347 120.541 120.200 -0.010 0.000 2.031 474 E HA -0.257 4.096 4.350 0.004 0.000 0.193 474 E C 2.057 178.652 176.600 -0.007 0.000 0.994 474 E CA 1.321 57.719 56.400 -0.003 0.000 0.800 474 E CB 0.147 29.850 29.700 0.005 0.000 0.752 474 E HN 0.454 nan 8.360 nan 0.000 0.447 475 K N 0.491 120.886 120.400 -0.007 0.000 2.002 475 K HA -0.212 4.110 4.320 0.004 0.000 0.209 475 K C 2.284 178.871 176.600 -0.022 0.000 1.048 475 K CA 1.604 57.887 56.287 -0.007 0.000 0.930 475 K CB -0.260 32.239 32.500 -0.001 0.000 0.714 475 K HN 0.135 nan 8.250 nan 0.000 0.438 476 E N 1.245 121.431 120.200 -0.024 0.000 2.086 476 E HA -0.208 4.144 4.350 0.004 0.000 0.200 476 E C 1.957 178.521 176.600 -0.059 0.000 1.012 476 E CA 1.268 57.647 56.400 -0.036 0.000 0.812 476 E CB -0.033 29.650 29.700 -0.029 0.000 0.743 476 E HN 0.199 nan 8.360 nan 0.000 0.453 477 L N 0.383 121.577 121.223 -0.048 0.000 2.141 477 L HA -0.154 4.188 4.340 0.004 0.000 0.209 477 L C 2.461 179.284 176.870 -0.079 0.000 1.094 477 L CA 0.662 55.468 54.840 -0.057 0.000 0.763 477 L CB -0.508 41.532 42.059 -0.031 0.000 0.908 477 L HN 0.315 nan 8.230 nan 0.000 0.437 478 L N -0.574 120.612 121.223 -0.062 0.000 2.043 478 L HA -0.224 4.118 4.340 0.004 0.000 0.212 478 L C 2.700 179.470 176.870 -0.167 0.000 1.075 478 L CA 1.301 56.104 54.840 -0.062 0.000 0.752 478 L CB -0.733 41.317 42.059 -0.015 0.000 0.891 478 L HN 0.311 nan 8.230 nan 0.000 0.432 479 E N 0.179 120.230 120.200 -0.248 0.000 2.046 479 E HA -0.213 4.139 4.350 0.004 0.000 0.190 479 E C 2.036 178.145 176.600 -0.819 0.000 0.982 479 E CA 1.045 57.049 56.400 -0.661 0.000 0.800 479 E CB -0.249 29.300 29.700 -0.252 0.000 0.756 479 E HN 0.369 nan 8.360 nan 0.000 0.449 480 E N 1.272 121.264 120.200 -0.346 0.000 2.118 480 E HA -0.167 4.186 4.350 0.004 0.000 0.195 480 E C 1.983 178.476 176.600 -0.179 0.000 0.992 480 E CA 1.029 57.303 56.400 -0.211 0.000 0.804 480 E CB -0.267 29.368 29.700 -0.108 0.000 0.741 480 E HN 0.164 nan 8.360 nan 0.000 0.458 481 M N 0.048 119.548 119.600 -0.168 0.000 2.059 481 M HA -0.189 4.294 4.480 0.004 0.000 0.259 481 M C 1.545 177.813 176.300 -0.052 0.000 1.072 481 M CA 1.857 57.106 55.300 -0.086 0.000 1.117 481 M CB -0.121 32.444 32.600 -0.059 0.000 1.320 481 M HN -0.004 nan 8.290 nan 0.000 0.408 482 K N -1.493 118.875 120.400 -0.052 0.000 2.400 482 K HA -0.051 4.272 4.320 0.004 0.000 0.194 482 K C 1.485 178.262 176.600 0.296 0.000 1.033 482 K CA 0.403 56.765 56.287 0.124 0.000 1.021 482 K CB 0.173 32.797 32.500 0.207 0.000 0.808 482 K HN 0.494 nan 8.250 nan 0.000 0.505 483 H N -0.178 118.892 119.070 0.000 0.000 2.334 483 H HA 0.178 4.737 4.556 0.004 0.000 0.315 483 H C -1.287 174.040 175.328 -0.002 0.000 1.056 483 H CA -0.509 55.538 56.048 -0.001 0.000 1.418 483 H CB -1.855 27.906 29.762 -0.001 0.000 1.464 483 H HN -0.007 nan 8.280 nan 0.000 0.587 484 P HA 0.031 nan 4.420 nan 0.000 0.280 484 P C 0.306 177.628 177.300 0.037 0.000 1.278 484 P CA 0.054 63.187 63.100 0.055 0.000 0.787 484 P CB 0.410 32.125 31.700 0.024 0.000 1.163 485 S N -0.560 115.153 115.700 0.023 0.000 2.617 485 S HA 0.149 4.622 4.470 0.004 0.000 0.259 485 S C 1.146 175.752 174.600 0.010 0.000 1.301 485 S CA -0.435 57.774 58.200 0.015 0.000 0.984 485 S CB 0.317 63.523 63.200 0.010 0.000 0.954 485 S HN 0.256 nan 8.310 nan 0.000 0.572 486 R N 0.400 120.904 120.500 0.007 0.000 2.200 486 R HA -0.096 4.247 4.340 0.004 0.000 0.234 486 R C 2.399 178.699 176.300 0.001 0.000 1.127 486 R CA 1.125 57.227 56.100 0.003 0.000 0.989 486 R CB -1.032 29.269 30.300 0.002 0.000 0.869 486 R HN 0.764 nan 8.270 nan 0.000 0.459 487 A N 2.381 125.202 122.820 0.001 0.000 1.845 487 A HA -0.189 4.134 4.320 0.004 0.000 0.215 487 A C 2.135 179.717 177.584 -0.003 0.000 1.195 487 A CA 1.448 53.484 52.037 -0.001 0.000 0.616 487 A CB -0.324 18.676 19.000 -0.000 0.000 0.832 487 A HN 0.314 nan 8.150 nan 0.000 0.443 488 R N 0.099 120.597 120.500 -0.004 0.000 2.210 488 R HA -0.005 4.337 4.340 0.004 0.000 0.203 488 R C 2.097 178.390 176.300 -0.013 0.000 1.010 488 R CA 0.953 57.048 56.100 -0.008 0.000 1.008 488 R CB -0.439 29.855 30.300 -0.009 0.000 0.923 488 R HN 0.712 nan 8.270 nan 0.000 0.469 489 R N 1.272 121.765 120.500 -0.011 0.000 2.073 489 R HA 0.094 4.436 4.340 0.004 0.000 0.229 489 R C 2.184 178.477 176.300 -0.012 0.000 1.120 489 R CA 1.189 57.279 56.100 -0.017 0.000 0.967 489 R CB -0.508 29.787 30.300 -0.009 0.000 0.862 489 R HN 0.126 nan 8.270 nan 0.000 0.436 490 A N 2.831 125.647 122.820 -0.006 0.000 1.865 490 A HA -0.251 4.072 4.320 0.004 0.000 0.217 490 A C 2.258 179.840 177.584 -0.005 0.000 1.191 490 A CA 1.945 53.980 52.037 -0.003 0.000 0.623 490 A CB -0.663 18.336 19.000 -0.002 0.000 0.826 490 A HN 0.570 nan 8.150 nan 0.000 0.444 491 K N -0.081 120.315 120.400 -0.007 0.000 2.074 491 K HA -0.141 4.181 4.320 0.004 0.000 0.209 491 K C 2.033 178.628 176.600 -0.009 0.000 1.048 491 K CA 1.804 58.087 56.287 -0.007 0.000 0.926 491 K CB -0.505 31.990 32.500 -0.009 0.000 0.713 491 K HN 0.306 nan 8.250 nan 0.000 0.444 492 A N 1.901 124.712 122.820 -0.014 0.000 1.933 492 A HA -0.203 4.119 4.320 0.004 0.000 0.218 492 A C 2.149 179.725 177.584 -0.013 0.000 1.175 492 A CA 1.855 53.881 52.037 -0.018 0.000 0.628 492 A CB -0.646 18.334 19.000 -0.032 0.000 0.814 492 A HN 0.611 nan 8.150 nan 0.000 0.444 493 R N 0.612 121.106 120.500 -0.009 0.000 2.083 493 R HA -0.111 4.232 4.340 0.004 0.000 0.237 493 R C 1.961 178.262 176.300 0.002 0.000 1.137 493 R CA 2.389 58.489 56.100 -0.000 0.000 0.951 493 R CB -0.757 29.547 30.300 0.006 0.000 0.851 493 R HN 0.440 nan 8.270 nan 0.000 0.434 494 K N -0.040 120.360 120.400 0.000 0.000 2.211 494 K HA -0.089 4.233 4.320 0.004 0.000 0.203 494 K C 2.177 178.774 176.600 -0.005 0.000 1.050 494 K CA 1.317 57.603 56.287 -0.001 0.000 0.945 494 K CB -0.057 32.442 32.500 -0.001 0.000 0.732 494 K HN 0.241 nan 8.250 nan 0.000 0.451 495 R N 0.096 120.593 120.500 -0.004 0.000 2.276 495 R HA -0.024 4.319 4.340 0.004 0.000 0.203 495 R C 1.745 178.046 176.300 0.002 0.000 1.017 495 R CA 0.303 56.402 56.100 -0.002 0.000 1.010 495 R CB 0.128 30.426 30.300 -0.004 0.000 0.900 495 R HN 0.116 nan 8.270 nan 0.000 0.469 496 L N 0.479 121.702 121.223 -0.000 0.000 2.416 496 L HA 0.118 4.461 4.340 0.004 0.000 0.216 496 L C 1.666 178.537 176.870 0.002 0.000 1.098 496 L CA 1.466 56.309 54.840 0.004 0.000 0.840 496 L CB -0.057 42.005 42.059 0.004 0.000 0.981 496 L HN 0.119 nan 8.230 nan 0.000 0.462 497 E N -0.876 119.318 120.200 -0.009 0.000 2.072 497 E HA -0.164 4.189 4.350 0.004 0.000 0.191 497 E C 2.075 178.636 176.600 -0.065 0.000 0.985 497 E CA 1.675 58.059 56.400 -0.028 0.000 0.801 497 E CB 0.146 29.829 29.700 -0.029 0.000 0.750 497 E HN 0.412 nan 8.360 nan 0.000 0.452 498 V N -0.395 119.479 119.914 -0.067 0.000 2.295 498 V HA -0.217 3.905 4.120 0.004 0.000 0.246 498 V C 2.379 178.461 176.094 -0.021 0.000 1.049 498 V CA 1.410 63.633 62.300 -0.127 0.000 1.024 498 V CB -1.003 30.786 31.823 -0.058 0.000 0.648 498 V HN 0.096 nan 8.190 nan 0.000 0.447 499 V N -0.093 119.881 119.914 0.099 0.000 2.343 499 V HA -0.204 3.919 4.120 0.004 0.000 0.247 499 V C 2.876 179.045 176.094 0.125 0.000 1.051 499 V CA 1.976 64.385 62.300 0.182 0.000 1.036 499 V CB -0.938 30.936 31.823 0.085 0.000 0.654 499 V HN 0.406 nan 8.190 nan 0.000 0.451 500 R N 0.676 121.200 120.500 0.039 0.000 2.127 500 R HA -0.191 4.152 4.340 0.004 0.000 0.228 500 R C 2.533 178.831 176.300 -0.004 0.000 1.125 500 R CA 2.012 58.122 56.100 0.016 0.000 0.904 500 R CB -1.556 28.742 30.300 -0.004 0.000 0.831 500 R HN 0.501 nan 8.270 nan 0.000 0.431 501 A N 0.616 123.387 122.820 -0.083 0.000 1.954 501 A HA -0.246 4.076 4.320 0.004 0.000 0.222 501 A C 2.382 179.888 177.584 -0.131 0.000 1.199 501 A CA 2.029 53.971 52.037 -0.158 0.000 0.657 501 A CB -1.008 17.815 19.000 -0.294 0.000 0.823 501 A HN 0.364 nan 8.150 nan 0.000 0.463 502 F N -0.892 119.013 119.950 -0.075 0.000 2.051 502 F HA -0.148 4.381 4.527 0.004 0.000 0.296 502 F C 2.339 178.103 175.800 -0.059 0.000 1.122 502 F CA 1.499 59.450 58.000 -0.081 0.000 1.201 502 F CB -0.249 38.690 39.000 -0.102 0.000 0.978 502 F HN 0.198 nan 8.300 nan 0.000 0.472 503 L N -0.135 121.201 121.223 0.187 0.000 2.027 503 L HA -0.236 4.107 4.340 0.004 0.000 0.206 503 L C 2.080 178.983 176.870 0.056 0.000 1.074 503 L CA 1.443 56.335 54.840 0.087 0.000 0.745 503 L CB -0.589 41.504 42.059 0.056 0.000 0.898 503 L HN 0.150 nan 8.230 nan 0.000 0.433 504 D N -0.079 120.344 120.400 0.038 0.000 2.156 504 D HA -0.211 4.432 4.640 0.004 0.000 0.190 504 D C 2.074 178.384 176.300 0.017 0.000 0.998 504 D CA 2.137 56.146 54.000 0.015 0.000 0.842 504 D CB -0.203 40.592 40.800 -0.008 0.000 0.974 504 D HN 0.292 nan 8.370 nan 0.000 0.447 505 S N -0.616 115.091 115.700 0.012 0.000 2.527 505 S HA 0.284 4.757 4.470 0.004 0.000 0.222 505 S C 1.470 176.096 174.600 0.042 0.000 0.985 505 S CA 0.603 58.812 58.200 0.015 0.000 0.921 505 S CB 0.972 64.165 63.200 -0.011 0.000 0.772 505 S HN 0.605 nan 8.310 nan 0.000 0.529 506 G N 2.441 111.279 108.800 0.063 0.000 2.979 506 G HA2 -0.231 3.731 3.960 0.004 0.000 0.238 506 G HA3 -0.231 3.731 3.960 0.004 0.000 0.238 506 G C -0.424 174.550 174.900 0.124 0.000 1.805 506 G CA -0.508 44.641 45.100 0.082 0.000 1.389 506 G HN 0.386 nan 8.290 nan 0.000 0.517 507 N N 2.203 120.994 118.700 0.153 0.000 1.660 507 N HA -0.089 4.653 4.740 0.004 0.000 0.338 507 N C 0.423 176.074 175.510 0.235 0.000 1.283 507 N CA 0.844 54.037 53.050 0.238 0.000 0.804 507 N CB 0.104 38.732 38.487 0.236 0.000 1.049 507 N HN 0.366 nan 8.380 nan 0.000 0.511 508 R N 3.578 124.142 120.500 0.107 0.000 2.459 508 R HA 0.126 4.469 4.340 0.004 0.000 0.281 508 R C -1.298 174.587 176.300 -0.692 0.000 1.050 508 R CA -1.468 54.465 56.100 -0.277 0.000 1.055 508 R CB 0.641 30.739 30.300 -0.336 0.000 1.045 508 R HN 0.458 nan 8.270 nan 0.000 0.495 509 P HA -0.067 nan 4.420 nan 0.000 0.236 509 P C -0.333 176.494 177.300 -0.788 0.000 1.172 509 P CA 0.914 63.285 63.100 -1.215 0.000 0.759 509 P CB 0.344 30.908 31.700 -1.893 0.000 0.843 510 E N -1.240 118.330 120.200 -1.049 0.000 2.502 510 E HA -0.045 4.307 4.350 0.004 0.000 0.194 510 E C 1.317 177.718 176.600 -0.333 0.000 1.062 510 E CA 0.637 56.578 56.400 -0.765 0.000 0.867 510 E CB -0.719 28.422 29.700 -0.931 0.000 0.888 510 E HN 0.535 nan 8.360 nan 0.000 0.510 511 W N -0.067 121.225 121.300 -0.014 0.000 2.863 511 W HA 0.089 4.751 4.660 0.004 0.000 0.258 511 W C 1.443 178.065 176.519 0.172 0.000 1.298 511 W CA -0.525 56.862 57.345 0.071 0.000 1.451 511 W CB -0.033 29.478 29.460 0.085 0.000 1.107 511 W HN 0.030 nan 8.180 nan 0.000 0.641 512 M N 0.501 120.286 119.600 0.309 0.000 2.426 512 M HA -0.076 4.407 4.480 0.004 0.000 0.261 512 M C 0.468 177.035 176.300 0.445 0.000 1.068 512 M CA 1.234 56.794 55.300 0.433 0.000 1.066 512 M CB -1.388 31.373 32.600 0.268 0.000 1.399 512 M HN -0.052 nan 8.290 nan 0.000 0.449 513 I N 0.379 121.119 120.570 0.284 0.000 2.396 513 I HA 0.182 4.355 4.170 0.004 0.000 0.292 513 I C -0.125 176.115 176.117 0.205 0.000 0.999 513 I CA -0.213 61.204 61.300 0.194 0.000 1.310 513 I CB 0.799 38.857 38.000 0.097 0.000 1.404 513 I HN -0.059 nan 8.210 nan 0.000 0.496 514 L N 6.064 127.372 121.223 0.142 0.000 2.280 514 L HA 0.352 4.695 4.340 0.004 0.000 0.287 514 L C 0.722 177.632 176.870 0.067 0.000 1.023 514 L CA 0.049 54.955 54.840 0.111 0.000 0.819 514 L CB 0.948 43.044 42.059 0.062 0.000 1.212 514 L HN 0.770 nan 8.230 nan 0.000 0.420 515 E N 2.179 122.418 120.200 0.065 0.000 2.572 515 E HA 0.394 4.747 4.350 0.004 0.000 0.220 515 E C 0.045 176.665 176.600 0.033 0.000 0.945 515 E CA -0.276 56.148 56.400 0.040 0.000 1.070 515 E CB 1.074 30.794 29.700 0.034 0.000 1.090 515 E HN 0.434 nan 8.360 nan 0.000 0.506 516 A N 1.227 124.070 122.820 0.038 0.000 2.385 516 A HA 0.537 4.860 4.320 0.004 0.000 0.290 516 A C -0.934 176.704 177.584 0.089 0.000 1.094 516 A CA -0.686 51.376 52.037 0.043 0.000 0.729 516 A CB 1.634 20.604 19.000 -0.051 0.000 1.194 516 A HN 0.071 nan 8.150 nan 0.000 0.442 517 V N 3.952 123.939 119.914 0.122 0.000 2.333 517 V HA 0.343 4.466 4.120 0.004 0.000 0.274 517 V C -2.430 173.801 176.094 0.229 0.000 1.028 517 V CA -1.707 60.677 62.300 0.139 0.000 0.851 517 V CB 1.089 32.970 31.823 0.097 0.000 1.000 517 V HN 0.736 nan 8.190 nan 0.000 0.456 518 P HA 0.182 nan 4.420 nan 0.000 0.271 518 P C -0.433 177.059 177.300 0.319 0.000 1.220 518 P CA 0.016 63.328 63.100 0.353 0.000 0.768 518 P CB 0.809 32.776 31.700 0.446 0.000 0.848 519 V N 5.266 125.366 119.914 0.310 0.000 2.439 519 V HA 0.185 4.307 4.120 0.004 0.000 0.282 519 V C 0.664 176.813 176.094 0.092 0.000 1.039 519 V CA -0.671 61.749 62.300 0.199 0.000 0.913 519 V CB 1.141 33.000 31.823 0.061 0.000 0.983 519 V HN 0.469 nan 8.190 nan 0.000 0.460 520 L N 8.011 129.242 121.223 0.012 0.000 2.467 520 L HA 0.390 4.732 4.340 0.004 0.000 0.270 520 L C -2.104 174.602 176.870 -0.273 0.000 1.205 520 L CA -0.805 54.001 54.840 -0.057 0.000 0.828 520 L CB 0.710 42.768 42.059 -0.002 0.000 1.101 520 L HN 0.429 nan 8.230 nan 0.000 0.479 521 P HA -0.017 nan 4.420 nan 0.000 0.270 521 P C -2.323 174.691 177.300 -0.476 0.000 1.216 521 P CA -0.483 62.422 63.100 -0.325 0.000 0.788 521 P CB -0.009 31.639 31.700 -0.085 0.000 0.883 522 P HA -0.075 nan 4.420 nan 0.000 0.216 522 P C 0.809 178.190 177.300 0.135 0.000 1.156 522 P CA 1.313 64.292 63.100 -0.202 0.000 0.855 522 P CB -0.006 31.698 31.700 0.006 0.000 0.786 523 D N -0.482 119.947 120.400 0.048 0.000 2.144 523 D HA -0.127 4.515 4.640 0.004 0.000 0.199 523 D C 2.039 178.359 176.300 0.033 0.000 0.984 523 D CA 0.871 54.896 54.000 0.043 0.000 0.834 523 D CB -0.735 40.076 40.800 0.018 0.000 0.955 523 D HN 0.102 nan 8.370 nan 0.000 0.465 524 L N 0.743 121.971 121.223 0.007 0.000 1.971 524 L HA -0.164 4.178 4.340 0.004 0.000 0.215 524 L C 1.272 178.154 176.870 0.019 0.000 1.072 524 L CA 1.185 56.026 54.840 0.001 0.000 0.758 524 L CB -0.053 41.992 42.059 -0.024 0.000 0.889 524 L HN 0.046 nan 8.230 nan 0.000 0.433 525 R N 0.917 121.436 120.500 0.031 0.000 2.287 525 R HA 0.288 4.631 4.340 0.004 0.000 0.327 525 R C -2.747 173.641 176.300 0.148 0.000 1.109 525 R CA -2.408 53.731 56.100 0.066 0.000 1.013 525 R CB -0.556 29.771 30.300 0.046 0.000 1.126 525 R HN 0.013 nan 8.270 nan 0.000 0.503 526 P HA -0.100 nan 4.420 nan 0.000 0.257 526 P C -0.497 176.836 177.300 0.055 0.000 1.162 526 P CA 0.322 63.444 63.100 0.036 0.000 0.762 526 P CB 0.275 31.972 31.700 -0.005 0.000 0.753 527 M N 5.427 125.003 119.600 -0.040 0.000 2.561 527 M HA 0.237 4.719 4.480 0.004 0.000 0.266 527 M C -1.373 174.845 176.300 -0.137 0.000 1.080 527 M CA -0.439 54.840 55.300 -0.036 0.000 0.993 527 M CB 0.224 32.714 32.600 -0.183 0.000 1.303 527 M HN -0.063 nan 8.290 nan 0.000 0.462 528 V N 1.814 121.594 119.914 -0.223 0.000 2.850 528 V HA 0.520 4.643 4.120 0.004 0.000 0.315 528 V C -0.241 175.312 176.094 -0.901 0.000 1.064 528 V CA -0.899 61.157 62.300 -0.407 0.000 0.979 528 V CB 1.902 33.578 31.823 -0.245 0.000 1.039 528 V HN 0.625 nan 8.190 nan 0.000 0.452 529 Q N 1.667 120.944 119.800 -0.871 0.000 2.337 529 Q HA 0.395 4.738 4.340 0.004 0.000 0.255 529 Q C -0.418 175.319 176.000 -0.437 0.000 0.997 529 Q CA 0.060 55.306 55.803 -0.927 0.000 0.925 529 Q CB 1.231 29.672 28.738 -0.496 0.000 1.212 529 Q HN 0.499 nan 8.270 nan 0.000 0.436 530 V N 2.836 122.548 119.914 -0.337 0.000 2.504 530 V HA 0.257 4.380 4.120 0.004 0.000 0.215 530 V C -0.121 175.925 176.094 -0.081 0.000 1.123 530 V CA 0.539 62.748 62.300 -0.153 0.000 1.143 530 V CB 0.074 31.844 31.823 -0.088 0.000 0.743 530 V HN 0.815 nan 8.190 nan 0.000 0.494 531 D N -1.559 118.825 120.400 -0.027 0.000 2.934 531 D HA 0.509 5.152 4.640 0.004 0.000 0.230 531 D C 0.597 176.916 176.300 0.031 0.000 1.204 531 D CA 0.535 54.533 54.000 -0.003 0.000 0.873 531 D CB 1.628 42.425 40.800 -0.005 0.000 1.645 531 D HN 0.567 nan 8.370 nan 0.000 0.502 532 G N 1.128 109.948 108.800 0.033 0.000 2.228 532 G HA2 -0.204 3.758 3.960 0.004 0.000 0.270 532 G HA3 -0.204 3.758 3.960 0.004 0.000 0.270 532 G C 0.967 175.914 174.900 0.079 0.000 0.976 532 G CA 0.867 45.994 45.100 0.045 0.000 0.636 532 G HN 1.496 nan 8.290 nan 0.000 0.542 533 G N -1.586 107.284 108.800 0.118 0.000 2.273 533 G HA2 -0.045 3.917 3.960 0.004 0.000 0.162 533 G HA3 -0.045 3.917 3.960 0.004 0.000 0.162 533 G C 0.199 175.297 174.900 0.329 0.000 1.006 533 G CA 0.500 45.733 45.100 0.222 0.000 0.704 533 G HN 0.832 nan 8.290 nan 0.000 0.487 534 R N -0.464 120.159 120.500 0.206 0.000 2.590 534 R HA 0.553 4.895 4.340 0.004 0.000 0.274 534 R C -0.786 175.684 176.300 0.284 0.000 1.061 534 R CA 0.275 56.499 56.100 0.208 0.000 1.081 534 R CB 0.305 30.658 30.300 0.088 0.000 0.984 534 R HN 0.065 nan 8.270 nan 0.000 0.448 535 F N 0.797 120.752 119.950 0.009 0.000 2.493 535 F HA 0.467 4.996 4.527 0.004 0.000 0.329 535 F C -0.126 175.679 175.800 0.009 0.000 1.126 535 F CA -0.836 57.167 58.000 0.006 0.000 0.937 535 F CB 2.005 41.011 39.000 0.011 0.000 1.146 535 F HN 0.528 nan 8.300 nan 0.000 0.442 536 A N 2.405 125.230 122.820 0.009 0.000 2.288 536 A HA 0.667 4.990 4.320 0.004 0.000 0.320 536 A C -0.321 177.289 177.584 0.042 0.000 1.217 536 A CA -0.516 51.535 52.037 0.023 0.000 0.840 536 A CB 0.944 19.928 19.000 -0.027 0.000 1.179 536 A HN 0.653 nan 8.150 nan 0.000 0.504 537 T N 0.961 115.567 114.554 0.086 0.000 2.841 537 T HA 0.512 4.865 4.350 0.004 0.000 0.283 537 T C 0.162 174.914 174.700 0.087 0.000 1.000 537 T CA -0.193 61.975 62.100 0.113 0.000 0.977 537 T CB 1.175 70.150 68.868 0.178 0.000 0.979 537 T HN 1.026 nan 8.240 nan 0.000 0.446 538 S N 3.018 118.770 115.700 0.087 0.000 2.546 538 S HA 0.046 4.519 4.470 0.004 0.000 0.290 538 S C 0.922 175.561 174.600 0.066 0.000 1.290 538 S CA -0.043 58.195 58.200 0.063 0.000 1.069 538 S CB -0.260 62.974 63.200 0.058 0.000 0.846 538 S HN 0.784 nan 8.310 nan 0.000 0.495 539 D N 3.836 124.263 120.400 0.045 0.000 2.280 539 D HA -0.142 4.501 4.640 0.004 0.000 0.206 539 D C 1.564 177.889 176.300 0.041 0.000 0.988 539 D CA 0.835 54.856 54.000 0.036 0.000 0.886 539 D CB -0.154 40.655 40.800 0.016 0.000 0.914 539 D HN 0.461 nan 8.370 nan 0.000 0.473 540 L N 0.828 122.084 121.223 0.056 0.000 2.043 540 L HA -0.224 4.119 4.340 0.004 0.000 0.212 540 L C 1.764 178.740 176.870 0.177 0.000 1.075 540 L CA 1.599 56.493 54.840 0.091 0.000 0.752 540 L CB -0.481 41.660 42.059 0.136 0.000 0.891 540 L HN 0.100 nan 8.230 nan 0.000 0.432 541 N N -0.280 118.510 118.700 0.149 0.000 2.166 541 N HA -0.179 4.564 4.740 0.004 0.000 0.186 541 N C 1.367 176.942 175.510 0.109 0.000 1.019 541 N CA 1.614 54.740 53.050 0.127 0.000 0.856 541 N CB -0.469 38.067 38.487 0.081 0.000 0.993 541 N HN 0.435 nan 8.380 nan 0.000 0.426 542 D N 0.994 121.437 120.400 0.072 0.000 2.144 542 D HA -0.083 4.560 4.640 0.004 0.000 0.199 542 D C 2.192 178.504 176.300 0.020 0.000 0.984 542 D CA 0.553 54.578 54.000 0.042 0.000 0.834 542 D CB -0.457 40.358 40.800 0.025 0.000 0.955 542 D HN 0.254 nan 8.370 nan 0.000 0.465 543 L N -0.708 120.512 121.223 -0.004 0.000 2.056 543 L HA -0.148 4.195 4.340 0.004 0.000 0.207 543 L C 2.317 179.121 176.870 -0.110 0.000 1.078 543 L CA 0.934 55.724 54.840 -0.084 0.000 0.749 543 L CB -0.528 41.435 42.059 -0.159 0.000 0.901 543 L HN -0.020 nan 8.230 nan 0.000 0.433 544 Y N 0.522 120.792 120.300 -0.050 0.000 2.145 544 Y HA -0.217 4.336 4.550 0.004 0.000 0.286 544 Y C 2.832 178.708 175.900 -0.040 0.000 1.145 544 Y CA 1.387 59.455 58.100 -0.053 0.000 1.148 544 Y CB -0.279 38.132 38.460 -0.082 0.000 0.981 544 Y HN 0.006 nan 8.280 nan 0.000 0.507 545 R N -0.366 120.210 120.500 0.127 0.000 2.096 545 R HA -0.199 4.144 4.340 0.004 0.000 0.240 545 R C 2.312 178.633 176.300 0.035 0.000 1.139 545 R CA 1.348 57.487 56.100 0.066 0.000 0.952 545 R CB -0.327 29.999 30.300 0.044 0.000 0.854 545 R HN 0.243 nan 8.270 nan 0.000 0.436 546 R N 0.967 121.473 120.500 0.011 0.000 2.115 546 R HA -0.199 4.144 4.340 0.004 0.000 0.239 546 R C 2.421 178.715 176.300 -0.011 0.000 1.133 546 R CA 1.587 57.680 56.100 -0.012 0.000 0.935 546 R CB -1.115 29.162 30.300 -0.037 0.000 0.853 546 R HN 0.239 nan 8.270 nan 0.000 0.433 547 L N 1.250 122.460 121.223 -0.023 0.000 1.970 547 L HA -0.175 4.168 4.340 0.004 0.000 0.212 547 L C 2.208 179.091 176.870 0.021 0.000 1.071 547 L CA 1.864 56.695 54.840 -0.015 0.000 0.751 547 L CB -0.793 41.240 42.059 -0.043 0.000 0.889 547 L HN 0.041 nan 8.230 nan 0.000 0.432 548 I N 0.404 121.004 120.570 0.051 0.000 2.113 548 I HA -0.371 3.802 4.170 0.004 0.000 0.242 548 I C 2.554 178.689 176.117 0.030 0.000 1.064 548 I CA 2.102 63.434 61.300 0.053 0.000 1.320 548 I CB -1.905 36.132 38.000 0.062 0.000 1.028 548 I HN 0.552 nan 8.210 nan 0.000 0.406 549 N N 0.188 118.901 118.700 0.023 0.000 2.043 549 N HA -0.211 4.532 4.740 0.004 0.000 0.193 549 N C 2.047 177.563 175.510 0.010 0.000 1.037 549 N CA 1.102 54.159 53.050 0.013 0.000 0.851 549 N CB 0.123 38.614 38.487 0.008 0.000 1.027 549 N HN 0.229 nan 8.380 nan 0.000 0.422 550 R N 1.309 121.813 120.500 0.008 0.000 2.097 550 R HA -0.127 4.216 4.340 0.004 0.000 0.236 550 R C 1.901 178.208 176.300 0.012 0.000 1.135 550 R CA 1.196 57.300 56.100 0.007 0.000 0.934 550 R CB -1.584 28.718 30.300 0.002 0.000 0.846 550 R HN 0.358 nan 8.270 nan 0.000 0.431 551 N N 1.002 119.711 118.700 0.016 0.000 2.036 551 N HA -0.177 4.565 4.740 0.004 0.000 0.195 551 N C 1.323 176.843 175.510 0.017 0.000 1.037 551 N CA 2.013 55.075 53.050 0.020 0.000 0.855 551 N CB -0.478 38.026 38.487 0.027 0.000 1.033 551 N HN 0.186 nan 8.380 nan 0.000 0.423 552 N N 0.374 119.084 118.700 0.017 0.000 2.025 552 N HA -0.098 4.645 4.740 0.004 0.000 0.194 552 N C 1.685 177.201 175.510 0.010 0.000 1.044 552 N CA 1.111 54.169 53.050 0.013 0.000 0.851 552 N CB -0.319 38.175 38.487 0.012 0.000 1.036 552 N HN 0.257 nan 8.380 nan 0.000 0.422 553 R N -0.024 120.481 120.500 0.009 0.000 2.133 553 R HA -0.155 4.188 4.340 0.004 0.000 0.247 553 R C 1.989 178.294 176.300 0.008 0.000 1.151 553 R CA 0.931 57.035 56.100 0.007 0.000 0.971 553 R CB -0.594 29.709 30.300 0.005 0.000 0.866 553 R HN 0.231 nan 8.270 nan 0.000 0.447 554 L N 1.508 122.737 121.223 0.010 0.000 1.976 554 L HA -0.187 4.155 4.340 0.004 0.000 0.209 554 L C 1.807 178.684 176.870 0.011 0.000 1.071 554 L CA 1.890 56.737 54.840 0.012 0.000 0.746 554 L CB -0.448 41.620 42.059 0.014 0.000 0.890 554 L HN -0.057 nan 8.230 nan 0.000 0.432 555 K N -0.139 120.268 120.400 0.012 0.000 2.052 555 K HA -0.282 4.041 4.320 0.004 0.000 0.215 555 K C 2.103 178.709 176.600 0.009 0.000 1.053 555 K CA 2.464 58.757 56.287 0.011 0.000 0.934 555 K CB -0.379 32.127 32.500 0.010 0.000 0.717 555 K HN 0.382 nan 8.250 nan 0.000 0.450 556 K N 0.825 121.230 120.400 0.008 0.000 2.057 556 K HA -0.106 4.217 4.320 0.004 0.000 0.207 556 K C 2.210 178.814 176.600 0.007 0.000 1.049 556 K CA 1.023 57.314 56.287 0.006 0.000 0.931 556 K CB -0.207 32.297 32.500 0.005 0.000 0.714 556 K HN 0.137 nan 8.250 nan 0.000 0.440 557 L N 1.197 122.425 121.223 0.008 0.000 2.191 557 L HA -0.159 4.183 4.340 0.004 0.000 0.212 557 L C 2.011 178.887 176.870 0.010 0.000 1.103 557 L CA 0.935 55.780 54.840 0.008 0.000 0.769 557 L CB -0.016 42.048 42.059 0.008 0.000 0.908 557 L HN 0.224 nan 8.230 nan 0.000 0.438 558 L N -1.237 119.993 121.223 0.011 0.000 2.179 558 L HA -0.076 4.267 4.340 0.004 0.000 0.208 558 L C 2.678 179.556 176.870 0.013 0.000 1.096 558 L CA 0.835 55.684 54.840 0.014 0.000 0.779 558 L CB -0.565 41.503 42.059 0.015 0.000 0.922 558 L HN 0.232 nan 8.230 nan 0.000 0.443 559 A N -0.793 122.033 122.820 0.010 0.000 1.930 559 A HA -0.138 4.184 4.320 0.004 0.000 0.215 559 A C 2.231 179.820 177.584 0.008 0.000 1.176 559 A CA 0.784 52.827 52.037 0.009 0.000 0.632 559 A CB -0.217 18.787 19.000 0.007 0.000 0.819 559 A HN 0.351 nan 8.150 nan 0.000 0.445 560 Q N -0.635 119.169 119.800 0.007 0.000 2.002 560 Q HA 0.102 4.444 4.340 0.004 0.000 0.204 560 Q C 0.838 176.842 176.000 0.006 0.000 0.988 560 Q CA 1.354 57.160 55.803 0.005 0.000 0.843 560 Q CB -0.222 28.519 28.738 0.004 0.000 0.908 560 Q HN 0.678 nan 8.270 nan 0.000 0.420 561 G N -1.214 107.590 108.800 0.007 0.000 2.402 561 G HA2 0.417 4.379 3.960 0.004 0.000 0.301 561 G HA3 0.417 4.379 3.960 0.004 0.000 0.301 561 G C -1.917 172.989 174.900 0.010 0.000 1.615 561 G CA -0.264 44.841 45.100 0.008 0.000 0.889 561 G HN 0.239 nan 8.290 nan 0.000 0.647 562 A N 2.609 125.437 122.820 0.014 0.000 2.431 562 A HA 0.833 5.156 4.320 0.004 0.000 0.318 562 A C -2.258 175.336 177.584 0.016 0.000 1.330 562 A CA -1.386 50.660 52.037 0.016 0.000 0.804 562 A CB 0.929 19.942 19.000 0.022 0.000 1.135 562 A HN 0.538 nan 8.150 nan 0.000 0.483 563 P HA 0.195 nan 4.420 nan 0.000 0.287 563 P C 0.515 177.821 177.300 0.011 0.000 1.294 563 P CA -0.144 62.962 63.100 0.009 0.000 0.776 563 P CB 1.548 33.251 31.700 0.004 0.000 0.889 564 E N 2.220 122.428 120.200 0.014 0.000 2.095 564 E HA -0.222 4.131 4.350 0.004 0.000 0.212 564 E C 1.754 178.357 176.600 0.005 0.000 1.044 564 E CA 1.706 58.114 56.400 0.014 0.000 0.857 564 E CB -0.632 29.077 29.700 0.015 0.000 0.764 564 E HN 0.507 nan 8.360 nan 0.000 0.462 565 I N 0.758 121.329 120.570 0.001 0.000 2.113 565 I HA -0.303 3.870 4.170 0.004 0.000 0.242 565 I C 2.486 178.604 176.117 0.001 0.000 1.064 565 I CA 1.405 62.704 61.300 -0.002 0.000 1.320 565 I CB -0.553 37.446 38.000 -0.002 0.000 1.028 565 I HN 0.088 nan 8.210 nan 0.000 0.406 566 I N 0.061 120.633 120.570 0.003 0.000 2.546 566 I HA -0.198 3.974 4.170 0.004 0.000 0.255 566 I C 2.327 178.449 176.117 0.008 0.000 1.163 566 I CA 1.239 62.542 61.300 0.005 0.000 1.457 566 I CB -0.437 37.566 38.000 0.004 0.000 1.092 566 I HN 0.205 nan 8.210 nan 0.000 0.434 567 I N 0.405 120.981 120.570 0.009 0.000 2.233 567 I HA -0.210 3.963 4.170 0.004 0.000 0.243 567 I C 2.761 178.886 176.117 0.013 0.000 1.093 567 I CA 0.990 62.297 61.300 0.013 0.000 1.380 567 I CB -0.409 37.601 38.000 0.016 0.000 1.067 567 I HN 0.101 nan 8.210 nan 0.000 0.413 568 R N 1.714 122.219 120.500 0.010 0.000 2.070 568 R HA -0.163 4.180 4.340 0.004 0.000 0.232 568 R C 2.211 178.523 176.300 0.020 0.000 1.138 568 R CA 1.684 57.791 56.100 0.011 0.000 0.936 568 R CB -0.868 29.429 30.300 -0.005 0.000 0.839 568 R HN 0.235 nan 8.270 nan 0.000 0.429 569 N N 0.252 118.961 118.700 0.014 0.000 2.133 569 N HA -0.211 4.532 4.740 0.004 0.000 0.193 569 N C 1.143 176.663 175.510 0.016 0.000 1.012 569 N CA 1.746 54.805 53.050 0.014 0.000 0.871 569 N CB -0.025 38.466 38.487 0.007 0.000 1.011 569 N HN 0.276 nan 8.380 nan 0.000 0.435 570 E N 0.815 121.025 120.200 0.015 0.000 2.033 570 E HA -0.024 4.329 4.350 0.004 0.000 0.189 570 E C 1.915 178.530 176.600 0.024 0.000 0.979 570 E CA 0.658 57.067 56.400 0.015 0.000 0.802 570 E CB -0.381 29.327 29.700 0.012 0.000 0.763 570 E HN 0.425 nan 8.360 nan 0.000 0.449 571 K N 0.834 121.252 120.400 0.030 0.000 2.218 571 K HA -0.140 4.182 4.320 0.004 0.000 0.205 571 K C 2.205 178.848 176.600 0.071 0.000 1.046 571 K CA 0.928 57.240 56.287 0.043 0.000 0.933 571 K CB -0.112 32.410 32.500 0.038 0.000 0.728 571 K HN 0.050 nan 8.250 nan 0.000 0.454 572 R N 0.382 120.924 120.500 0.070 0.000 2.075 572 R HA -0.085 4.258 4.340 0.004 0.000 0.230 572 R C 2.365 178.693 176.300 0.047 0.000 1.140 572 R CA 1.691 57.846 56.100 0.092 0.000 0.928 572 R CB -0.345 29.991 30.300 0.061 0.000 0.834 572 R HN 0.070 nan 8.270 nan 0.000 0.429 573 M N 0.753 120.361 119.600 0.013 0.000 2.144 573 M HA -0.188 4.294 4.480 0.004 0.000 0.260 573 M C 2.215 178.514 176.300 -0.003 0.000 1.067 573 M CA 1.458 56.751 55.300 -0.012 0.000 1.095 573 M CB -0.481 32.113 32.600 -0.010 0.000 1.365 573 M HN 0.211 nan 8.290 nan 0.000 0.406 574 L N -0.325 120.909 121.223 0.019 0.000 1.970 574 L HA -0.275 4.068 4.340 0.004 0.000 0.212 574 L C 2.301 179.196 176.870 0.040 0.000 1.071 574 L CA 1.917 56.771 54.840 0.023 0.000 0.751 574 L CB -0.958 41.120 42.059 0.031 0.000 0.889 574 L HN 0.208 nan 8.230 nan 0.000 0.432 575 Q N 0.137 119.994 119.800 0.095 0.000 2.029 575 Q HA -0.303 4.039 4.340 0.004 0.000 0.209 575 Q C 2.352 178.439 176.000 0.144 0.000 0.999 575 Q CA 2.562 58.477 55.803 0.187 0.000 0.857 575 Q CB -0.522 28.456 28.738 0.401 0.000 0.926 575 Q HN 0.657 nan 8.270 nan 0.000 0.415 576 E N -0.863 119.352 120.200 0.025 0.000 2.070 576 E HA -0.281 4.071 4.350 0.004 0.000 0.197 576 E C 1.793 178.358 176.600 -0.058 0.000 1.004 576 E CA 1.267 57.608 56.400 -0.098 0.000 0.805 576 E CB -0.226 29.366 29.700 -0.180 0.000 0.744 576 E HN 0.427 nan 8.360 nan 0.000 0.451 577 A N 0.696 123.489 122.820 -0.046 0.000 1.873 577 A HA -0.206 4.116 4.320 0.004 0.000 0.218 577 A C 2.505 180.038 177.584 -0.085 0.000 1.193 577 A CA 2.064 54.062 52.037 -0.064 0.000 0.629 577 A CB -0.965 18.005 19.000 -0.049 0.000 0.826 577 A HN 0.206 nan 8.150 nan 0.000 0.447 578 V N 0.935 120.816 119.914 -0.055 0.000 2.453 578 V HA -0.295 3.827 4.120 0.004 0.000 0.252 578 V C 2.008 178.037 176.094 -0.108 0.000 1.068 578 V CA 2.261 64.512 62.300 -0.082 0.000 1.070 578 V CB -0.963 30.841 31.823 -0.032 0.000 0.664 578 V HN 0.543 nan 8.190 nan 0.000 0.461 579 D N 0.554 120.922 120.400 -0.052 0.000 2.123 579 D HA -0.067 4.576 4.640 0.004 0.000 0.200 579 D C 2.326 178.557 176.300 -0.115 0.000 0.976 579 D CA 1.492 55.458 54.000 -0.057 0.000 0.831 579 D CB -0.366 40.447 40.800 0.022 0.000 0.974 579 D HN 0.441 nan 8.370 nan 0.000 0.469 580 A N 2.124 124.875 122.820 -0.116 0.000 1.881 580 A HA -0.238 4.085 4.320 0.004 0.000 0.219 580 A C 2.444 179.922 177.584 -0.175 0.000 1.215 580 A CA 1.859 53.819 52.037 -0.130 0.000 0.648 580 A CB -1.116 17.811 19.000 -0.122 0.000 0.832 580 A HN 0.266 nan 8.150 nan 0.000 0.455 581 L N -1.141 119.936 121.223 -0.244 0.000 1.994 581 L HA -0.182 4.161 4.340 0.004 0.000 0.208 581 L C 2.677 179.385 176.870 -0.269 0.000 1.071 581 L CA 1.447 56.099 54.840 -0.314 0.000 0.745 581 L CB -1.255 40.494 42.059 -0.517 0.000 0.892 581 L HN 0.353 nan 8.230 nan 0.000 0.431 582 L N -0.466 120.585 121.223 -0.287 0.000 1.943 582 L HA -0.124 4.219 4.340 0.004 0.000 0.215 582 L C 1.065 177.738 176.870 -0.328 0.000 1.074 582 L CA 1.533 56.169 54.840 -0.341 0.000 0.759 582 L CB -0.268 41.562 42.059 -0.382 0.000 0.888 582 L HN 0.407 nan 8.230 nan 0.000 0.433 583 D N -1.093 119.163 120.400 -0.240 0.000 2.855 583 D HA 0.138 4.781 4.640 0.004 0.000 0.241 583 D C -1.370 174.870 176.300 -0.100 0.000 1.277 583 D CA -0.436 53.459 54.000 -0.175 0.000 0.918 583 D CB 1.375 42.075 40.800 -0.166 0.000 1.462 583 D HN -0.096 nan 8.370 nan 0.000 0.559 584 N N 1.052 119.703 118.700 -0.081 0.000 2.479 584 N HA 0.532 5.274 4.740 0.004 0.000 0.285 584 N C 0.989 176.480 175.510 -0.031 0.000 1.075 584 N CA 1.211 54.226 53.050 -0.058 0.000 0.967 584 N CB 1.411 39.864 38.487 -0.056 0.000 1.137 584 N HN 0.714 nan 8.380 nan 0.000 0.472 585 G N 2.041 110.826 108.800 -0.026 0.000 2.234 585 G HA2 -0.252 3.711 3.960 0.004 0.000 0.235 585 G HA3 -0.252 3.711 3.960 0.004 0.000 0.235 585 G C 1.363 176.266 174.900 0.005 0.000 0.997 585 G CA -0.054 45.040 45.100 -0.010 0.000 0.623 585 G HN 0.510 nan 8.290 nan 0.000 0.514 586 R N 0.629 121.137 120.500 0.015 0.000 2.152 586 R HA 0.042 4.385 4.340 0.004 0.000 0.232 586 R C 1.247 177.571 176.300 0.039 0.000 1.117 586 R CA 1.382 57.507 56.100 0.042 0.000 0.981 586 R CB -0.171 30.170 30.300 0.068 0.000 0.870 586 R HN 0.559 nan 8.270 nan 0.000 0.451 587 R N -0.405 120.101 120.500 0.009 0.000 2.713 587 R HA 0.237 4.579 4.340 0.004 0.000 0.282 587 R C -0.985 175.279 176.300 -0.059 0.000 1.472 587 R CA 0.462 56.549 56.100 -0.022 0.000 1.060 587 R CB 0.638 30.914 30.300 -0.041 0.000 1.237 587 R HN 0.268 nan 8.270 nan 0.000 0.484 588 G N 1.806 110.580 108.800 -0.044 0.000 2.856 588 G HA2 -0.023 3.939 3.960 0.004 0.000 0.674 588 G HA3 -0.023 3.939 3.960 0.004 0.000 0.674 588 G C -0.932 173.942 174.900 -0.043 0.000 1.519 588 G CA -0.293 44.778 45.100 -0.049 0.000 0.940 588 G HN 0.873 nan 8.290 nan 0.000 0.564 589 A N 2.170 124.967 122.820 -0.037 0.000 2.332 589 A HA 0.836 5.159 4.320 0.004 0.000 0.300 589 A C -1.831 175.731 177.584 -0.035 0.000 1.153 589 A CA -1.124 50.894 52.037 -0.033 0.000 0.764 589 A CB 1.541 20.528 19.000 -0.022 0.000 1.174 589 A HN 0.663 nan 8.150 nan 0.000 0.467 590 P HA 0.427 nan 4.420 nan 0.000 0.272 590 P C -0.732 176.551 177.300 -0.028 0.000 1.230 590 P CA -0.086 62.990 63.100 -0.039 0.000 0.788 590 P CB 0.958 32.629 31.700 -0.048 0.000 0.949 591 V N 0.183 120.083 119.914 -0.023 0.000 2.841 591 V HA 0.332 4.455 4.120 0.004 0.000 0.310 591 V C -0.004 176.083 176.094 -0.011 0.000 1.090 591 V CA -0.777 61.513 62.300 -0.016 0.000 0.930 591 V CB 1.910 33.725 31.823 -0.013 0.000 1.014 591 V HN 0.460 nan 8.190 nan 0.000 0.425 592 T N 2.607 117.158 114.554 -0.006 0.000 2.926 592 T HA 0.146 4.499 4.350 0.004 0.000 0.307 592 T C 0.387 175.086 174.700 -0.001 0.000 1.059 592 T CA -0.003 62.097 62.100 -0.001 0.000 1.122 592 T CB 0.112 68.984 68.868 0.006 0.000 0.972 592 T HN 0.718 nan 8.240 nan 0.000 0.545 593 N N 2.310 121.010 118.700 0.000 0.000 2.283 593 N HA 0.064 4.807 4.740 0.004 0.000 0.236 593 N C -2.414 173.096 175.510 0.000 0.000 1.252 593 N CA -1.020 52.029 53.050 -0.001 0.000 0.856 593 N CB -0.186 38.301 38.487 -0.001 0.000 1.099 593 N HN 0.348 nan 8.380 nan 0.000 0.444 594 P HA -0.117 nan 4.420 nan 0.000 0.228 594 P C 0.209 177.510 177.300 0.002 0.000 1.031 594 P CA 0.980 64.080 63.100 -0.000 0.000 0.917 594 P CB -0.320 31.379 31.700 -0.001 0.000 0.847 595 G N 0.960 109.761 108.800 0.002 0.000 4.212 595 G HA2 0.035 3.997 3.960 0.004 0.000 0.199 595 G HA3 0.035 3.997 3.960 0.004 0.000 0.199 595 G C -0.467 174.435 174.900 0.004 0.000 0.986 595 G CA -0.104 44.999 45.100 0.004 0.000 0.985 595 G HN 0.407 nan 8.290 nan 0.000 0.378 596 S N 1.126 116.828 115.700 0.003 0.000 2.737 596 S HA 0.398 4.871 4.470 0.004 0.000 0.269 596 S C -1.928 172.671 174.600 -0.000 0.000 1.150 596 S CA -0.637 57.564 58.200 0.002 0.000 1.077 596 S CB 1.899 65.101 63.200 0.003 0.000 1.075 596 S HN 0.124 nan 8.310 nan 0.000 0.476 597 D N 2.466 122.865 120.400 -0.002 0.000 2.662 597 D HA 0.148 4.791 4.640 0.004 0.000 0.228 597 D C 0.314 176.611 176.300 -0.004 0.000 1.093 597 D CA 0.380 54.377 54.000 -0.004 0.000 1.075 597 D CB 0.096 40.894 40.800 -0.004 0.000 1.122 597 D HN 0.319 nan 8.370 nan 0.000 0.475 598 R N 1.270 121.768 120.500 -0.004 0.000 2.637 598 R HA 0.507 4.850 4.340 0.004 0.000 0.291 598 R C -2.736 173.560 176.300 -0.007 0.000 0.963 598 R CA -2.202 53.896 56.100 -0.004 0.000 0.901 598 R CB 1.376 31.676 30.300 -0.001 0.000 1.160 598 R HN -0.053 nan 8.270 nan 0.000 0.457 599 P HA 0.094 nan 4.420 nan 0.000 0.276 599 P C -0.823 176.468 177.300 -0.014 0.000 1.253 599 P CA -0.121 62.971 63.100 -0.013 0.000 0.766 599 P CB 0.493 32.186 31.700 -0.012 0.000 0.845 600 L N 3.271 124.483 121.223 -0.019 0.000 2.615 600 L HA 0.096 4.438 4.340 0.004 0.000 0.271 600 L C 1.186 178.042 176.870 -0.024 0.000 1.183 600 L CA -0.063 54.766 54.840 -0.018 0.000 0.933 600 L CB -0.350 41.694 42.059 -0.025 0.000 1.199 600 L HN 0.328 nan 8.230 nan 0.000 0.487 601 R N 3.032 123.523 120.500 -0.015 0.000 2.543 601 R HA 0.016 4.358 4.340 0.004 0.000 0.348 601 R C 0.388 176.669 176.300 -0.033 0.000 0.981 601 R CA -0.096 55.994 56.100 -0.016 0.000 1.019 601 R CB 0.183 30.480 30.300 -0.005 0.000 0.944 601 R HN 0.862 nan 8.270 nan 0.000 0.425 602 S N 2.954 118.623 115.700 -0.052 0.000 2.624 602 S HA 0.091 4.564 4.470 0.004 0.000 0.263 602 S C 1.666 176.211 174.600 -0.092 0.000 1.287 602 S CA -0.921 57.226 58.200 -0.088 0.000 0.990 602 S CB 0.881 64.016 63.200 -0.109 0.000 0.950 602 S HN 0.575 nan 8.310 nan 0.000 0.561 603 L N 0.493 121.635 121.223 -0.135 0.000 2.013 603 L HA -0.169 4.174 4.340 0.004 0.000 0.212 603 L C 2.957 179.739 176.870 -0.147 0.000 1.073 603 L CA 1.832 56.588 54.840 -0.139 0.000 0.753 603 L CB -1.516 40.423 42.059 -0.200 0.000 0.890 603 L HN 0.796 nan 8.230 nan 0.000 0.432 604 T N -0.581 113.843 114.554 -0.218 0.000 2.652 604 T HA -0.198 4.155 4.350 0.004 0.000 0.267 604 T C 1.460 176.157 174.700 -0.005 0.000 1.039 604 T CA 1.743 63.748 62.100 -0.158 0.000 1.153 604 T CB -0.347 68.419 68.868 -0.170 0.000 0.863 604 T HN 0.404 nan 8.240 nan 0.000 0.428 605 D N 1.276 121.667 120.400 -0.016 0.000 2.106 605 D HA -0.082 4.561 4.640 0.004 0.000 0.191 605 D C 2.104 178.426 176.300 0.037 0.000 0.997 605 D CA 0.958 54.969 54.000 0.019 0.000 0.834 605 D CB -0.636 40.165 40.800 0.001 0.000 0.956 605 D HN 0.391 nan 8.370 nan 0.000 0.448 606 I N 0.371 120.951 120.570 0.016 0.000 2.236 606 I HA -0.267 3.906 4.170 0.004 0.000 0.249 606 I C 2.341 178.493 176.117 0.059 0.000 1.102 606 I CA 0.998 62.312 61.300 0.024 0.000 1.365 606 I CB -0.217 37.784 38.000 0.002 0.000 1.051 606 I HN -0.027 nan 8.210 nan 0.000 0.420 607 L N -0.708 120.575 121.223 0.100 0.000 2.446 607 L HA 0.066 4.409 4.340 0.004 0.000 0.219 607 L C 1.219 178.260 176.870 0.285 0.000 1.116 607 L CA 0.028 54.993 54.840 0.208 0.000 0.844 607 L CB 0.118 42.363 42.059 0.311 0.000 0.970 607 L HN 0.156 nan 8.230 nan 0.000 0.457 608 S N -1.003 114.819 115.700 0.202 0.000 2.648 608 S HA 0.733 5.206 4.470 0.004 0.000 0.305 608 S C 0.083 174.772 174.600 0.149 0.000 1.094 608 S CA 0.063 58.382 58.200 0.200 0.000 0.983 608 S CB 1.511 64.817 63.200 0.178 0.000 1.101 608 S HN 0.407 nan 8.310 nan 0.000 0.514 609 G N 2.856 111.748 108.800 0.153 0.000 2.725 609 G HA2 -0.226 3.736 3.960 0.004 0.000 0.220 609 G HA3 -0.226 3.736 3.960 0.004 0.000 0.220 609 G C 0.410 175.383 174.900 0.121 0.000 1.357 609 G CA 0.351 45.530 45.100 0.132 0.000 0.866 609 G HN 0.985 nan 8.290 nan 0.000 0.548 610 K N 0.198 120.653 120.400 0.092 0.000 2.001 610 K HA -0.219 4.104 4.320 0.004 0.000 0.223 610 K C 1.633 178.268 176.600 0.058 0.000 1.055 610 K CA 2.466 58.791 56.287 0.062 0.000 0.965 610 K CB -0.306 32.210 32.500 0.027 0.000 0.730 610 K HN 0.791 nan 8.250 nan 0.000 0.449 611 Q N 0.109 119.938 119.800 0.048 0.000 2.730 611 Q HA 0.398 4.741 4.340 0.004 0.000 0.244 611 Q C -0.271 175.760 176.000 0.052 0.000 1.176 611 Q CA -0.733 55.096 55.803 0.043 0.000 1.024 611 Q CB 1.627 30.381 28.738 0.026 0.000 1.215 611 Q HN 0.335 nan 8.270 nan 0.000 0.542 612 G N 1.031 109.875 108.800 0.072 0.000 3.251 612 G HA2 0.307 4.270 3.960 0.004 0.000 0.248 612 G HA3 0.307 4.270 3.960 0.004 0.000 0.248 612 G C -0.089 174.856 174.900 0.075 0.000 1.320 612 G CA -0.701 44.450 45.100 0.085 0.000 0.982 612 G HN 0.297 nan 8.290 nan 0.000 0.575 613 R N -1.328 119.223 120.500 0.084 0.000 2.175 613 R HA 0.309 4.652 4.340 0.004 0.000 0.202 613 R C 1.805 178.085 176.300 -0.033 0.000 1.018 613 R CA 0.580 56.683 56.100 0.004 0.000 1.029 613 R CB -0.691 29.581 30.300 -0.046 0.000 0.959 613 R HN 0.377 nan 8.270 nan 0.000 0.480 614 F N 0.207 120.199 119.950 0.071 0.000 2.604 614 F HA 0.092 4.622 4.527 0.004 0.000 0.298 614 F C 2.081 177.910 175.800 0.049 0.000 1.131 614 F CA 0.846 58.887 58.000 0.069 0.000 1.457 614 F CB 0.143 39.200 39.000 0.095 0.000 1.095 614 F HN -0.008 nan 8.300 nan 0.000 0.574 615 R N -0.237 120.389 120.500 0.209 0.000 2.156 615 R HA -0.017 4.326 4.340 0.004 0.000 0.207 615 R C 1.991 178.335 176.300 0.073 0.000 1.040 615 R CA 0.916 57.099 56.100 0.138 0.000 1.013 615 R CB -0.407 29.966 30.300 0.123 0.000 0.931 615 R HN 0.056 nan 8.270 nan 0.000 0.465 616 Q N 0.270 120.096 119.800 0.043 0.000 2.167 616 Q HA -0.019 4.323 4.340 0.004 0.000 0.202 616 Q C 1.113 177.111 176.000 -0.003 0.000 0.970 616 Q CA 1.977 57.788 55.803 0.013 0.000 0.855 616 Q CB -0.114 28.622 28.738 -0.004 0.000 0.911 616 Q HN 0.408 nan 8.270 nan 0.000 0.438 617 N N -0.763 117.925 118.700 -0.021 0.000 2.092 617 N HA -0.097 4.646 4.740 0.004 0.000 0.189 617 N C 1.393 176.902 175.510 -0.003 0.000 1.040 617 N CA 1.018 54.047 53.050 -0.035 0.000 0.845 617 N CB -0.396 38.040 38.487 -0.085 0.000 1.017 617 N HN 0.115 nan 8.380 nan 0.000 0.426 618 L N 0.510 121.750 121.223 0.029 0.000 2.021 618 L HA -0.124 4.219 4.340 0.004 0.000 0.215 618 L C 1.640 178.520 176.870 0.017 0.000 1.074 618 L CA 1.410 56.270 54.840 0.032 0.000 0.760 618 L CB -0.323 41.776 42.059 0.068 0.000 0.889 618 L HN 0.256 nan 8.230 nan 0.000 0.433 619 L N -1.256 119.982 121.223 0.024 0.000 2.607 619 L HA 0.278 4.620 4.340 0.004 0.000 0.228 619 L C 0.957 177.834 176.870 0.012 0.000 1.123 619 L CA 0.170 55.021 54.840 0.018 0.000 0.890 619 L CB -1.176 40.899 42.059 0.026 0.000 1.103 619 L HN 0.358 nan 8.230 nan 0.000 0.468 620 G N 2.423 111.228 108.800 0.007 0.000 2.381 620 G HA2 -0.269 3.693 3.960 0.004 0.000 0.206 620 G HA3 -0.269 3.693 3.960 0.004 0.000 0.206 620 G C 0.653 175.560 174.900 0.012 0.000 0.274 620 G CA 0.208 45.311 45.100 0.004 0.000 1.035 620 G HN 0.375 nan 8.290 nan 0.000 0.449 621 K N 1.720 122.128 120.400 0.014 0.000 2.372 621 K HA 0.138 4.460 4.320 0.004 0.000 0.200 621 K C 1.042 177.659 176.600 0.028 0.000 1.022 621 K CA 0.050 56.350 56.287 0.022 0.000 1.125 621 K CB 1.200 33.712 32.500 0.021 0.000 0.855 621 K HN 0.544 nan 8.250 nan 0.000 0.524 622 R N 1.124 121.638 120.500 0.024 0.000 2.631 622 R HA 0.223 4.565 4.340 0.004 0.000 0.289 622 R C -0.904 175.414 176.300 0.030 0.000 1.303 622 R CA -0.277 55.840 56.100 0.028 0.000 0.989 622 R CB 1.625 31.931 30.300 0.011 0.000 1.208 622 R HN -0.179 nan 8.270 nan 0.000 0.461 623 V N 2.911 122.862 119.914 0.061 0.000 2.740 623 V HA -0.057 4.065 4.120 0.004 0.000 0.303 623 V C 1.056 177.165 176.094 0.025 0.000 1.054 623 V CA 0.308 62.656 62.300 0.080 0.000 1.106 623 V CB 1.176 33.108 31.823 0.182 0.000 0.957 623 V HN 0.730 nan 8.190 nan 0.000 0.486 624 D N 1.478 121.876 120.400 -0.003 0.000 2.162 624 D HA -0.050 4.593 4.640 0.004 0.000 0.205 624 D C 0.451 176.577 176.300 -0.290 0.000 0.964 624 D CA 1.217 55.117 54.000 -0.167 0.000 0.847 624 D CB 0.074 40.740 40.800 -0.224 0.000 0.988 624 D HN 0.649 nan 8.370 nan 0.000 0.480 625 Y N 0.600 120.890 120.300 -0.016 0.000 2.907 625 Y HA 0.322 4.874 4.550 0.004 0.000 0.332 625 Y C 0.208 176.080 175.900 -0.047 0.000 1.211 625 Y CA -0.626 57.443 58.100 -0.052 0.000 1.387 625 Y CB 0.384 38.798 38.460 -0.076 0.000 1.396 625 Y HN -0.165 nan 8.280 nan 0.000 0.519 626 S N 0.302 116.012 115.700 0.018 0.000 2.634 626 S HA 0.994 5.467 4.470 0.004 0.000 0.296 626 S C -0.277 174.268 174.600 -0.091 0.000 1.104 626 S CA -0.542 57.619 58.200 -0.065 0.000 0.920 626 S CB 2.405 65.579 63.200 -0.044 0.000 1.111 626 S HN 0.566 nan 8.310 nan 0.000 0.493 627 G N 0.304 109.014 108.800 -0.149 0.000 2.677 627 G HA2 0.736 4.699 3.960 0.004 0.000 0.291 627 G HA3 0.736 4.699 3.960 0.004 0.000 0.291 627 G C -1.739 173.095 174.900 -0.111 0.000 1.435 627 G CA -1.116 43.927 45.100 -0.095 0.000 0.826 627 G HN 1.084 nan 8.290 nan 0.000 0.491 628 R N -0.624 119.837 120.500 -0.066 0.000 2.523 628 R HA 0.762 5.105 4.340 0.004 0.000 0.278 628 R C -1.442 174.836 176.300 -0.036 0.000 1.150 628 R CA -0.715 55.352 56.100 -0.055 0.000 0.987 628 R CB 1.455 31.729 30.300 -0.044 0.000 1.232 628 R HN 0.678 nan 8.270 nan 0.000 0.424 629 S N 1.526 117.204 115.700 -0.037 0.000 2.794 629 S HA 0.617 5.090 4.470 0.004 0.000 0.299 629 S C -0.824 173.758 174.600 -0.030 0.000 1.179 629 S CA -0.602 57.580 58.200 -0.031 0.000 0.838 629 S CB 1.837 65.018 63.200 -0.032 0.000 1.206 629 S HN 0.400 nan 8.310 nan 0.000 0.523 630 V N 3.102 122.999 119.914 -0.028 0.000 2.732 630 V HA 0.425 4.548 4.120 0.004 0.000 0.297 630 V C 0.348 176.423 176.094 -0.031 0.000 1.060 630 V CA -0.496 61.792 62.300 -0.020 0.000 1.038 630 V CB 0.437 32.250 31.823 -0.016 0.000 1.003 630 V HN 0.720 nan 8.190 nan 0.000 0.481 631 I N 1.674 122.242 120.570 -0.002 0.000 2.677 631 I HA 0.840 5.012 4.170 0.004 0.000 0.305 631 I C -0.597 175.487 176.117 -0.055 0.000 0.988 631 I CA -0.626 60.666 61.300 -0.013 0.000 1.260 631 I CB 1.672 39.706 38.000 0.057 0.000 1.410 631 I HN 0.305 nan 8.210 nan 0.000 0.523 632 V N 4.659 124.438 119.914 -0.225 0.000 2.777 632 V HA 0.200 4.323 4.120 0.004 0.000 0.306 632 V C -0.201 175.452 176.094 -0.735 0.000 1.112 632 V CA -0.831 61.172 62.300 -0.495 0.000 0.917 632 V CB 2.124 33.771 31.823 -0.295 0.000 1.018 632 V HN 0.694 nan 8.190 nan 0.000 0.426 633 V N 4.235 123.349 119.914 -1.333 0.000 2.788 633 V HA 0.493 4.616 4.120 0.004 0.000 0.307 633 V C 0.929 176.788 176.094 -0.391 0.000 1.069 633 V CA 1.362 63.137 62.300 -0.875 0.000 1.173 633 V CB 1.309 32.670 31.823 -0.770 0.000 0.925 633 V HN 1.152 nan 8.190 nan 0.000 0.492 634 G N 6.559 115.227 108.800 -0.221 0.000 4.782 634 G HA2 0.442 4.404 3.960 0.004 0.000 0.327 634 G HA3 0.442 4.404 3.960 0.004 0.000 0.327 634 G C -1.604 173.224 174.900 -0.120 0.000 1.466 634 G CA -0.579 44.428 45.100 -0.156 0.000 1.017 634 G HN 0.712 nan 8.290 nan 0.000 0.543 635 P HA -0.273 nan 4.420 nan 0.000 0.222 635 P C 1.879 179.164 177.300 -0.025 0.000 1.155 635 P CA 1.236 64.370 63.100 0.057 0.000 0.890 635 P CB 0.387 32.095 31.700 0.013 0.000 0.790 636 Q N -1.498 118.293 119.800 -0.016 0.000 2.331 636 Q HA 0.005 4.348 4.340 0.004 0.000 0.203 636 Q C 0.911 176.958 176.000 0.079 0.000 0.944 636 Q CA 0.088 55.934 55.803 0.073 0.000 0.892 636 Q CB -0.621 28.165 28.738 0.079 0.000 0.983 636 Q HN 0.234 nan 8.270 nan 0.000 0.482 637 L N 2.021 123.255 121.223 0.020 0.000 2.529 637 L HA -0.096 4.247 4.340 0.004 0.000 0.287 637 L C -0.186 176.846 176.870 0.269 0.000 1.241 637 L CA 1.062 55.958 54.840 0.093 0.000 0.857 637 L CB 0.399 42.486 42.059 0.047 0.000 1.113 637 L HN -0.127 nan 8.230 nan 0.000 0.504 638 K N 4.216 124.832 120.400 0.361 0.000 2.156 638 K HA 0.280 4.603 4.320 0.004 0.000 0.254 638 K C 1.028 177.845 176.600 0.361 0.000 0.950 638 K CA -0.725 55.804 56.287 0.403 0.000 0.849 638 K CB 1.232 33.872 32.500 0.234 0.000 1.100 638 K HN 0.498 nan 8.250 nan 0.000 0.434 639 L N 0.185 121.372 121.223 -0.061 0.000 2.103 639 L HA -0.279 4.064 4.340 0.004 0.000 0.215 639 L C 2.201 179.114 176.870 0.073 0.000 1.080 639 L CA 1.947 56.681 54.840 -0.177 0.000 0.764 639 L CB -1.783 40.119 42.059 -0.262 0.000 0.890 639 L HN 0.799 nan 8.230 nan 0.000 0.435 640 H N 0.255 119.327 119.070 0.004 0.000 2.387 640 H HA -0.051 4.508 4.556 0.004 0.000 0.299 640 H C 0.961 176.365 175.328 0.126 0.000 1.099 640 H CA 1.765 57.810 56.048 -0.005 0.000 1.315 640 H CB 0.054 29.812 29.762 -0.006 0.000 1.380 640 H HN 0.693 nan 8.280 nan 0.000 0.513 641 Q N -0.969 118.918 119.800 0.144 0.000 2.486 641 Q HA 0.534 4.876 4.340 0.004 0.000 0.274 641 Q C -0.900 175.259 176.000 0.266 0.000 1.076 641 Q CA -0.731 55.144 55.803 0.120 0.000 0.872 641 Q CB 2.475 31.252 28.738 0.064 0.000 1.383 641 Q HN 0.406 nan 8.270 nan 0.000 0.478 642 C N -2.386 116.950 119.300 0.060 0.000 3.086 642 C HA 0.903 5.365 4.460 0.004 0.000 0.311 642 C C 0.127 175.056 174.990 -0.100 0.000 1.260 642 C CA -0.893 58.038 59.018 -0.144 0.000 1.426 642 C CB 0.835 28.270 27.740 -0.510 0.000 1.826 642 C HN 0.945 nan 8.230 nan 0.000 0.474 643 G N 1.492 110.219 108.800 -0.121 0.000 2.350 643 G HA2 0.544 4.507 3.960 0.004 0.000 0.306 643 G HA3 0.544 4.507 3.960 0.004 0.000 0.306 643 G C -1.122 173.725 174.900 -0.089 0.000 1.094 643 G CA -0.230 44.815 45.100 -0.091 0.000 0.953 643 G HN 1.027 nan 8.290 nan 0.000 0.420 644 L N 4.870 126.061 121.223 -0.053 0.000 2.313 644 L HA 0.510 4.853 4.340 0.004 0.000 0.283 644 L C -2.262 174.604 176.870 -0.007 0.000 1.013 644 L CA -2.114 52.713 54.840 -0.021 0.000 0.816 644 L CB 2.560 44.638 42.059 0.031 0.000 1.236 644 L HN 0.236 nan 8.230 nan 0.000 0.419 645 P HA 0.007 nan 4.420 nan 0.000 0.262 645 P C -0.330 176.997 177.300 0.046 0.000 1.182 645 P CA 0.015 63.114 63.100 -0.003 0.000 0.761 645 P CB 0.482 32.180 31.700 -0.003 0.000 0.795 646 K N 5.158 125.574 120.400 0.026 0.000 2.057 646 K HA -0.184 4.139 4.320 0.004 0.000 0.207 646 K C 1.438 178.190 176.600 0.252 0.000 1.049 646 K CA 1.284 57.645 56.287 0.123 0.000 0.931 646 K CB -0.300 32.214 32.500 0.023 0.000 0.714 646 K HN 0.235 nan 8.250 nan 0.000 0.440 647 R N 0.123 120.732 120.500 0.181 0.000 2.103 647 R HA -0.127 4.215 4.340 0.004 0.000 0.242 647 R C 2.346 178.753 176.300 0.178 0.000 1.142 647 R CA 1.933 58.165 56.100 0.220 0.000 0.960 647 R CB -0.543 29.829 30.300 0.120 0.000 0.858 647 R HN 0.208 nan 8.270 nan 0.000 0.439 648 M N 0.658 120.339 119.600 0.135 0.000 2.156 648 M HA -0.000 4.482 4.480 0.004 0.000 0.264 648 M C 2.283 178.700 176.300 0.194 0.000 1.067 648 M CA 1.617 56.990 55.300 0.123 0.000 1.131 648 M CB -0.269 32.381 32.600 0.084 0.000 1.368 648 M HN 0.214 nan 8.290 nan 0.000 0.416 649 A N -0.222 122.750 122.820 0.252 0.000 1.883 649 A HA -0.202 4.121 4.320 0.004 0.000 0.217 649 A C 2.228 180.066 177.584 0.424 0.000 1.186 649 A CA 1.904 54.185 52.037 0.405 0.000 0.624 649 A CB -1.236 17.916 19.000 0.253 0.000 0.822 649 A HN 0.538 nan 8.150 nan 0.000 0.444 650 L N -0.455 120.943 121.223 0.292 0.000 1.990 650 L HA -0.255 4.088 4.340 0.004 0.000 0.213 650 L C 2.680 179.663 176.870 0.188 0.000 1.072 650 L CA 2.251 57.215 54.840 0.207 0.000 0.755 650 L CB -0.339 41.805 42.059 0.140 0.000 0.889 650 L HN 0.475 nan 8.230 nan 0.000 0.432 651 E N -0.697 119.597 120.200 0.157 0.000 2.047 651 E HA -0.218 4.134 4.350 0.004 0.000 0.191 651 E C 2.197 178.879 176.600 0.136 0.000 0.987 651 E CA 1.087 57.554 56.400 0.111 0.000 0.799 651 E CB -0.179 29.562 29.700 0.067 0.000 0.752 651 E HN 0.312 nan 8.360 nan 0.000 0.449 652 L N 0.027 121.339 121.223 0.149 0.000 1.990 652 L HA -0.184 4.159 4.340 0.004 0.000 0.213 652 L C 1.653 178.520 176.870 -0.006 0.000 1.072 652 L CA 1.702 56.570 54.840 0.046 0.000 0.755 652 L CB -0.716 41.316 42.059 -0.045 0.000 0.889 652 L HN 0.090 nan 8.230 nan 0.000 0.432 653 F N -0.889 119.189 119.950 0.213 0.000 2.916 653 F HA 0.188 4.718 4.527 0.004 0.000 0.294 653 F C 1.702 177.626 175.800 0.207 0.000 1.189 653 F CA -0.366 57.779 58.000 0.242 0.000 1.369 653 F CB -0.597 38.522 39.000 0.197 0.000 0.961 653 F HN -0.001 nan 8.300 nan 0.000 0.508 654 K N 1.801 122.378 120.400 0.294 0.000 1.985 654 K HA -0.110 4.212 4.320 0.004 0.000 0.210 654 K C -0.875 175.819 176.600 0.156 0.000 1.047 654 K CA 1.787 58.186 56.287 0.187 0.000 0.932 654 K CB -1.012 31.562 32.500 0.123 0.000 0.716 654 K HN 0.082 nan 8.250 nan 0.000 0.439 655 P HA -0.138 nan 4.420 nan 0.000 0.215 655 P C 0.832 178.152 177.300 0.033 0.000 1.153 655 P CA 1.420 64.534 63.100 0.023 0.000 0.853 655 P CB -0.079 31.592 31.700 -0.049 0.000 0.788 656 F N -1.445 118.561 119.950 0.094 0.000 2.202 656 F HA -0.178 4.351 4.527 0.004 0.000 0.301 656 F C 2.127 177.975 175.800 0.079 0.000 1.082 656 F CA 0.365 58.419 58.000 0.092 0.000 1.313 656 F CB -0.490 38.603 39.000 0.156 0.000 1.024 656 F HN -0.097 nan 8.300 nan 0.000 0.495 657 L N -0.028 121.359 121.223 0.274 0.000 2.068 657 L HA -0.093 4.250 4.340 0.004 0.000 0.204 657 L C 2.034 178.953 176.870 0.082 0.000 1.076 657 L CA 1.457 56.384 54.840 0.146 0.000 0.753 657 L CB -0.803 41.321 42.059 0.108 0.000 0.910 657 L HN 0.043 nan 8.230 nan 0.000 0.439 658 L N -0.081 121.182 121.223 0.068 0.000 1.976 658 L HA -0.339 4.003 4.340 0.004 0.000 0.223 658 L C 2.694 179.584 176.870 0.034 0.000 1.081 658 L CA 2.068 56.928 54.840 0.032 0.000 0.784 658 L CB -0.914 41.159 42.059 0.023 0.000 0.896 658 L HN 0.310 nan 8.230 nan 0.000 0.438 659 K N 0.924 121.355 120.400 0.051 0.000 2.020 659 K HA -0.265 4.057 4.320 0.004 0.000 0.212 659 K C 2.025 178.654 176.600 0.048 0.000 1.050 659 K CA 1.942 58.259 56.287 0.051 0.000 0.929 659 K CB -0.394 32.151 32.500 0.076 0.000 0.714 659 K HN -0.065 nan 8.250 nan 0.000 0.443 660 K N 0.385 120.825 120.400 0.067 0.000 2.160 660 K HA -0.062 4.261 4.320 0.004 0.000 0.206 660 K C 1.938 178.550 176.600 0.019 0.000 1.047 660 K CA 1.786 58.099 56.287 0.044 0.000 0.930 660 K CB -0.248 32.282 32.500 0.050 0.000 0.720 660 K HN 0.298 nan 8.250 nan 0.000 0.450 661 M N -0.182 119.425 119.600 0.012 0.000 2.117 661 M HA -0.140 4.343 4.480 0.004 0.000 0.262 661 M C 1.815 178.113 176.300 -0.005 0.000 1.065 661 M CA 1.764 57.060 55.300 -0.007 0.000 1.114 661 M CB -0.593 31.996 32.600 -0.018 0.000 1.361 661 M HN 0.135 nan 8.290 nan 0.000 0.408 662 E N 0.503 120.704 120.200 0.002 0.000 2.150 662 E HA -0.124 4.228 4.350 0.004 0.000 0.193 662 E C 1.767 178.369 176.600 0.003 0.000 0.985 662 E CA 0.797 57.198 56.400 0.001 0.000 0.814 662 E CB -0.039 29.664 29.700 0.004 0.000 0.752 662 E HN 0.483 nan 8.360 nan 0.000 0.466 663 E N 0.487 120.691 120.200 0.007 0.000 2.409 663 E HA -0.055 4.298 4.350 0.004 0.000 0.198 663 E C 0.402 177.002 176.600 -0.000 0.000 1.024 663 E CA 0.708 57.111 56.400 0.005 0.000 0.861 663 E CB 0.181 29.886 29.700 0.010 0.000 0.788 663 E HN 0.159 nan 8.360 nan 0.000 0.521 664 K N -0.833 119.566 120.400 -0.002 0.000 2.331 664 K HA 0.353 4.676 4.320 0.004 0.000 0.238 664 K C 0.852 177.448 176.600 -0.006 0.000 1.058 664 K CA -0.365 55.919 56.287 -0.005 0.000 0.871 664 K CB 1.428 33.925 32.500 -0.006 0.000 1.292 664 K HN -0.049 nan 8.250 nan 0.000 0.470 665 G N 0.535 109.330 108.800 -0.007 0.000 2.920 665 G HA2 0.001 3.964 3.960 0.004 0.000 0.208 665 G HA3 0.001 3.964 3.960 0.004 0.000 0.208 665 G C 1.189 176.083 174.900 -0.011 0.000 1.159 665 G CA 0.132 45.227 45.100 -0.008 0.000 0.784 665 G HN 0.496 nan 8.290 nan 0.000 0.535 666 I N -0.191 120.370 120.570 -0.015 0.000 2.361 666 I HA 0.183 4.355 4.170 0.004 0.000 0.251 666 I C 1.274 177.376 176.117 -0.024 0.000 1.133 666 I CA 0.722 62.008 61.300 -0.024 0.000 1.413 666 I CB -0.301 37.678 38.000 -0.036 0.000 1.073 666 I HN 0.173 nan 8.210 nan 0.000 0.424 667 A N 0.085 122.894 122.820 -0.020 0.000 2.574 667 A HA 0.593 4.916 4.320 0.004 0.000 0.297 667 A C -2.317 175.259 177.584 -0.013 0.000 1.062 667 A CA -1.003 51.023 52.037 -0.018 0.000 0.686 667 A CB 1.041 20.027 19.000 -0.023 0.000 1.285 667 A HN -0.184 nan 8.150 nan 0.000 0.403 668 P HA 0.023 nan 4.420 nan 0.000 0.213 668 P C 0.114 177.409 177.300 -0.008 0.000 1.170 668 P CA 1.271 64.366 63.100 -0.009 0.000 0.889 668 P CB 0.267 31.962 31.700 -0.009 0.000 0.782 669 N N -2.876 115.818 118.700 -0.009 0.000 2.831 669 N HA 0.156 4.899 4.740 0.004 0.000 0.276 669 N C 0.980 176.485 175.510 -0.009 0.000 1.416 669 N CA -0.652 52.393 53.050 -0.008 0.000 0.799 669 N CB 0.646 39.128 38.487 -0.009 0.000 1.554 669 N HN -0.363 nan 8.380 nan 0.000 0.541 670 V N 0.786 120.696 119.914 -0.007 0.000 2.220 670 V HA -0.225 3.898 4.120 0.004 0.000 0.246 670 V C 2.199 178.286 176.094 -0.011 0.000 1.049 670 V CA 1.859 64.155 62.300 -0.007 0.000 1.003 670 V CB -0.547 31.271 31.823 -0.007 0.000 0.634 670 V HN 0.645 nan 8.190 nan 0.000 0.444 671 K N 0.711 121.104 120.400 -0.012 0.000 2.160 671 K HA -0.156 4.166 4.320 0.004 0.000 0.206 671 K C 2.064 178.655 176.600 -0.015 0.000 1.047 671 K CA 1.586 57.865 56.287 -0.014 0.000 0.930 671 K CB -0.699 31.793 32.500 -0.014 0.000 0.720 671 K HN 0.483 nan 8.250 nan 0.000 0.450 672 A N 0.420 123.231 122.820 -0.014 0.000 1.858 672 A HA -0.064 4.259 4.320 0.004 0.000 0.216 672 A C 2.366 179.938 177.584 -0.020 0.000 1.190 672 A CA 1.932 53.959 52.037 -0.016 0.000 0.617 672 A CB -1.162 17.829 19.000 -0.015 0.000 0.827 672 A HN 0.393 nan 8.150 nan 0.000 0.443 673 A N -0.611 122.197 122.820 -0.020 0.000 2.024 673 A HA -0.177 4.145 4.320 0.004 0.000 0.220 673 A C 2.236 179.803 177.584 -0.029 0.000 1.164 673 A CA 1.721 53.742 52.037 -0.026 0.000 0.643 673 A CB -0.431 18.558 19.000 -0.019 0.000 0.806 673 A HN 0.560 nan 8.150 nan 0.000 0.451 674 R N -1.206 119.281 120.500 -0.021 0.000 2.057 674 R HA -0.042 4.301 4.340 0.004 0.000 0.229 674 R C 2.534 178.820 176.300 -0.023 0.000 1.136 674 R CA 1.474 57.562 56.100 -0.020 0.000 0.952 674 R CB -0.268 30.023 30.300 -0.016 0.000 0.848 674 R HN 0.552 nan 8.270 nan 0.000 0.430 675 R N 0.141 120.628 120.500 -0.021 0.000 2.120 675 R HA -0.104 4.239 4.340 0.004 0.000 0.234 675 R C 2.092 178.377 176.300 -0.025 0.000 1.123 675 R CA 1.104 57.192 56.100 -0.020 0.000 0.975 675 R CB -0.057 30.232 30.300 -0.017 0.000 0.866 675 R HN 0.125 nan 8.270 nan 0.000 0.446 676 M N 0.515 120.097 119.600 -0.031 0.000 2.279 676 M HA -0.107 4.376 4.480 0.004 0.000 0.264 676 M C 1.381 177.650 176.300 -0.051 0.000 1.062 676 M CA 1.608 56.884 55.300 -0.040 0.000 1.099 676 M CB -0.163 32.408 32.600 -0.048 0.000 1.394 676 M HN 0.246 nan 8.290 nan 0.000 0.426 677 L N -0.853 120.339 121.223 -0.053 0.000 2.693 677 L HA 0.031 4.374 4.340 0.004 0.000 0.235 677 L C 1.822 178.671 176.870 -0.034 0.000 1.127 677 L CA 0.018 54.821 54.840 -0.062 0.000 0.914 677 L CB -0.334 41.679 42.059 -0.076 0.000 1.193 677 L HN 0.268 nan 8.230 nan 0.000 0.502 678 E N 1.348 121.533 120.200 -0.024 0.000 2.209 678 E HA -0.148 4.205 4.350 0.004 0.000 0.196 678 E C 0.643 177.239 176.600 -0.008 0.000 0.993 678 E CA 0.894 57.285 56.400 -0.015 0.000 0.819 678 E CB 0.095 29.787 29.700 -0.014 0.000 0.745 678 E HN 0.408 nan 8.360 nan 0.000 0.477 679 R N 0.307 120.802 120.500 -0.008 0.000 2.711 679 R HA 0.279 4.621 4.340 0.004 0.000 0.284 679 R C 0.685 176.992 176.300 0.010 0.000 0.968 679 R CA -0.551 55.550 56.100 0.003 0.000 0.924 679 R CB 1.067 31.369 30.300 0.002 0.000 1.162 679 R HN 0.108 nan 8.270 nan 0.000 0.465 680 Q N 1.189 121.005 119.800 0.028 0.000 2.230 680 Q HA -0.062 4.281 4.340 0.004 0.000 0.202 680 Q C 1.234 177.272 176.000 0.062 0.000 0.963 680 Q CA 1.188 57.025 55.803 0.056 0.000 0.866 680 Q CB 0.212 28.991 28.738 0.069 0.000 0.931 680 Q HN 0.406 nan 8.270 nan 0.000 0.452 681 R N 0.685 121.210 120.500 0.042 0.000 2.307 681 R HA -0.025 4.317 4.340 0.004 0.000 0.199 681 R C 0.449 176.769 176.300 0.033 0.000 1.000 681 R CA 0.618 56.743 56.100 0.042 0.000 1.023 681 R CB 0.160 30.477 30.300 0.028 0.000 0.908 681 R HN 0.185 nan 8.270 nan 0.000 0.473 682 D N 0.571 120.982 120.400 0.019 0.000 2.360 682 D HA 0.057 4.699 4.640 0.004 0.000 0.210 682 D C 0.096 176.388 176.300 -0.014 0.000 1.047 682 D CA 0.191 54.192 54.000 0.002 0.000 0.854 682 D CB 0.216 41.010 40.800 -0.011 0.000 0.936 682 D HN 0.040 nan 8.370 nan 0.000 0.514 683 I N 2.466 123.028 120.570 -0.013 0.000 2.505 683 I HA -0.051 4.121 4.170 0.004 0.000 0.287 683 I C 0.863 176.963 176.117 -0.028 0.000 1.104 683 I CA -0.092 61.158 61.300 -0.083 0.000 1.387 683 I CB 0.278 38.177 38.000 -0.168 0.000 1.404 683 I HN -0.328 nan 8.210 nan 0.000 0.528 684 K N 5.273 125.633 120.400 -0.066 0.000 2.295 684 K HA 0.103 4.425 4.320 0.004 0.000 0.270 684 K C 0.189 176.796 176.600 0.011 0.000 1.011 684 K CA -0.437 55.844 56.287 -0.011 0.000 0.953 684 K CB 0.563 33.048 32.500 -0.024 0.000 0.956 684 K HN 0.426 nan 8.250 nan 0.000 0.477 685 D N 1.966 122.445 120.400 0.131 0.000 2.311 685 D HA -0.127 4.515 4.640 0.004 0.000 0.212 685 D C 0.978 177.388 176.300 0.183 0.000 0.972 685 D CA 1.177 55.350 54.000 0.288 0.000 0.887 685 D CB 0.140 41.070 40.800 0.218 0.000 0.915 685 D HN 0.561 nan 8.370 nan 0.000 0.497 686 E N -0.001 120.231 120.200 0.053 0.000 2.204 686 E HA -0.100 4.252 4.350 0.004 0.000 0.194 686 E C 1.969 178.549 176.600 -0.033 0.000 0.989 686 E CA 0.491 56.903 56.400 0.020 0.000 0.824 686 E CB 0.141 29.840 29.700 -0.002 0.000 0.756 686 E HN 0.211 nan 8.360 nan 0.000 0.477 687 V N 0.268 120.087 119.914 -0.157 0.000 2.358 687 V HA -0.221 3.901 4.120 0.004 0.000 0.246 687 V C 1.800 177.746 176.094 -0.247 0.000 1.047 687 V CA 1.731 63.861 62.300 -0.283 0.000 1.035 687 V CB -0.799 30.710 31.823 -0.523 0.000 0.658 687 V HN 0.382 nan 8.190 nan 0.000 0.452 688 W N 0.559 121.861 121.300 0.004 0.000 2.363 688 W HA -0.112 4.550 4.660 0.004 0.000 0.296 688 W C 2.302 178.815 176.519 -0.010 0.000 1.212 688 W CA 0.934 58.278 57.345 -0.003 0.000 1.260 688 W CB -0.553 28.904 29.460 -0.005 0.000 1.131 688 W HN 0.250 nan 8.180 nan 0.000 0.530 689 D N 0.452 120.961 120.400 0.181 0.000 2.117 689 D HA -0.184 4.459 4.640 0.004 0.000 0.197 689 D C 2.220 178.552 176.300 0.055 0.000 0.987 689 D CA 1.862 55.922 54.000 0.100 0.000 0.829 689 D CB -0.887 39.954 40.800 0.068 0.000 0.961 689 D HN 0.180 nan 8.370 nan 0.000 0.460 690 A N 1.088 123.923 122.820 0.025 0.000 1.858 690 A HA -0.160 4.163 4.320 0.004 0.000 0.216 690 A C 2.243 179.831 177.584 0.006 0.000 1.190 690 A CA 1.083 53.122 52.037 0.003 0.000 0.617 690 A CB -0.887 18.100 19.000 -0.023 0.000 0.827 690 A HN 0.187 nan 8.150 nan 0.000 0.443 691 L N -0.087 121.142 121.223 0.010 0.000 2.017 691 L HA -0.166 4.177 4.340 0.004 0.000 0.208 691 L C 2.418 179.271 176.870 -0.028 0.000 1.073 691 L CA 2.674 57.515 54.840 0.002 0.000 0.745 691 L CB -0.619 41.468 42.059 0.047 0.000 0.894 691 L HN 0.563 nan 8.230 nan 0.000 0.432 692 E N -0.285 119.931 120.200 0.027 0.000 2.219 692 E HA -0.291 4.062 4.350 0.004 0.000 0.198 692 E C 2.073 178.672 176.600 -0.002 0.000 0.998 692 E CA 1.819 58.224 56.400 0.008 0.000 0.818 692 E CB -0.158 29.571 29.700 0.050 0.000 0.741 692 E HN 0.631 nan 8.360 nan 0.000 0.477 693 E N -0.984 119.220 120.200 0.007 0.000 2.122 693 E HA -0.061 4.292 4.350 0.004 0.000 0.190 693 E C 1.916 178.512 176.600 -0.007 0.000 0.977 693 E CA 0.884 57.292 56.400 0.013 0.000 0.820 693 E CB 0.232 29.933 29.700 0.001 0.000 0.770 693 E HN 0.205 nan 8.360 nan 0.000 0.462 694 V N 1.314 121.201 119.914 -0.045 0.000 2.407 694 V HA -0.211 3.912 4.120 0.004 0.000 0.248 694 V C 2.210 178.196 176.094 -0.179 0.000 1.055 694 V CA 1.343 63.592 62.300 -0.085 0.000 1.049 694 V CB -0.231 31.567 31.823 -0.042 0.000 0.662 694 V HN 0.348 nan 8.190 nan 0.000 0.455 695 I N -0.801 119.627 120.570 -0.237 0.000 3.793 695 I HA -0.032 4.141 4.170 0.004 0.000 0.315 695 I C 2.115 178.137 176.117 -0.158 0.000 1.275 695 I CA 0.329 61.426 61.300 -0.339 0.000 1.214 695 I CB -0.238 37.444 38.000 -0.529 0.000 1.018 695 I HN 0.442 nan 8.210 nan 0.000 0.439 696 H N 1.370 120.351 119.070 -0.147 0.000 2.275 696 H HA -0.299 4.259 4.556 0.004 0.000 0.279 696 H C 1.694 176.983 175.328 -0.065 0.000 1.121 696 H CA 2.506 58.502 56.048 -0.087 0.000 1.175 696 H CB -0.460 29.260 29.762 -0.070 0.000 1.390 696 H HN 0.318 nan 8.280 nan 0.000 0.521 697 G N -0.489 108.234 108.800 -0.128 0.000 3.441 697 G HA2 0.126 4.089 3.960 0.004 0.000 0.263 697 G HA3 0.126 4.089 3.960 0.004 0.000 0.263 697 G C -0.086 174.776 174.900 -0.064 0.000 1.014 697 G CA -0.437 44.577 45.100 -0.142 0.000 0.833 697 G HN 0.291 nan 8.290 nan 0.000 0.514 698 K N 0.778 121.136 120.400 -0.070 0.000 2.168 698 K HA 0.491 4.814 4.320 0.004 0.000 0.258 698 K C -0.244 176.357 176.600 0.001 0.000 1.010 698 K CA -0.170 56.097 56.287 -0.034 0.000 0.929 698 K CB 1.781 34.254 32.500 -0.044 0.000 0.998 698 K HN 0.120 nan 8.250 nan 0.000 0.479 699 V N -0.190 119.758 119.914 0.057 0.000 2.962 699 V HA 0.681 4.803 4.120 0.004 0.000 0.313 699 V C -0.495 175.696 176.094 0.161 0.000 1.099 699 V CA -0.905 61.445 62.300 0.083 0.000 0.971 699 V CB 1.625 33.465 31.823 0.028 0.000 1.028 699 V HN 0.551 nan 8.190 nan 0.000 0.430 700 V N 1.581 121.617 119.914 0.203 0.000 3.166 700 V HA 0.848 4.970 4.120 0.004 0.000 0.317 700 V C -0.629 175.613 176.094 0.246 0.000 1.136 700 V CA -0.908 61.525 62.300 0.222 0.000 1.035 700 V CB 1.657 33.624 31.823 0.240 0.000 1.110 700 V HN 0.891 nan 8.190 nan 0.000 0.450 701 L N 1.218 122.595 121.223 0.257 0.000 2.334 701 L HA 0.739 5.082 4.340 0.004 0.000 0.270 701 L C -0.571 176.504 176.870 0.341 0.000 1.018 701 L CA -0.338 54.693 54.840 0.318 0.000 0.811 701 L CB 1.553 43.780 42.059 0.281 0.000 1.271 701 L HN 0.648 nan 8.230 nan 0.000 0.443 702 L N 2.029 123.496 121.223 0.406 0.000 2.386 702 L HA 0.506 4.849 4.340 0.004 0.000 0.271 702 L C -0.467 176.663 176.870 0.433 0.000 0.993 702 L CA -0.078 54.941 54.840 0.298 0.000 0.819 702 L CB 1.820 43.928 42.059 0.081 0.000 1.294 702 L HN 0.620 nan 8.230 nan 0.000 0.414 703 N N 1.624 120.521 118.700 0.329 0.000 2.321 703 N HA 0.604 5.346 4.740 0.004 0.000 0.299 703 N C -0.866 174.802 175.510 0.264 0.000 1.048 703 N CA -0.771 52.500 53.050 0.369 0.000 0.836 703 N CB 1.592 40.316 38.487 0.396 0.000 1.269 703 N HN 0.492 nan 8.380 nan 0.000 0.486 704 R N 2.629 123.349 120.500 0.366 0.000 2.691 704 R HA 0.600 4.943 4.340 0.004 0.000 0.259 704 R C 0.618 177.018 176.300 0.168 0.000 1.048 704 R CA 0.130 56.396 56.100 0.277 0.000 1.086 704 R CB 0.679 31.284 30.300 0.507 0.000 1.166 704 R HN 0.663 nan 8.270 nan 0.000 0.526 705 A N 2.521 125.407 122.820 0.109 0.000 2.021 705 A HA 0.028 4.351 4.320 0.004 0.000 0.206 705 A C -1.318 176.303 177.584 0.060 0.000 1.210 705 A CA 1.184 53.263 52.037 0.069 0.000 0.733 705 A CB -1.835 17.192 19.000 0.046 0.000 0.839 705 A HN 0.709 nan 8.150 nan 0.000 0.495 706 P HA 0.326 nan 4.420 nan 0.000 0.287 706 P C -1.051 176.252 177.300 0.004 0.000 1.294 706 P CA 0.008 63.117 63.100 0.014 0.000 0.776 706 P CB 1.126 32.820 31.700 -0.010 0.000 0.889 707 T N 4.405 118.969 114.554 0.016 0.000 3.182 707 T HA 0.111 4.463 4.350 0.004 0.000 0.274 707 T C 1.354 176.021 174.700 -0.055 0.000 0.997 707 T CA 0.305 62.407 62.100 0.005 0.000 1.082 707 T CB -0.554 68.339 68.868 0.042 0.000 1.005 707 T HN 0.314 nan 8.240 nan 0.000 0.688 708 L N 2.246 123.370 121.223 -0.165 0.000 2.145 708 L HA 0.177 4.519 4.340 0.004 0.000 0.201 708 L C 1.502 178.275 176.870 -0.161 0.000 1.075 708 L CA 0.702 55.422 54.840 -0.199 0.000 0.773 708 L CB 0.123 42.014 42.059 -0.281 0.000 0.936 708 L HN 0.726 nan 8.230 nan 0.000 0.451 709 H N -2.870 116.184 119.070 -0.027 0.000 2.824 709 H HA 0.284 4.842 4.556 0.004 0.000 0.345 709 H C 0.627 175.924 175.328 -0.051 0.000 1.252 709 H CA -0.854 55.171 56.048 -0.038 0.000 1.246 709 H CB 0.853 30.590 29.762 -0.042 0.000 1.908 709 H HN -0.076 nan 8.280 nan 0.000 0.601 710 R N 0.296 120.883 120.500 0.144 0.000 2.139 710 R HA -0.113 4.230 4.340 0.004 0.000 0.243 710 R C 1.176 177.485 176.300 0.013 0.000 1.145 710 R CA 1.912 58.042 56.100 0.051 0.000 0.976 710 R CB -0.797 29.511 30.300 0.013 0.000 0.866 710 R HN 0.453 nan 8.270 nan 0.000 0.449 711 L N 1.257 122.448 121.223 -0.054 0.000 2.622 711 L HA 0.165 4.507 4.340 0.004 0.000 0.233 711 L C 2.387 179.094 176.870 -0.271 0.000 1.156 711 L CA 1.027 55.744 54.840 -0.205 0.000 0.866 711 L CB -0.374 41.432 42.059 -0.422 0.000 0.980 711 L HN 0.456 nan 8.230 nan 0.000 0.448 712 G N 0.526 109.350 108.800 0.040 0.000 2.501 712 G HA2 -0.036 3.927 3.960 0.004 0.000 0.220 712 G HA3 -0.036 3.927 3.960 0.004 0.000 0.220 712 G C 0.744 175.647 174.900 0.005 0.000 1.114 712 G CA 0.430 45.495 45.100 -0.058 0.000 0.757 712 G HN 0.375 nan 8.290 nan 0.000 0.559 713 I N -0.860 119.722 120.570 0.019 0.000 2.569 713 I HA 0.432 4.605 4.170 0.004 0.000 0.290 713 I C -0.875 175.352 176.117 0.184 0.000 1.088 713 I CA -0.685 60.756 61.300 0.234 0.000 1.047 713 I CB 2.283 40.391 38.000 0.179 0.000 1.237 713 I HN -0.074 nan 8.210 nan 0.000 0.421 714 Q N 3.197 123.249 119.800 0.419 0.000 2.456 714 Q HA 0.791 5.133 4.340 0.004 0.000 0.284 714 Q C -1.206 174.970 176.000 0.294 0.000 1.061 714 Q CA -0.992 54.964 55.803 0.255 0.000 0.799 714 Q CB 3.275 32.141 28.738 0.213 0.000 1.445 714 Q HN 0.801 nan 8.270 nan 0.000 0.411 715 A N 1.480 124.301 122.820 0.001 0.000 2.292 715 A HA 0.827 5.149 4.320 0.004 0.000 0.319 715 A C -1.344 176.154 177.584 -0.144 0.000 1.206 715 A CA -0.159 51.918 52.037 0.067 0.000 0.835 715 A CB 0.255 19.261 19.000 0.010 0.000 1.164 715 A HN 0.492 nan 8.150 nan 0.000 0.505 716 F N -0.548 119.399 119.950 -0.004 0.000 2.640 716 F HA 0.476 5.005 4.527 0.004 0.000 0.324 716 F C 0.358 176.078 175.800 -0.133 0.000 1.077 716 F CA -0.686 57.265 58.000 -0.081 0.000 0.965 716 F CB 1.929 40.910 39.000 -0.033 0.000 1.351 716 F HN 0.583 nan 8.300 nan 0.000 0.487 717 Q N 2.754 122.521 119.800 -0.056 0.000 2.361 717 Q HA 0.328 4.670 4.340 0.004 0.000 0.250 717 Q C -2.545 173.423 176.000 -0.054 0.000 1.023 717 Q CA -1.889 53.818 55.803 -0.160 0.000 0.915 717 Q CB 0.951 29.416 28.738 -0.455 0.000 1.238 717 Q HN 0.116 nan 8.270 nan 0.000 0.451 718 P HA -0.028 nan 4.420 nan 0.000 0.266 718 P C -1.216 176.050 177.300 -0.056 0.000 1.215 718 P CA 0.075 63.161 63.100 -0.023 0.000 0.763 718 P CB 0.709 32.408 31.700 -0.002 0.000 0.806 719 V N 5.856 125.745 119.914 -0.041 0.000 2.239 719 V HA 0.125 4.247 4.120 0.004 0.000 0.267 719 V C 0.258 176.326 176.094 -0.042 0.000 1.056 719 V CA -0.811 61.466 62.300 -0.039 0.000 0.830 719 V CB 0.111 31.921 31.823 -0.021 0.000 1.090 719 V HN 0.392 nan 8.190 nan 0.000 0.459 720 L N 5.447 126.643 121.223 -0.045 0.000 2.678 720 L HA 0.066 4.409 4.340 0.004 0.000 0.285 720 L C 0.305 177.141 176.870 -0.057 0.000 1.233 720 L CA 1.140 55.957 54.840 -0.037 0.000 0.920 720 L CB -0.188 41.859 42.059 -0.019 0.000 1.176 720 L HN 0.593 nan 8.230 nan 0.000 0.495 721 V N -0.534 119.341 119.914 -0.066 0.000 3.160 721 V HA 0.647 4.770 4.120 0.004 0.000 0.310 721 V C -0.241 175.784 176.094 -0.114 0.000 1.181 721 V CA -1.212 61.034 62.300 -0.090 0.000 1.047 721 V CB 1.911 33.685 31.823 -0.082 0.000 1.068 721 V HN 0.542 nan 8.190 nan 0.000 0.441 722 E N 0.866 120.987 120.200 -0.131 0.000 2.349 722 E HA 0.628 4.980 4.350 0.004 0.000 0.265 722 E C 0.534 177.069 176.600 -0.108 0.000 1.064 722 E CA 1.195 57.507 56.400 -0.146 0.000 0.886 722 E CB 1.212 30.822 29.700 -0.150 0.000 1.036 722 E HN 1.561 nan 8.360 nan 0.000 0.413 723 G N 1.386 110.127 108.800 -0.098 0.000 2.582 723 G HA2 -0.275 3.688 3.960 0.004 0.000 0.222 723 G HA3 -0.275 3.688 3.960 0.004 0.000 0.222 723 G C 0.406 175.274 174.900 -0.054 0.000 1.311 723 G CA 0.260 45.316 45.100 -0.073 0.000 0.915 723 G HN 0.531 nan 8.290 nan 0.000 0.528 724 Q N -0.697 119.073 119.800 -0.050 0.000 2.226 724 Q HA 0.297 4.640 4.340 0.004 0.000 0.199 724 Q C 1.589 177.561 176.000 -0.047 0.000 0.945 724 Q CA 1.070 56.850 55.803 -0.039 0.000 0.861 724 Q CB 0.046 28.763 28.738 -0.035 0.000 0.953 724 Q HN 0.668 nan 8.270 nan 0.000 0.490 725 S N 0.519 116.181 115.700 -0.063 0.000 2.585 725 S HA 0.261 4.733 4.470 0.004 0.000 0.273 725 S C -0.070 174.479 174.600 -0.086 0.000 1.339 725 S CA -0.272 57.881 58.200 -0.078 0.000 1.028 725 S CB 0.580 63.719 63.200 -0.102 0.000 0.906 725 S HN 0.267 nan 8.310 nan 0.000 0.528 726 I N 2.488 123.001 120.570 -0.095 0.000 2.330 726 I HA 0.204 4.377 4.170 0.004 0.000 0.289 726 I C 0.018 176.047 176.117 -0.147 0.000 1.001 726 I CA -0.440 60.794 61.300 -0.110 0.000 1.193 726 I CB 1.045 38.980 38.000 -0.108 0.000 1.345 726 I HN 0.499 nan 8.210 nan 0.000 0.461 727 Q N 6.519 126.227 119.800 -0.153 0.000 2.323 727 Q HA 0.380 4.723 4.340 0.004 0.000 0.257 727 Q C -0.696 175.192 176.000 -0.186 0.000 1.022 727 Q CA -0.546 55.153 55.803 -0.173 0.000 0.919 727 Q CB 1.465 30.119 28.738 -0.141 0.000 1.220 727 Q HN 0.488 nan 8.270 nan 0.000 0.427 728 L N 1.533 122.655 121.223 -0.168 0.000 2.322 728 L HA 0.386 4.729 4.340 0.004 0.000 0.279 728 L C -0.318 176.569 176.870 0.029 0.000 1.036 728 L CA -0.620 54.137 54.840 -0.137 0.000 0.807 728 L CB 1.187 43.208 42.059 -0.064 0.000 1.226 728 L HN 0.560 nan 8.230 nan 0.000 0.433 729 H N 5.241 124.336 119.070 0.042 0.000 2.707 729 H HA 0.226 4.785 4.556 0.004 0.000 0.359 729 H C -2.017 173.456 175.328 0.243 0.000 1.113 729 H CA -1.286 54.864 56.048 0.170 0.000 1.422 729 H CB 1.691 31.607 29.762 0.256 0.000 1.443 729 H HN 0.579 nan 8.280 nan 0.000 0.591 730 P HA -0.116 nan 4.420 nan 0.000 0.217 730 P C 1.860 179.409 177.300 0.416 0.000 1.151 730 P CA 0.817 64.154 63.100 0.395 0.000 0.828 730 P CB 0.505 32.418 31.700 0.354 0.000 0.788 731 L N 0.007 121.564 121.223 0.557 0.000 2.083 731 L HA -0.107 4.236 4.340 0.004 0.000 0.209 731 L C 2.383 179.410 176.870 0.263 0.000 1.083 731 L CA 1.443 56.454 54.840 0.286 0.000 0.752 731 L CB -0.985 41.155 42.059 0.134 0.000 0.899 731 L HN -0.111 nan 8.230 nan 0.000 0.433 732 V N -5.058 115.066 119.914 0.350 0.000 3.510 732 V HA -0.109 4.014 4.120 0.004 0.000 0.270 732 V C 2.064 178.438 176.094 0.467 0.000 1.201 732 V CA 0.457 63.005 62.300 0.413 0.000 1.166 732 V CB -1.326 30.882 31.823 0.642 0.000 0.825 732 V HN 0.434 nan 8.190 nan 0.000 0.484 733 C N 0.267 119.774 119.300 0.344 0.000 2.449 733 C HA -0.003 4.459 4.460 0.004 0.000 0.283 733 C C 2.606 177.722 174.990 0.209 0.000 1.453 733 C CA 0.685 59.847 59.018 0.240 0.000 1.779 733 C CB -1.101 26.703 27.740 0.106 0.000 1.779 733 C HN 0.620 nan 8.230 nan 0.000 0.546 734 E N 0.653 120.982 120.200 0.216 0.000 2.140 734 E HA 0.034 4.386 4.350 0.004 0.000 0.191 734 E C 2.364 179.072 176.600 0.181 0.000 0.973 734 E CA 0.975 57.473 56.400 0.164 0.000 0.829 734 E CB -0.221 29.559 29.700 0.132 0.000 0.781 734 E HN 0.598 nan 8.360 nan 0.000 0.466 735 A N 1.302 124.235 122.820 0.187 0.000 1.835 735 A HA -0.103 4.220 4.320 0.004 0.000 0.215 735 A C 0.724 178.421 177.584 0.190 0.000 1.199 735 A CA 0.890 52.979 52.037 0.086 0.000 0.615 735 A CB -0.716 18.221 19.000 -0.105 0.000 0.838 735 A HN 0.102 nan 8.150 nan 0.000 0.444 736 F N 0.587 120.671 119.950 0.223 0.000 2.445 736 F HA 0.272 4.802 4.527 0.004 0.000 0.359 736 F C 0.667 176.522 175.800 0.093 0.000 1.101 736 F CA -1.028 57.071 58.000 0.165 0.000 1.177 736 F CB -0.330 38.752 39.000 0.138 0.000 1.110 736 F HN 0.308 nan 8.300 nan 0.000 0.522 737 N N 2.841 121.665 118.700 0.207 0.000 2.598 737 N HA 0.301 5.044 4.740 0.004 0.000 0.300 737 N C -0.994 174.567 175.510 0.085 0.000 1.224 737 N CA 0.124 53.241 53.050 0.113 0.000 1.125 737 N CB -0.098 38.419 38.487 0.050 0.000 1.468 737 N HN 0.696 nan 8.380 nan 0.000 0.504 738 A N 2.626 125.480 122.820 0.058 0.000 2.402 738 A HA 0.458 4.781 4.320 0.004 0.000 0.291 738 A C -1.027 176.410 177.584 -0.246 0.000 1.051 738 A CA -0.983 51.029 52.037 -0.042 0.000 0.716 738 A CB 0.908 19.907 19.000 -0.002 0.000 1.223 738 A HN 0.697 nan 8.150 nan 0.000 0.425 739 D N 0.436 120.668 120.400 -0.280 0.000 2.564 739 D HA 0.553 5.196 4.640 0.004 0.000 0.273 739 D C -0.253 175.728 176.300 -0.531 0.000 1.192 739 D CA -0.611 53.091 54.000 -0.497 0.000 1.080 739 D CB 0.202 40.862 40.800 -0.233 0.000 1.160 739 D HN 0.336 nan 8.370 nan 0.000 0.607 740 F N -0.681 119.267 119.950 -0.003 0.000 2.850 740 F HA 0.178 4.707 4.527 0.004 0.000 0.306 740 F C 0.497 176.282 175.800 -0.024 0.000 1.162 740 F CA -0.675 57.312 58.000 -0.021 0.000 1.327 740 F CB 0.194 39.174 39.000 -0.033 0.000 0.953 740 F HN 0.117 nan 8.300 nan 0.000 0.507 741 D N -0.738 119.716 120.400 0.091 0.000 2.352 741 D HA 0.174 4.817 4.640 0.004 0.000 0.232 741 D C 1.730 178.059 176.300 0.049 0.000 1.055 741 D CA 0.770 54.804 54.000 0.057 0.000 0.891 741 D CB 0.191 41.004 40.800 0.020 0.000 0.897 741 D HN 0.360 nan 8.370 nan 0.000 0.529 742 G N -0.275 108.567 108.800 0.069 0.000 2.370 742 G HA2 -0.180 3.783 3.960 0.004 0.000 0.174 742 G HA3 -0.180 3.783 3.960 0.004 0.000 0.174 742 G C -0.641 174.282 174.900 0.038 0.000 1.002 742 G CA -0.540 44.587 45.100 0.044 0.000 0.730 742 G HN 0.220 nan 8.290 nan 0.000 0.497 743 D N 1.318 121.745 120.400 0.045 0.000 2.506 743 D HA 0.376 5.018 4.640 0.004 0.000 0.234 743 D C 0.668 176.986 176.300 0.030 0.000 1.143 743 D CA 0.887 54.905 54.000 0.030 0.000 0.871 743 D CB 0.604 41.414 40.800 0.018 0.000 1.190 743 D HN 0.423 nan 8.370 nan 0.000 0.459 744 Q N 1.089 120.898 119.800 0.015 0.000 2.342 744 Q HA 0.584 4.927 4.340 0.004 0.000 0.267 744 Q C -0.509 175.489 176.000 -0.003 0.000 1.038 744 Q CA -0.664 55.141 55.803 0.002 0.000 0.832 744 Q CB 2.102 30.839 28.738 -0.001 0.000 1.323 744 Q HN 0.352 nan 8.270 nan 0.000 0.448 745 M N 1.331 120.915 119.600 -0.027 0.000 2.465 745 M HA 0.596 5.079 4.480 0.004 0.000 0.316 745 M C -0.653 175.625 176.300 -0.038 0.000 1.121 745 M CA -0.586 54.694 55.300 -0.034 0.000 0.934 745 M CB 2.097 34.629 32.600 -0.114 0.000 1.692 745 M HN 0.708 nan 8.290 nan 0.000 0.444 746 A N 2.032 124.846 122.820 -0.010 0.000 2.257 746 A HA 0.815 5.137 4.320 0.004 0.000 0.289 746 A C -0.936 176.563 177.584 -0.141 0.000 1.095 746 A CA -0.620 51.367 52.037 -0.084 0.000 0.836 746 A CB 1.122 20.081 19.000 -0.069 0.000 1.111 746 A HN 0.677 nan 8.150 nan 0.000 0.497 747 V N 1.295 121.016 119.914 -0.323 0.000 2.808 747 V HA 0.573 4.696 4.120 0.004 0.000 0.308 747 V C -1.248 174.589 176.094 -0.429 0.000 1.099 747 V CA -0.601 61.560 62.300 -0.231 0.000 0.920 747 V CB 1.730 33.508 31.823 -0.075 0.000 1.014 747 V HN 1.023 nan 8.190 nan 0.000 0.425 748 H N 4.361 123.475 119.070 0.073 0.000 2.834 748 H HA 0.768 5.327 4.556 0.004 0.000 0.369 748 H C -1.182 174.173 175.328 0.044 0.000 1.174 748 H CA -0.700 55.386 56.048 0.063 0.000 1.165 748 H CB 2.286 32.094 29.762 0.077 0.000 1.820 748 H HN 0.564 nan 8.280 nan 0.000 0.558 749 V N 0.716 120.707 119.914 0.129 0.000 2.531 749 V HA 0.288 4.410 4.120 0.004 0.000 0.301 749 V C -2.618 173.505 176.094 0.048 0.000 1.034 749 V CA -2.044 60.265 62.300 0.016 0.000 0.865 749 V CB 1.374 33.051 31.823 -0.243 0.000 0.995 749 V HN 0.558 nan 8.190 nan 0.000 0.424 750 P HA 0.388 nan 4.420 nan 0.000 0.276 750 P C 0.588 177.947 177.300 0.098 0.000 1.264 750 P CA -0.118 63.036 63.100 0.089 0.000 0.769 750 P CB 1.119 32.878 31.700 0.098 0.000 0.840 751 L N 1.460 122.730 121.223 0.078 0.000 2.102 751 L HA -0.019 4.323 4.340 0.004 0.000 0.202 751 L C 1.250 178.216 176.870 0.160 0.000 1.076 751 L CA 0.889 55.784 54.840 0.091 0.000 0.761 751 L CB -0.336 41.706 42.059 -0.029 0.000 0.921 751 L HN 0.395 nan 8.230 nan 0.000 0.444 752 S N -1.843 113.936 115.700 0.131 0.000 2.592 752 S HA 0.002 4.475 4.470 0.004 0.000 0.271 752 S C 1.144 175.843 174.600 0.164 0.000 1.326 752 S CA -0.010 58.282 58.200 0.154 0.000 1.024 752 S CB 1.571 64.865 63.200 0.158 0.000 0.921 752 S HN 0.146 nan 8.310 nan 0.000 0.527 753 S N 0.956 116.744 115.700 0.147 0.000 2.440 753 S HA -0.105 4.367 4.470 0.004 0.000 0.238 753 S C 1.189 175.830 174.600 0.069 0.000 1.010 753 S CA 0.926 59.178 58.200 0.086 0.000 0.972 753 S CB -0.809 62.418 63.200 0.045 0.000 0.774 753 S HN 0.695 nan 8.310 nan 0.000 0.501 754 F N 1.489 121.461 119.950 0.036 0.000 2.098 754 F HA 0.088 4.617 4.527 0.004 0.000 0.294 754 F C 2.533 178.350 175.800 0.027 0.000 1.107 754 F CA 0.969 58.985 58.000 0.026 0.000 1.234 754 F CB -0.585 38.427 39.000 0.020 0.000 1.002 754 F HN 0.285 nan 8.300 nan 0.000 0.472 755 A N -0.396 122.603 122.820 0.299 0.000 1.917 755 A HA -0.330 3.992 4.320 0.004 0.000 0.219 755 A C 1.961 179.629 177.584 0.139 0.000 1.182 755 A CA 2.124 54.272 52.037 0.184 0.000 0.633 755 A CB -0.998 18.079 19.000 0.129 0.000 0.819 755 A HN 0.476 nan 8.150 nan 0.000 0.448 756 Q N -0.313 119.556 119.800 0.116 0.000 2.050 756 Q HA -0.045 4.298 4.340 0.004 0.000 0.202 756 Q C 2.146 178.178 176.000 0.053 0.000 0.980 756 Q CA 2.185 58.033 55.803 0.074 0.000 0.840 756 Q CB -0.742 28.027 28.738 0.052 0.000 0.898 756 Q HN 0.577 nan 8.270 nan 0.000 0.424 757 A N 1.174 124.016 122.820 0.035 0.000 1.849 757 A HA -0.320 4.002 4.320 0.004 0.000 0.217 757 A C 1.922 179.529 177.584 0.038 0.000 1.202 757 A CA 2.341 54.373 52.037 -0.008 0.000 0.629 757 A CB -1.108 17.816 19.000 -0.127 0.000 0.834 757 A HN 0.679 nan 8.150 nan 0.000 0.447 758 E N 0.040 120.299 120.200 0.097 0.000 2.085 758 E HA -0.147 4.206 4.350 0.004 0.000 0.194 758 E C 2.099 178.744 176.600 0.075 0.000 0.994 758 E CA 1.250 57.715 56.400 0.108 0.000 0.801 758 E CB -0.561 29.233 29.700 0.157 0.000 0.743 758 E HN 0.557 nan 8.360 nan 0.000 0.453 759 A N 2.308 125.171 122.820 0.072 0.000 1.972 759 A HA -0.183 4.140 4.320 0.004 0.000 0.219 759 A C 2.242 179.837 177.584 0.018 0.000 1.169 759 A CA 1.707 53.776 52.037 0.053 0.000 0.635 759 A CB -0.556 18.485 19.000 0.069 0.000 0.810 759 A HN 0.372 nan 8.150 nan 0.000 0.446 760 R N -1.177 119.331 120.500 0.014 0.000 2.362 760 R HA 0.391 4.733 4.340 0.004 0.000 0.227 760 R C 1.086 177.381 176.300 -0.009 0.000 0.905 760 R CA 0.556 56.641 56.100 -0.026 0.000 1.067 760 R CB -0.155 30.139 30.300 -0.011 0.000 1.078 760 R HN 0.503 nan 8.270 nan 0.000 0.516 761 I N 0.944 121.545 120.570 0.052 0.000 3.445 761 I HA -0.049 4.124 4.170 0.004 0.000 0.288 761 I C 1.548 177.785 176.117 0.200 0.000 1.198 761 I CA 0.573 61.952 61.300 0.132 0.000 1.417 761 I CB 0.400 38.449 38.000 0.081 0.000 1.205 761 I HN 0.124 nan 8.210 nan 0.000 0.448 762 Q N -0.524 119.345 119.800 0.115 0.000 2.185 762 Q HA 0.272 4.615 4.340 0.004 0.000 0.234 762 Q C 1.527 177.570 176.000 0.071 0.000 0.819 762 Q CA 0.110 55.978 55.803 0.108 0.000 0.961 762 Q CB 0.583 29.366 28.738 0.075 0.000 1.140 762 Q HN 0.310 nan 8.270 nan 0.000 0.492 763 M N 0.982 120.602 119.600 0.034 0.000 2.292 763 M HA 0.279 4.762 4.480 0.004 0.000 0.286 763 M C -0.568 175.695 176.300 -0.062 0.000 1.002 763 M CA -0.489 54.814 55.300 0.005 0.000 1.029 763 M CB 0.913 33.528 32.600 0.025 0.000 1.537 763 M HN 0.328 nan 8.290 nan 0.000 0.543 764 L N -0.564 120.578 121.223 -0.136 0.000 2.483 764 L HA 0.362 4.704 4.340 0.004 0.000 0.276 764 L C 1.162 177.839 176.870 -0.322 0.000 1.213 764 L CA 0.149 54.818 54.840 -0.285 0.000 0.843 764 L CB 0.017 41.819 42.059 -0.427 0.000 1.107 764 L HN 0.267 nan 8.230 nan 0.000 0.487 765 S N 2.920 118.301 115.700 -0.531 0.000 2.414 765 S HA -0.295 4.178 4.470 0.004 0.000 0.225 765 S C 1.855 176.296 174.600 -0.265 0.000 1.041 765 S CA 1.279 59.173 58.200 -0.510 0.000 1.114 765 S CB -1.412 61.144 63.200 -1.074 0.000 1.064 765 S HN 1.021 nan 8.310 nan 0.000 0.420 766 A N 1.476 124.143 122.820 -0.256 0.000 2.204 766 A HA -0.199 4.123 4.320 0.004 0.000 0.220 766 A C 1.813 179.438 177.584 0.068 0.000 1.165 766 A CA 1.855 53.832 52.037 -0.101 0.000 0.671 766 A CB -0.858 18.107 19.000 -0.059 0.000 0.792 766 A HN 0.647 nan 8.150 nan 0.000 0.473 767 H N -1.319 117.695 119.070 -0.094 0.000 2.547 767 H HA 0.111 4.669 4.556 0.004 0.000 0.272 767 H C 0.685 176.020 175.328 0.012 0.000 0.971 767 H CA 0.454 56.478 56.048 -0.040 0.000 1.245 767 H CB 0.127 29.877 29.762 -0.020 0.000 1.440 767 H HN 0.394 nan 8.280 nan 0.000 0.540 768 N N 1.332 120.094 118.700 0.104 0.000 3.301 768 N HA 0.060 4.803 4.740 0.004 0.000 0.289 768 N C 0.608 176.154 175.510 0.060 0.000 1.343 768 N CA 0.006 53.103 53.050 0.079 0.000 1.136 768 N CB 0.039 38.532 38.487 0.010 0.000 1.402 768 N HN 0.267 nan 8.380 nan 0.000 0.516 769 L N -0.058 121.235 121.223 0.117 0.000 2.209 769 L HA 0.186 4.529 4.340 0.004 0.000 0.207 769 L C 0.907 177.888 176.870 0.185 0.000 1.094 769 L CA 0.670 55.555 54.840 0.076 0.000 0.790 769 L CB -0.007 41.980 42.059 -0.120 0.000 0.932 769 L HN 0.217 nan 8.230 nan 0.000 0.447 770 L N 0.059 121.477 121.223 0.325 0.000 2.379 770 L HA 0.282 4.625 4.340 0.004 0.000 0.269 770 L C 0.346 177.285 176.870 0.115 0.000 1.084 770 L CA -0.490 54.494 54.840 0.240 0.000 0.802 770 L CB 1.635 43.843 42.059 0.247 0.000 1.175 770 L HN 0.105 nan 8.230 nan 0.000 0.448 771 S N 0.818 116.567 115.700 0.081 0.000 2.562 771 S HA 0.303 4.776 4.470 0.004 0.000 0.275 771 S C -2.136 172.501 174.600 0.061 0.000 1.281 771 S CA -1.294 56.913 58.200 0.011 0.000 1.045 771 S CB 1.430 64.624 63.200 -0.010 0.000 0.962 771 S HN 0.391 nan 8.310 nan 0.000 0.503 772 P HA 0.033 nan 4.420 nan 0.000 0.223 772 P C 1.311 178.688 177.300 0.129 0.000 1.151 772 P CA 1.069 64.228 63.100 0.097 0.000 0.787 772 P CB -0.027 31.695 31.700 0.037 0.000 0.788 773 A N -0.538 122.320 122.820 0.063 0.000 1.840 773 A HA -0.000 4.322 4.320 0.004 0.000 0.214 773 A C 1.185 178.903 177.584 0.223 0.000 1.198 773 A CA 1.529 53.620 52.037 0.089 0.000 0.608 773 A CB -0.898 18.148 19.000 0.077 0.000 0.839 773 A HN 0.307 nan 8.150 nan 0.000 0.443 774 S N -2.507 113.285 115.700 0.154 0.000 2.566 774 S HA 0.553 5.025 4.470 0.004 0.000 0.298 774 S C 0.692 175.353 174.600 0.102 0.000 1.083 774 S CA -0.130 58.142 58.200 0.119 0.000 0.978 774 S CB 1.501 64.733 63.200 0.053 0.000 1.073 774 S HN 0.694 nan 8.310 nan 0.000 0.491 775 G N 0.464 109.278 108.800 0.022 0.000 2.990 775 G HA2 0.106 4.069 3.960 0.004 0.000 0.206 775 G HA3 0.106 4.069 3.960 0.004 0.000 0.206 775 G C 0.188 175.106 174.900 0.031 0.000 1.169 775 G CA -0.060 45.057 45.100 0.030 0.000 0.819 775 G HN 0.670 nan 8.290 nan 0.000 0.517 776 E N 0.919 121.123 120.200 0.006 0.000 2.343 776 E HA 0.225 4.577 4.350 0.004 0.000 0.269 776 E C -2.536 174.143 176.600 0.132 0.000 1.047 776 E CA -2.282 54.140 56.400 0.037 0.000 0.874 776 E CB 0.921 30.619 29.700 -0.003 0.000 1.033 776 E HN 0.016 nan 8.360 nan 0.000 0.409 777 P HA 0.058 nan 4.420 nan 0.000 0.272 777 P C 0.126 177.491 177.300 0.108 0.000 1.223 777 P CA -0.173 63.029 63.100 0.171 0.000 0.784 777 P CB 0.545 32.351 31.700 0.178 0.000 0.923 778 L N 1.686 122.961 121.223 0.088 0.000 2.817 778 L HA 0.312 4.654 4.340 0.004 0.000 0.248 778 L C 1.587 178.496 176.870 0.065 0.000 1.133 778 L CA 0.650 55.525 54.840 0.058 0.000 0.935 778 L CB -0.515 41.548 42.059 0.006 0.000 1.266 778 L HN 0.337 nan 8.230 nan 0.000 0.535 779 A N -0.340 122.517 122.820 0.062 0.000 2.302 779 A HA 0.104 4.426 4.320 0.004 0.000 0.219 779 A C 0.613 178.237 177.584 0.066 0.000 1.243 779 A CA -0.353 51.714 52.037 0.051 0.000 0.856 779 A CB -0.860 18.143 19.000 0.005 0.000 0.893 779 A HN 0.330 nan 8.150 nan 0.000 0.491 780 K N 0.892 121.341 120.400 0.082 0.000 2.489 780 K HA 0.247 4.570 4.320 0.004 0.000 0.278 780 K C -2.769 173.886 176.600 0.092 0.000 1.000 780 K CA -1.212 55.128 56.287 0.089 0.000 1.012 780 K CB -0.387 32.166 32.500 0.089 0.000 0.903 780 K HN 0.028 nan 8.250 nan 0.000 0.485 781 P HA -0.020 nan 4.420 nan 0.000 0.264 781 P C -0.392 176.968 177.300 0.101 0.000 1.193 781 P CA 0.247 63.401 63.100 0.091 0.000 0.763 781 P CB 1.153 32.912 31.700 0.098 0.000 0.810 782 S N 2.266 118.034 115.700 0.114 0.000 2.495 782 S HA 0.198 4.671 4.470 0.004 0.000 0.273 782 S C 1.730 176.405 174.600 0.126 0.000 1.156 782 S CA -0.634 57.637 58.200 0.119 0.000 1.032 782 S CB 0.327 63.606 63.200 0.132 0.000 1.160 782 S HN 0.348 nan 8.310 nan 0.000 0.489 783 R N 1.216 121.784 120.500 0.113 0.000 2.112 783 R HA -0.153 4.190 4.340 0.004 0.000 0.242 783 R C 1.468 177.844 176.300 0.128 0.000 1.137 783 R CA 1.890 58.047 56.100 0.096 0.000 0.944 783 R CB -1.131 29.211 30.300 0.071 0.000 0.857 783 R HN 0.551 nan 8.270 nan 0.000 0.435 784 D N 0.352 120.874 120.400 0.204 0.000 2.110 784 D HA -0.017 4.625 4.640 0.004 0.000 0.202 784 D C 2.069 178.564 176.300 0.326 0.000 0.975 784 D CA 0.670 54.826 54.000 0.261 0.000 0.839 784 D CB -0.020 40.991 40.800 0.351 0.000 0.996 784 D HN 0.055 nan 8.370 nan 0.000 0.464 785 I N 0.505 121.278 120.570 0.337 0.000 2.163 785 I HA -0.205 3.968 4.170 0.004 0.000 0.243 785 I C 2.417 178.648 176.117 0.190 0.000 1.085 785 I CA 0.668 62.094 61.300 0.210 0.000 1.347 785 I CB -0.390 37.632 38.000 0.036 0.000 1.044 785 I HN -0.004 nan 8.210 nan 0.000 0.408 786 I N -0.071 120.596 120.570 0.161 0.000 2.208 786 I HA -0.273 3.899 4.170 0.004 0.000 0.245 786 I C 2.346 178.573 176.117 0.182 0.000 1.097 786 I CA 1.286 62.678 61.300 0.154 0.000 1.363 786 I CB -0.365 37.706 38.000 0.118 0.000 1.051 786 I HN 0.188 nan 8.210 nan 0.000 0.413 787 L N 0.080 121.393 121.223 0.149 0.000 2.127 787 L HA -0.102 4.241 4.340 0.004 0.000 0.211 787 L C 2.221 179.223 176.870 0.219 0.000 1.089 787 L CA 2.117 57.036 54.840 0.133 0.000 0.757 787 L CB -1.040 41.065 42.059 0.077 0.000 0.899 787 L HN 0.260 nan 8.230 nan 0.000 0.434 788 G N -0.674 108.277 108.800 0.252 0.000 2.395 788 G HA2 -0.134 3.829 3.960 0.004 0.000 0.214 788 G HA3 -0.134 3.829 3.960 0.004 0.000 0.214 788 G C 1.457 176.623 174.900 0.444 0.000 1.177 788 G CA 0.683 45.987 45.100 0.340 0.000 0.794 788 G HN 0.398 nan 8.290 nan 0.000 0.532 789 L N -0.796 120.626 121.223 0.333 0.000 2.465 789 L HA 0.098 4.440 4.340 0.004 0.000 0.224 789 L C 2.386 179.336 176.870 0.133 0.000 1.145 789 L CA 0.325 55.303 54.840 0.230 0.000 0.834 789 L CB -0.287 41.810 42.059 0.063 0.000 0.944 789 L HN 0.251 nan 8.230 nan 0.000 0.451 790 Y N -0.216 120.142 120.300 0.097 0.000 2.138 790 Y HA -0.297 4.255 4.550 0.004 0.000 0.286 790 Y C 2.718 178.694 175.900 0.126 0.000 1.115 790 Y CA 1.469 59.609 58.100 0.067 0.000 1.105 790 Y CB -0.548 37.964 38.460 0.086 0.000 1.004 790 Y HN 0.046 nan 8.280 nan 0.000 0.494 791 Y N 0.806 121.321 120.300 0.357 0.000 2.133 791 Y HA -0.382 4.171 4.550 0.004 0.000 0.279 791 Y C 2.458 178.382 175.900 0.039 0.000 1.209 791 Y CA 2.240 60.469 58.100 0.216 0.000 1.152 791 Y CB -0.694 37.824 38.460 0.096 0.000 0.961 791 Y HN 0.365 nan 8.280 nan 0.000 0.512 792 I N 0.023 120.633 120.570 0.068 0.000 2.286 792 I HA -0.211 3.962 4.170 0.004 0.000 0.248 792 I C 1.893 177.929 176.117 -0.135 0.000 1.115 792 I CA 2.445 63.642 61.300 -0.171 0.000 1.392 792 I CB -0.895 37.002 38.000 -0.171 0.000 1.065 792 I HN 0.552 nan 8.210 nan 0.000 0.418 793 T N -1.334 113.156 114.554 -0.107 0.000 3.144 793 T HA 0.058 4.410 4.350 0.004 0.000 0.249 793 T C 0.724 175.337 174.700 -0.145 0.000 1.089 793 T CA -0.278 61.749 62.100 -0.122 0.000 0.989 793 T CB -0.160 68.590 68.868 -0.195 0.000 0.992 793 T HN 0.307 nan 8.240 nan 0.000 0.540 794 Q N 1.404 121.136 119.800 -0.114 0.000 2.243 794 Q HA 0.537 4.880 4.340 0.004 0.000 0.252 794 Q C -0.848 175.183 176.000 0.052 0.000 0.909 794 Q CA -0.609 55.158 55.803 -0.060 0.000 0.922 794 Q CB 1.523 30.290 28.738 0.049 0.000 1.215 794 Q HN 0.208 nan 8.270 nan 0.000 0.427 795 V N 5.031 124.945 119.914 0.000 0.000 2.644 795 V HA 0.514 4.637 4.120 0.004 0.000 0.295 795 V C 0.031 176.149 176.094 0.040 0.000 1.053 795 V CA -0.514 61.804 62.300 0.030 0.000 0.987 795 V CB 1.289 33.111 31.823 -0.001 0.000 1.006 795 V HN 0.885 nan 8.190 nan 0.000 0.472 796 R N 2.822 123.381 120.500 0.098 0.000 2.664 796 R HA 0.777 5.119 4.340 0.004 0.000 0.286 796 R C -1.488 174.847 176.300 0.058 0.000 0.967 796 R CA -1.085 55.083 56.100 0.114 0.000 0.933 796 R CB 1.613 32.072 30.300 0.264 0.000 1.146 796 R HN 0.435 nan 8.270 nan 0.000 0.468 797 K N 0.921 121.345 120.400 0.040 0.000 2.378 797 K HA 0.294 4.616 4.320 0.004 0.000 0.252 797 K C -0.264 176.365 176.600 0.049 0.000 0.931 797 K CA -0.572 55.733 56.287 0.031 0.000 0.794 797 K CB 2.746 35.251 32.500 0.009 0.000 1.181 797 K HN 0.817 nan 8.250 nan 0.000 0.425 798 E N 1.201 121.427 120.200 0.044 0.000 3.441 798 E HA 0.176 4.528 4.350 0.004 0.000 0.195 798 E C -0.722 175.902 176.600 0.041 0.000 1.172 798 E CA -0.029 56.404 56.400 0.055 0.000 1.457 798 E CB 0.788 30.526 29.700 0.063 0.000 1.388 798 E HN 0.293 nan 8.360 nan 0.000 0.551 799 K N 0.882 121.300 120.400 0.030 0.000 2.535 799 K HA 0.266 4.589 4.320 0.004 0.000 0.251 799 K C -1.875 174.735 176.600 0.017 0.000 0.942 799 K CA -0.528 55.774 56.287 0.026 0.000 0.798 799 K CB 1.948 34.467 32.500 0.032 0.000 1.267 799 K HN -0.054 nan 8.250 nan 0.000 0.434 800 K N 3.165 123.573 120.400 0.013 0.000 2.621 800 K HA 0.333 4.655 4.320 0.004 0.000 0.233 800 K C -0.361 176.247 176.600 0.015 0.000 0.972 800 K CA -0.237 56.055 56.287 0.008 0.000 0.988 800 K CB 1.249 33.746 32.500 -0.004 0.000 1.187 800 K HN 0.883 nan 8.250 nan 0.000 0.471 801 G N 1.789 110.603 108.800 0.024 0.000 2.780 801 G HA2 0.249 4.212 3.960 0.004 0.000 0.198 801 G HA3 0.249 4.212 3.960 0.004 0.000 0.198 801 G C -0.084 174.839 174.900 0.038 0.000 1.067 801 G CA 0.188 45.305 45.100 0.028 0.000 0.765 801 G HN 0.574 nan 8.290 nan 0.000 0.581 802 A N 0.349 123.204 122.820 0.057 0.000 2.325 802 A HA 0.705 5.028 4.320 0.004 0.000 0.333 802 A C 0.889 178.545 177.584 0.120 0.000 1.155 802 A CA 0.070 52.164 52.037 0.096 0.000 0.814 802 A CB 0.459 19.529 19.000 0.117 0.000 1.206 802 A HN 1.281 nan 8.150 nan 0.000 0.482 803 G N -0.101 108.800 108.800 0.168 0.000 2.869 803 G HA2 0.099 4.062 3.960 0.004 0.000 0.261 803 G HA3 0.099 4.062 3.960 0.004 0.000 0.261 803 G C 0.460 175.227 174.900 -0.220 0.000 0.468 803 G CA 0.768 45.935 45.100 0.111 0.000 1.141 803 G HN 1.847 nan 8.290 nan 0.000 0.235 804 L N -1.337 119.775 121.223 -0.185 0.000 3.069 804 L HA 0.490 4.833 4.340 0.004 0.000 0.271 804 L C 0.740 177.517 176.870 -0.155 0.000 1.201 804 L CA -0.268 54.449 54.840 -0.206 0.000 1.015 804 L CB 0.431 42.435 42.059 -0.091 0.000 1.371 804 L HN 0.462 nan 8.230 nan 0.000 0.574 805 E N 0.429 120.553 120.200 -0.126 0.000 2.368 805 E HA 0.031 4.384 4.350 0.004 0.000 0.283 805 E C 0.676 177.285 176.600 0.014 0.000 1.476 805 E CA -0.283 56.093 56.400 -0.039 0.000 1.786 805 E CB -0.057 29.642 29.700 -0.001 0.000 1.518 805 E HN 0.451 nan 8.360 nan 0.000 0.456 806 F N 1.668 121.563 119.950 -0.092 0.000 2.546 806 F HA 0.030 4.559 4.527 0.004 0.000 0.298 806 F C 2.003 177.796 175.800 -0.012 0.000 1.120 806 F CA 0.465 58.452 58.000 -0.021 0.000 1.456 806 F CB -0.083 38.903 39.000 -0.024 0.000 1.088 806 F HN 0.244 nan 8.300 nan 0.000 0.572 807 A N -0.061 122.552 122.820 -0.346 0.000 1.997 807 A HA -0.267 4.056 4.320 0.004 0.000 0.221 807 A C 2.138 179.448 177.584 -0.456 0.000 1.172 807 A CA 2.872 54.662 52.037 -0.411 0.000 0.645 807 A CB -1.254 17.633 19.000 -0.189 0.000 0.813 807 A HN 0.543 nan 8.150 nan 0.000 0.454 808 T N -3.873 110.482 114.554 -0.333 0.000 3.151 808 T HA 0.284 4.636 4.350 0.004 0.000 0.239 808 T C -1.736 172.866 174.700 -0.163 0.000 0.979 808 T CA -0.146 61.824 62.100 -0.216 0.000 1.194 808 T CB -1.482 67.323 68.868 -0.104 0.000 0.982 808 T HN 0.276 nan 8.240 nan 0.000 0.428 809 P HA 0.349 nan 4.420 nan 0.000 0.275 809 P C 0.345 177.757 177.300 0.186 0.000 1.228 809 P CA -0.262 62.872 63.100 0.057 0.000 0.786 809 P CB 0.974 32.731 31.700 0.096 0.000 0.927 810 E N 0.826 121.126 120.200 0.166 0.000 2.371 810 E HA -0.149 4.203 4.350 0.004 0.000 0.194 810 E C 1.395 178.093 176.600 0.164 0.000 1.012 810 E CA 0.688 57.222 56.400 0.223 0.000 0.860 810 E CB -0.173 29.603 29.700 0.127 0.000 0.811 810 E HN 0.470 nan 8.360 nan 0.000 0.502 811 E N 0.291 120.564 120.200 0.122 0.000 2.435 811 E HA 0.092 4.445 4.350 0.004 0.000 0.195 811 E C 1.697 178.349 176.600 0.086 0.000 1.029 811 E CA 0.779 57.221 56.400 0.070 0.000 0.865 811 E CB -0.002 29.721 29.700 0.037 0.000 0.833 811 E HN 0.390 nan 8.360 nan 0.000 0.510 812 A N 0.304 123.254 122.820 0.217 0.000 2.021 812 A HA 0.009 4.331 4.320 0.004 0.000 0.216 812 A C 1.989 179.798 177.584 0.376 0.000 1.163 812 A CA 0.953 53.220 52.037 0.384 0.000 0.676 812 A CB -0.436 18.849 19.000 0.476 0.000 0.818 812 A HN 0.378 nan 8.150 nan 0.000 0.453 813 L N -1.932 119.427 121.223 0.226 0.000 2.068 813 L HA 0.279 4.621 4.340 0.004 0.000 0.204 813 L C 2.402 179.176 176.870 -0.162 0.000 1.076 813 L CA 1.932 56.593 54.840 -0.297 0.000 0.753 813 L CB -1.340 40.483 42.059 -0.394 0.000 0.910 813 L HN 0.110 nan 8.230 nan 0.000 0.439 814 A N 0.555 123.339 122.820 -0.061 0.000 1.841 814 A HA 0.056 4.379 4.320 0.004 0.000 0.214 814 A C 2.546 180.087 177.584 -0.072 0.000 1.195 814 A CA 2.125 54.125 52.037 -0.061 0.000 0.611 814 A CB -1.335 17.646 19.000 -0.032 0.000 0.835 814 A HN 0.587 nan 8.150 nan 0.000 0.443 815 A N -1.130 121.636 122.820 -0.091 0.000 1.883 815 A HA -0.212 4.111 4.320 0.004 0.000 0.217 815 A C 1.977 179.439 177.584 -0.204 0.000 1.186 815 A CA 1.650 53.585 52.037 -0.171 0.000 0.624 815 A CB -0.947 17.895 19.000 -0.263 0.000 0.822 815 A HN 0.676 nan 8.150 nan 0.000 0.444 816 H N -1.123 117.927 119.070 -0.034 0.000 2.551 816 H HA 0.086 4.645 4.556 0.004 0.000 0.266 816 H C 1.656 176.935 175.328 -0.081 0.000 0.977 816 H CA 0.968 56.990 56.048 -0.042 0.000 1.163 816 H CB 0.202 29.951 29.762 -0.021 0.000 1.381 816 H HN 0.688 nan 8.280 nan 0.000 0.581 817 E N 0.754 120.938 120.200 -0.026 0.000 2.190 817 E HA -0.022 4.331 4.350 0.004 0.000 0.191 817 E C 1.829 178.395 176.600 -0.057 0.000 0.978 817 E CA 0.057 56.411 56.400 -0.076 0.000 0.839 817 E CB 0.432 30.062 29.700 -0.115 0.000 0.787 817 E HN 0.397 nan 8.360 nan 0.000 0.473 818 R N -0.532 119.939 120.500 -0.049 0.000 2.100 818 R HA 0.049 4.392 4.340 0.004 0.000 0.220 818 R C 2.371 178.654 176.300 -0.028 0.000 1.091 818 R CA 0.888 56.964 56.100 -0.039 0.000 0.986 818 R CB -0.193 30.081 30.300 -0.043 0.000 0.888 818 R HN 0.061 nan 8.270 nan 0.000 0.444 819 G N 1.214 109.997 108.800 -0.028 0.000 2.422 819 G HA2 -0.265 3.697 3.960 0.004 0.000 0.218 819 G HA3 -0.265 3.697 3.960 0.004 0.000 0.218 819 G C 1.309 176.215 174.900 0.009 0.000 1.140 819 G CA 0.317 45.412 45.100 -0.008 0.000 0.775 819 G HN 0.251 nan 8.290 nan 0.000 0.545 820 E N 0.627 120.828 120.200 0.003 0.000 2.028 820 E HA -0.091 4.262 4.350 0.004 0.000 0.190 820 E C 2.725 179.316 176.600 -0.014 0.000 0.984 820 E CA 1.048 57.443 56.400 -0.008 0.000 0.800 820 E CB -0.235 29.444 29.700 -0.037 0.000 0.758 820 E HN 0.222 nan 8.360 nan 0.000 0.448 821 V N 2.054 121.956 119.914 -0.022 0.000 2.453 821 V HA -0.265 3.857 4.120 0.004 0.000 0.252 821 V C 2.027 178.120 176.094 -0.002 0.000 1.068 821 V CA 1.553 63.846 62.300 -0.012 0.000 1.070 821 V CB -1.101 30.714 31.823 -0.013 0.000 0.664 821 V HN 0.353 nan 8.190 nan 0.000 0.461 822 A N 0.161 122.979 122.820 -0.003 0.000 2.662 822 A HA 0.326 4.649 4.320 0.004 0.000 0.234 822 A C 1.257 178.846 177.584 0.008 0.000 1.851 822 A CA 0.907 52.945 52.037 0.002 0.000 0.877 822 A CB -0.122 18.878 19.000 -0.000 0.000 1.697 822 A HN 0.359 nan 8.150 nan 0.000 0.700 823 L N -1.705 119.525 121.223 0.012 0.000 2.701 823 L HA 0.242 4.584 4.340 0.004 0.000 0.238 823 L C 1.910 178.793 176.870 0.021 0.000 1.106 823 L CA 0.396 55.246 54.840 0.017 0.000 0.898 823 L CB -0.497 41.572 42.059 0.017 0.000 1.188 823 L HN 0.760 nan 8.230 nan 0.000 0.508 824 N N 1.197 119.910 118.700 0.022 0.000 2.080 824 N HA -0.023 4.720 4.740 0.004 0.000 0.189 824 N C 0.752 176.286 175.510 0.040 0.000 1.036 824 N CA 0.899 53.968 53.050 0.032 0.000 0.846 824 N CB 0.236 38.744 38.487 0.035 0.000 1.015 824 N HN 0.322 nan 8.380 nan 0.000 0.423 825 A N 1.323 124.168 122.820 0.041 0.000 2.288 825 A HA 0.538 4.861 4.320 0.004 0.000 0.320 825 A C -2.470 175.123 177.584 0.014 0.000 1.217 825 A CA -1.383 50.678 52.037 0.039 0.000 0.840 825 A CB 1.321 20.362 19.000 0.068 0.000 1.179 825 A HN 0.116 nan 8.150 nan 0.000 0.504 826 P HA 0.261 nan 4.420 nan 0.000 0.275 826 P C 0.812 178.104 177.300 -0.014 0.000 1.266 826 P CA -0.444 62.660 63.100 0.006 0.000 0.793 826 P CB 0.595 32.306 31.700 0.018 0.000 1.074 827 I N -0.271 120.290 120.570 -0.015 0.000 2.830 827 I HA -0.109 4.064 4.170 0.004 0.000 0.263 827 I C 0.783 176.884 176.117 -0.027 0.000 1.230 827 I CA 1.171 62.447 61.300 -0.040 0.000 1.480 827 I CB -0.224 37.763 38.000 -0.022 0.000 1.095 827 I HN 0.241 nan 8.210 nan 0.000 0.455 828 K N 1.492 121.890 120.400 -0.003 0.000 2.687 828 K HA 0.486 4.809 4.320 0.004 0.000 0.197 828 K C -1.185 175.417 176.600 0.003 0.000 1.049 828 K CA -0.266 56.023 56.287 0.003 0.000 1.030 828 K CB 1.171 33.686 32.500 0.025 0.000 1.261 828 K HN -0.171 nan 8.250 nan 0.000 0.565 829 V N 0.696 120.604 119.914 -0.010 0.000 2.581 829 V HA 0.474 4.597 4.120 0.004 0.000 0.303 829 V C 0.528 176.611 176.094 -0.017 0.000 1.041 829 V CA -1.199 61.093 62.300 -0.013 0.000 0.907 829 V CB 1.761 33.569 31.823 -0.025 0.000 0.994 829 V HN 0.690 nan 8.190 nan 0.000 0.442 830 A N 2.943 125.754 122.820 -0.015 0.000 2.898 830 A HA 0.504 4.827 4.320 0.004 0.000 0.288 830 A C 0.805 178.372 177.584 -0.029 0.000 1.771 830 A CA 0.571 52.598 52.037 -0.017 0.000 1.383 830 A CB -0.982 18.010 19.000 -0.013 0.000 1.028 830 A HN 1.241 nan 8.150 nan 0.000 0.595 831 G N 1.809 110.593 108.800 -0.027 0.000 3.164 831 G HA2 0.414 4.377 3.960 0.004 0.000 0.312 831 G HA3 0.414 4.377 3.960 0.004 0.000 0.312 831 G C 0.555 175.452 174.900 -0.005 0.000 1.530 831 G CA -0.497 44.585 45.100 -0.030 0.000 1.079 831 G HN 0.735 nan 8.290 nan 0.000 0.527 832 R N 0.965 121.457 120.500 -0.014 0.000 2.487 832 R HA -0.321 4.022 4.340 0.004 0.000 0.192 832 R C 2.263 178.563 176.300 -0.001 0.000 0.995 832 R CA 2.821 58.914 56.100 -0.012 0.000 0.645 832 R CB -0.306 29.979 30.300 -0.025 0.000 0.840 832 R HN 0.512 nan 8.270 nan 0.000 0.351 833 E N -1.055 119.143 120.200 -0.003 0.000 2.013 833 E HA -0.116 4.236 4.350 0.004 0.000 0.202 833 E C 0.417 177.051 176.600 0.057 0.000 1.018 833 E CA 1.924 58.332 56.400 0.013 0.000 0.834 833 E CB -0.103 29.583 29.700 -0.023 0.000 0.770 833 E HN 0.501 nan 8.360 nan 0.000 0.459 834 T N -1.329 113.299 114.554 0.123 0.000 3.143 834 T HA 0.385 4.738 4.350 0.004 0.000 0.312 834 T C -0.489 174.254 174.700 0.072 0.000 0.986 834 T CA -0.440 61.721 62.100 0.102 0.000 1.024 834 T CB 1.177 70.125 68.868 0.134 0.000 1.030 834 T HN 0.090 nan 8.240 nan 0.000 0.448 835 S N 3.029 118.736 115.700 0.011 0.000 2.579 835 S HA 0.132 4.605 4.470 0.004 0.000 0.275 835 S C 1.821 176.382 174.600 -0.065 0.000 1.345 835 S CA 0.013 58.199 58.200 -0.024 0.000 1.031 835 S CB 0.864 64.048 63.200 -0.027 0.000 0.892 835 S HN 1.120 nan 8.310 nan 0.000 0.529 836 V N 5.082 124.942 119.914 -0.090 0.000 2.764 836 V HA -0.091 4.031 4.120 0.004 0.000 0.261 836 V C 2.026 178.010 176.094 -0.183 0.000 1.108 836 V CA 2.704 64.918 62.300 -0.144 0.000 1.129 836 V CB -1.326 30.430 31.823 -0.112 0.000 0.701 836 V HN 1.026 nan 8.190 nan 0.000 0.495 837 G N -0.553 108.159 108.800 -0.146 0.000 2.448 837 G HA2 -0.237 3.726 3.960 0.004 0.000 0.219 837 G HA3 -0.237 3.726 3.960 0.004 0.000 0.219 837 G C 1.665 176.447 174.900 -0.197 0.000 1.127 837 G CA 0.790 45.783 45.100 -0.177 0.000 0.766 837 G HN 0.534 nan 8.290 nan 0.000 0.552 838 R N -1.233 119.180 120.500 -0.146 0.000 2.189 838 R HA 0.322 4.665 4.340 0.004 0.000 0.203 838 R C 2.261 178.467 176.300 -0.158 0.000 1.012 838 R CA -0.170 55.850 56.100 -0.133 0.000 1.015 838 R CB -0.292 29.965 30.300 -0.070 0.000 0.938 838 R HN 0.242 nan 8.270 nan 0.000 0.472 839 L N 1.306 122.418 121.223 -0.185 0.000 2.017 839 L HA -0.147 4.196 4.340 0.004 0.000 0.208 839 L C 1.965 178.710 176.870 -0.208 0.000 1.073 839 L CA 1.829 56.536 54.840 -0.221 0.000 0.745 839 L CB -0.170 41.697 42.059 -0.319 0.000 0.894 839 L HN 0.014 nan 8.230 nan 0.000 0.432 840 K N -1.801 118.429 120.400 -0.284 0.000 2.057 840 K HA -0.094 4.229 4.320 0.004 0.000 0.206 840 K C -0.205 176.295 176.600 -0.168 0.000 1.050 840 K CA 1.051 57.130 56.287 -0.346 0.000 0.935 840 K CB 0.004 32.085 32.500 -0.699 0.000 0.715 840 K HN 0.227 nan 8.250 nan 0.000 0.439 841 Y N -0.101 120.104 120.300 -0.158 0.000 2.409 841 Y HA 0.408 4.961 4.550 0.004 0.000 0.343 841 Y C -0.709 174.894 175.900 -0.495 0.000 0.973 841 Y CA -1.559 56.373 58.100 -0.279 0.000 1.064 841 Y CB 2.055 40.328 38.460 -0.311 0.000 1.207 841 Y HN -0.371 nan 8.280 nan 0.000 0.452 842 V N 3.554 123.300 119.914 -0.280 0.000 2.569 842 V HA 0.400 4.523 4.120 0.004 0.000 0.301 842 V C -0.979 175.041 176.094 -0.123 0.000 1.044 842 V CA -1.197 60.935 62.300 -0.280 0.000 0.874 842 V CB 1.359 33.141 31.823 -0.069 0.000 1.002 842 V HN 0.619 nan 8.190 nan 0.000 0.424 843 F N 2.251 122.232 119.950 0.052 0.000 2.426 843 F HA 0.700 5.230 4.527 0.004 0.000 0.348 843 F C 1.262 177.071 175.800 0.015 0.000 1.124 843 F CA -0.761 57.255 58.000 0.026 0.000 1.008 843 F CB 2.025 41.040 39.000 0.024 0.000 1.139 843 F HN 0.645 nan 8.300 nan 0.000 0.452 844 A N 3.396 126.335 122.820 0.198 0.000 1.881 844 A HA -0.145 4.178 4.320 0.004 0.000 0.208 844 A C 0.899 178.520 177.584 0.062 0.000 1.264 844 A CA 1.029 53.122 52.037 0.095 0.000 0.629 844 A CB -0.659 18.377 19.000 0.061 0.000 0.906 844 A HN 0.736 nan 8.150 nan 0.000 0.476 845 N N -0.378 118.338 118.700 0.026 0.000 2.326 845 N HA 0.217 4.960 4.740 0.004 0.000 0.239 845 N C -2.009 173.491 175.510 -0.016 0.000 1.301 845 N CA -1.030 52.005 53.050 -0.024 0.000 0.909 845 N CB 0.593 39.056 38.487 -0.039 0.000 1.156 845 N HN -0.049 nan 8.380 nan 0.000 0.462 846 P HA -0.085 nan 4.420 nan 0.000 0.214 846 P C 0.194 177.485 177.300 -0.015 0.000 1.162 846 P CA 1.242 64.315 63.100 -0.045 0.000 0.879 846 P CB 0.135 31.748 31.700 -0.145 0.000 0.786 847 D N -0.025 120.350 120.400 -0.042 0.000 2.149 847 D HA -0.216 4.427 4.640 0.004 0.000 0.194 847 D C 1.700 177.950 176.300 -0.084 0.000 1.001 847 D CA 1.177 55.150 54.000 -0.046 0.000 0.849 847 D CB -0.926 39.848 40.800 -0.044 0.000 0.939 847 D HN 0.368 nan 8.370 nan 0.000 0.449 848 E N 0.729 120.874 120.200 -0.092 0.000 2.147 848 E HA -0.238 4.114 4.350 0.004 0.000 0.199 848 E C 2.092 178.429 176.600 -0.438 0.000 1.005 848 E CA 1.255 57.550 56.400 -0.175 0.000 0.810 848 E CB -0.191 29.465 29.700 -0.072 0.000 0.736 848 E HN 0.336 nan 8.360 nan 0.000 0.460 849 A N 1.029 123.654 122.820 -0.326 0.000 1.873 849 A HA -0.143 4.179 4.320 0.004 0.000 0.215 849 A C 2.149 179.516 177.584 -0.362 0.000 1.186 849 A CA 1.055 52.823 52.037 -0.448 0.000 0.616 849 A CB -0.433 18.648 19.000 0.135 0.000 0.823 849 A HN 0.150 nan 8.150 nan 0.000 0.442 850 L N -0.119 121.005 121.223 -0.165 0.000 2.240 850 L HA 0.028 4.371 4.340 0.004 0.000 0.211 850 L C 2.280 179.062 176.870 -0.147 0.000 1.106 850 L CA 0.966 55.745 54.840 -0.102 0.000 0.793 850 L CB -0.352 41.694 42.059 -0.023 0.000 0.927 850 L HN 0.406 nan 8.230 nan 0.000 0.446 851 L N -1.292 119.826 121.223 -0.174 0.000 2.083 851 L HA -0.174 4.169 4.340 0.004 0.000 0.209 851 L C 2.621 179.429 176.870 -0.103 0.000 1.083 851 L CA 1.161 55.919 54.840 -0.136 0.000 0.752 851 L CB -1.201 40.818 42.059 -0.067 0.000 0.899 851 L HN 0.256 nan 8.230 nan 0.000 0.433 852 A N 0.016 122.695 122.820 -0.234 0.000 1.972 852 A HA -0.088 4.235 4.320 0.004 0.000 0.219 852 A C 2.369 179.881 177.584 -0.120 0.000 1.169 852 A CA 1.508 53.407 52.037 -0.229 0.000 0.635 852 A CB -0.651 18.006 19.000 -0.571 0.000 0.810 852 A HN 0.206 nan 8.150 nan 0.000 0.446 853 V N -0.227 119.612 119.914 -0.126 0.000 2.270 853 V HA -0.214 3.909 4.120 0.004 0.000 0.245 853 V C 3.053 179.111 176.094 -0.060 0.000 1.043 853 V CA 1.868 64.134 62.300 -0.056 0.000 1.014 853 V CB -1.280 30.520 31.823 -0.039 0.000 0.645 853 V HN 0.583 nan 8.190 nan 0.000 0.447 854 A N -1.040 121.706 122.820 -0.123 0.000 1.978 854 A HA -0.247 4.076 4.320 0.004 0.000 0.220 854 A C 1.991 179.460 177.584 -0.191 0.000 1.170 854 A CA 1.734 53.665 52.037 -0.177 0.000 0.636 854 A CB -0.719 18.111 19.000 -0.283 0.000 0.810 854 A HN 0.691 nan 8.150 nan 0.000 0.448 855 H N -1.225 117.816 119.070 -0.048 0.000 2.547 855 H HA 0.213 4.771 4.556 0.004 0.000 0.266 855 H C 1.611 176.920 175.328 -0.031 0.000 0.988 855 H CA 0.598 56.619 56.048 -0.044 0.000 1.147 855 H CB -0.090 29.631 29.762 -0.069 0.000 1.365 855 H HN 0.644 nan 8.280 nan 0.000 0.589 856 G N 1.086 109.922 108.800 0.059 0.000 2.132 856 G HA2 -0.220 3.743 3.960 0.004 0.000 0.228 856 G HA3 -0.220 3.743 3.960 0.004 0.000 0.228 856 G C 0.958 175.893 174.900 0.059 0.000 1.000 856 G CA 0.437 45.568 45.100 0.051 0.000 0.693 856 G HN 0.309 nan 8.290 nan 0.000 0.515 857 I N -0.867 119.726 120.570 0.040 0.000 2.628 857 I HA 0.201 4.374 4.170 0.004 0.000 0.255 857 I C 1.107 177.304 176.117 0.133 0.000 1.119 857 I CA 0.871 62.190 61.300 0.033 0.000 1.448 857 I CB -0.542 37.373 38.000 -0.142 0.000 1.133 857 I HN 0.075 nan 8.210 nan 0.000 0.438 858 V N 1.810 121.788 119.914 0.108 0.000 2.638 858 V HA 0.344 4.467 4.120 0.004 0.000 0.306 858 V C -0.641 175.513 176.094 0.099 0.000 1.052 858 V CA -1.059 61.350 62.300 0.181 0.000 0.885 858 V CB 2.651 34.644 31.823 0.283 0.000 0.999 858 V HN 0.038 nan 8.190 nan 0.000 0.424 859 D N 1.881 122.332 120.400 0.084 0.000 2.360 859 D HA 0.273 4.916 4.640 0.004 0.000 0.242 859 D C 0.993 177.297 176.300 0.007 0.000 1.184 859 D CA -0.223 53.790 54.000 0.022 0.000 0.930 859 D CB 1.420 42.217 40.800 -0.005 0.000 1.161 859 D HN 0.299 nan 8.370 nan 0.000 0.447 860 L N 0.689 121.877 121.223 -0.058 0.000 2.201 860 L HA -0.134 4.209 4.340 0.004 0.000 0.212 860 L C 1.837 178.663 176.870 -0.073 0.000 1.105 860 L CA 1.309 56.106 54.840 -0.072 0.000 0.775 860 L CB -0.480 41.483 42.059 -0.161 0.000 0.913 860 L HN 0.209 nan 8.230 nan 0.000 0.440 861 Q N -0.680 119.052 119.800 -0.113 0.000 2.280 861 Q HA 0.111 4.453 4.340 0.004 0.000 0.202 861 Q C -0.084 175.931 176.000 0.025 0.000 0.903 861 Q CA 0.135 55.901 55.803 -0.062 0.000 0.948 861 Q CB -0.150 28.519 28.738 -0.116 0.000 1.058 861 Q HN 0.240 nan 8.270 nan 0.000 0.493 862 D N -0.290 120.134 120.400 0.039 0.000 2.253 862 D HA 0.162 4.804 4.640 0.004 0.000 0.249 862 D C -0.528 175.813 176.300 0.068 0.000 1.049 862 D CA -0.618 53.423 54.000 0.068 0.000 0.929 862 D CB 1.536 42.394 40.800 0.096 0.000 1.176 862 D HN -0.063 nan 8.370 nan 0.000 0.437 863 V N 1.514 121.458 119.914 0.049 0.000 2.387 863 V HA 0.411 4.533 4.120 0.004 0.000 0.260 863 V C 0.363 176.469 176.094 0.019 0.000 1.054 863 V CA -0.484 61.834 62.300 0.030 0.000 0.967 863 V CB 0.169 31.999 31.823 0.011 0.000 1.036 863 V HN 0.218 nan 8.190 nan 0.000 0.481 864 V N 3.149 123.079 119.914 0.025 0.000 3.155 864 V HA 0.743 4.865 4.120 0.004 0.000 0.313 864 V C 0.435 176.486 176.094 -0.072 0.000 1.162 864 V CA -0.341 61.934 62.300 -0.041 0.000 1.048 864 V CB 2.301 34.112 31.823 -0.021 0.000 1.092 864 V HN 0.930 nan 8.190 nan 0.000 0.447 865 T N -0.791 113.659 114.554 -0.173 0.000 2.824 865 T HA 0.830 5.183 4.350 0.004 0.000 0.280 865 T C -0.780 173.858 174.700 -0.103 0.000 0.995 865 T CA -0.609 61.423 62.100 -0.114 0.000 1.009 865 T CB 1.511 70.312 68.868 -0.111 0.000 0.955 865 T HN 0.514 nan 8.240 nan 0.000 0.452 866 V N 2.170 122.091 119.914 0.012 0.000 2.971 866 V HA 0.573 4.696 4.120 0.004 0.000 0.309 866 V C -0.341 175.808 176.094 0.092 0.000 1.130 866 V CA -1.170 61.188 62.300 0.096 0.000 0.964 866 V CB 2.357 34.293 31.823 0.188 0.000 1.029 866 V HN 0.997 nan 8.190 nan 0.000 0.427 867 R N 2.784 123.340 120.500 0.093 0.000 2.196 867 R HA 0.377 4.719 4.340 0.004 0.000 0.340 867 R C -1.667 174.673 176.300 0.067 0.000 1.043 867 R CA -0.093 56.047 56.100 0.067 0.000 0.883 867 R CB 0.607 30.929 30.300 0.037 0.000 1.078 867 R HN 0.738 nan 8.270 nan 0.000 0.462 868 Y N 3.391 123.665 120.300 -0.042 0.000 2.565 868 Y HA 0.110 4.663 4.550 0.004 0.000 0.325 868 Y C 1.830 177.684 175.900 -0.076 0.000 1.221 868 Y CA -0.311 57.748 58.100 -0.069 0.000 1.316 868 Y CB 1.035 39.420 38.460 -0.125 0.000 1.404 868 Y HN 0.576 nan 8.280 nan 0.000 0.527 869 M N 0.619 120.222 119.600 0.005 0.000 2.168 869 M HA -0.295 4.187 4.480 0.004 0.000 0.248 869 M C 1.195 177.505 176.300 0.017 0.000 1.086 869 M CA 2.577 57.878 55.300 0.001 0.000 1.070 869 M CB -0.685 31.965 32.600 0.083 0.000 1.332 869 M HN 0.826 nan 8.290 nan 0.000 0.399 870 G N -0.693 108.124 108.800 0.028 0.000 4.250 870 G HA2 0.257 4.220 3.960 0.004 0.000 0.242 870 G HA3 0.257 4.220 3.960 0.004 0.000 0.242 870 G C -0.252 174.645 174.900 -0.005 0.000 1.075 870 G CA -0.497 44.606 45.100 0.005 0.000 0.846 870 G HN 0.253 nan 8.290 nan 0.000 0.445 871 K N 0.483 120.882 120.400 -0.001 0.000 2.469 871 K HA 0.496 4.819 4.320 0.004 0.000 0.254 871 K C -0.736 175.869 176.600 0.009 0.000 0.939 871 K CA -0.973 55.304 56.287 -0.018 0.000 0.812 871 K CB 2.363 34.818 32.500 -0.076 0.000 1.301 871 K HN -0.061 nan 8.250 nan 0.000 0.433 872 R N 2.447 122.949 120.500 0.002 0.000 2.419 872 R HA 0.231 4.573 4.340 0.004 0.000 0.305 872 R C -0.529 175.771 176.300 0.000 0.000 1.242 872 R CA -0.216 55.890 56.100 0.010 0.000 1.105 872 R CB -0.272 30.032 30.300 0.007 0.000 1.116 872 R HN 0.294 nan 8.270 nan 0.000 0.523 873 L N 2.505 123.732 121.223 0.007 0.000 2.289 873 L HA 0.253 4.596 4.340 0.004 0.000 0.285 873 L C 0.371 177.242 176.870 0.002 0.000 1.049 873 L CA -0.394 54.438 54.840 -0.013 0.000 0.804 873 L CB 1.411 43.442 42.059 -0.045 0.000 1.195 873 L HN 0.391 nan 8.230 nan 0.000 0.428 874 E N 2.708 122.904 120.200 -0.005 0.000 2.069 874 E HA 0.243 4.595 4.350 0.004 0.000 0.254 874 E C -0.884 175.719 176.600 0.005 0.000 1.088 874 E CA -0.188 56.211 56.400 -0.002 0.000 1.017 874 E CB 0.466 30.164 29.700 -0.003 0.000 1.226 874 E HN 0.499 nan 8.360 nan 0.000 0.458 875 T N 0.712 115.278 114.554 0.020 0.000 2.916 875 T HA 0.211 4.564 4.350 0.004 0.000 0.298 875 T C 0.041 174.777 174.700 0.060 0.000 1.031 875 T CA -0.938 61.181 62.100 0.032 0.000 0.993 875 T CB 1.604 70.487 68.868 0.026 0.000 1.045 875 T HN 0.396 nan 8.240 nan 0.000 0.454 876 S N 3.056 118.789 115.700 0.055 0.000 2.569 876 S HA 0.114 4.586 4.470 0.004 0.000 0.274 876 S C -1.709 172.951 174.600 0.100 0.000 1.353 876 S CA -0.566 57.677 58.200 0.071 0.000 1.023 876 S CB 0.307 63.532 63.200 0.041 0.000 0.876 876 S HN 0.350 nan 8.310 nan 0.000 0.540 877 P HA -0.032 nan 4.420 nan 0.000 0.214 877 P C 1.831 179.191 177.300 0.099 0.000 1.163 877 P CA 1.857 65.032 63.100 0.126 0.000 0.889 877 P CB -0.604 31.163 31.700 0.111 0.000 0.790 878 G N 0.386 109.216 108.800 0.050 0.000 2.553 878 G HA2 -0.299 3.664 3.960 0.004 0.000 0.218 878 G HA3 -0.299 3.664 3.960 0.004 0.000 0.218 878 G C 1.594 176.574 174.900 0.133 0.000 1.195 878 G CA 0.839 45.967 45.100 0.048 0.000 0.779 878 G HN 0.170 nan 8.290 nan 0.000 0.577 879 R N -0.045 120.517 120.500 0.104 0.000 2.139 879 R HA -0.012 4.331 4.340 0.004 0.000 0.243 879 R C 2.487 178.899 176.300 0.186 0.000 1.145 879 R CA 0.933 57.120 56.100 0.145 0.000 0.976 879 R CB -0.742 29.610 30.300 0.085 0.000 0.866 879 R HN 0.490 nan 8.270 nan 0.000 0.449 880 I N 0.474 121.139 120.570 0.159 0.000 2.500 880 I HA -0.205 3.968 4.170 0.004 0.000 0.252 880 I C 2.032 178.257 176.117 0.181 0.000 1.142 880 I CA 0.420 61.824 61.300 0.173 0.000 1.451 880 I CB 0.089 38.201 38.000 0.187 0.000 1.093 880 I HN 0.040 nan 8.210 nan 0.000 0.430 881 L N 0.011 121.349 121.223 0.191 0.000 2.072 881 L HA -0.179 4.163 4.340 0.004 0.000 0.205 881 L C 2.098 179.087 176.870 0.199 0.000 1.079 881 L CA 1.796 56.752 54.840 0.193 0.000 0.752 881 L CB -0.996 41.215 42.059 0.253 0.000 0.906 881 L HN 0.212 nan 8.230 nan 0.000 0.436 882 F N 0.583 120.591 119.950 0.097 0.000 2.134 882 F HA -0.177 4.353 4.527 0.004 0.000 0.299 882 F C 2.342 178.158 175.800 0.026 0.000 1.097 882 F CA 1.318 59.354 58.000 0.061 0.000 1.264 882 F CB -0.851 38.202 39.000 0.087 0.000 1.001 882 F HN 0.153 nan 8.300 nan 0.000 0.479 883 A N 0.799 123.621 122.820 0.002 0.000 1.917 883 A HA -0.272 4.051 4.320 0.004 0.000 0.219 883 A C 2.501 180.028 177.584 -0.094 0.000 1.182 883 A CA 2.015 54.005 52.037 -0.080 0.000 0.633 883 A CB -0.958 18.069 19.000 0.045 0.000 0.819 883 A HN 0.482 nan 8.150 nan 0.000 0.448 884 R N -0.149 120.334 120.500 -0.029 0.000 2.070 884 R HA -0.110 4.232 4.340 0.004 0.000 0.232 884 R C 2.075 178.281 176.300 -0.156 0.000 1.138 884 R CA 1.868 57.942 56.100 -0.042 0.000 0.936 884 R CB -0.537 29.758 30.300 -0.009 0.000 0.839 884 R HN 0.538 nan 8.270 nan 0.000 0.429 885 I N 0.968 121.374 120.570 -0.273 0.000 2.143 885 I HA -0.366 3.807 4.170 0.004 0.000 0.245 885 I C 2.436 178.369 176.117 -0.307 0.000 1.068 885 I CA 1.712 62.758 61.300 -0.424 0.000 1.326 885 I CB -0.463 37.165 38.000 -0.620 0.000 1.028 885 I HN 0.102 nan 8.210 nan 0.000 0.412 886 V N 1.024 120.708 119.914 -0.382 0.000 2.270 886 V HA -0.278 3.845 4.120 0.004 0.000 0.245 886 V C 2.761 178.759 176.094 -0.159 0.000 1.043 886 V CA 1.990 64.109 62.300 -0.302 0.000 1.014 886 V CB -1.157 30.416 31.823 -0.416 0.000 0.645 886 V HN 0.531 nan 8.190 nan 0.000 0.447 887 A N -0.713 122.034 122.820 -0.123 0.000 2.032 887 A HA -0.301 4.022 4.320 0.004 0.000 0.221 887 A C 2.279 179.839 177.584 -0.041 0.000 1.165 887 A CA 2.247 54.260 52.037 -0.040 0.000 0.645 887 A CB -0.460 18.550 19.000 0.017 0.000 0.807 887 A HN 0.674 nan 8.150 nan 0.000 0.453 888 E N -0.531 119.629 120.200 -0.067 0.000 2.042 888 E HA 0.032 4.385 4.350 0.004 0.000 0.189 888 E C 2.294 178.869 176.600 -0.041 0.000 0.974 888 E CA 0.689 57.060 56.400 -0.048 0.000 0.806 888 E CB -0.242 29.426 29.700 -0.054 0.000 0.769 888 E HN 0.494 nan 8.360 nan 0.000 0.451 889 A N 0.898 123.686 122.820 -0.054 0.000 1.896 889 A HA -0.154 4.169 4.320 0.004 0.000 0.220 889 A C 1.268 178.828 177.584 -0.039 0.000 1.206 889 A CA 1.489 53.503 52.037 -0.038 0.000 0.647 889 A CB -0.391 18.582 19.000 -0.045 0.000 0.828 889 A HN 0.171 nan 8.150 nan 0.000 0.455 890 V N 0.143 120.030 119.914 -0.045 0.000 2.326 890 V HA 0.227 4.350 4.120 0.004 0.000 0.281 890 V C 0.865 176.943 176.094 -0.026 0.000 1.015 890 V CA -0.253 62.025 62.300 -0.037 0.000 0.823 890 V CB 1.235 33.034 31.823 -0.041 0.000 1.009 890 V HN 0.550 nan 8.190 nan 0.000 0.436 891 E N 2.798 122.986 120.200 -0.020 0.000 2.219 891 E HA -0.183 4.170 4.350 0.004 0.000 0.198 891 E C 0.495 177.096 176.600 0.002 0.000 0.998 891 E CA 1.083 57.477 56.400 -0.010 0.000 0.818 891 E CB -0.108 29.585 29.700 -0.011 0.000 0.741 891 E HN 0.821 nan 8.360 nan 0.000 0.477 892 D N 0.615 121.015 120.400 0.000 0.000 2.541 892 D HA -0.014 4.629 4.640 0.004 0.000 0.231 892 D C 0.826 177.145 176.300 0.033 0.000 1.163 892 D CA 0.094 54.103 54.000 0.014 0.000 1.077 892 D CB 0.177 40.980 40.800 0.005 0.000 1.110 892 D HN 0.246 nan 8.370 nan 0.000 0.499 893 E N 1.796 122.027 120.200 0.051 0.000 2.086 893 E HA -0.313 4.040 4.350 0.004 0.000 0.200 893 E C 1.429 178.123 176.600 0.157 0.000 1.012 893 E CA 1.189 57.643 56.400 0.091 0.000 0.812 893 E CB 0.308 30.065 29.700 0.096 0.000 0.743 893 E HN 0.167 nan 8.360 nan 0.000 0.453 894 K N -0.014 120.487 120.400 0.169 0.000 2.057 894 K HA -0.114 4.209 4.320 0.004 0.000 0.207 894 K C 2.162 178.849 176.600 0.146 0.000 1.049 894 K CA 1.224 57.666 56.287 0.259 0.000 0.931 894 K CB -0.322 32.300 32.500 0.204 0.000 0.714 894 K HN 0.174 nan 8.250 nan 0.000 0.440 895 V N 1.216 121.164 119.914 0.056 0.000 3.078 895 V HA -0.144 3.979 4.120 0.004 0.000 0.265 895 V C 2.267 178.338 176.094 -0.037 0.000 1.122 895 V CA 1.553 63.842 62.300 -0.018 0.000 1.141 895 V CB -0.787 31.028 31.823 -0.014 0.000 0.735 895 V HN 0.242 nan 8.190 nan 0.000 0.498 896 A N 0.447 123.278 122.820 0.018 0.000 1.935 896 A HA -0.105 4.217 4.320 0.004 0.000 0.214 896 A C 2.051 179.654 177.584 0.033 0.000 1.178 896 A CA 1.026 53.067 52.037 0.006 0.000 0.640 896 A CB -0.484 18.526 19.000 0.016 0.000 0.825 896 A HN 0.833 nan 8.150 nan 0.000 0.447 897 W N 0.813 122.088 121.300 -0.041 0.000 2.658 897 W HA 0.059 4.721 4.660 0.005 0.000 0.263 897 W C 0.953 177.451 176.519 -0.036 0.000 1.274 897 W CA 0.901 58.208 57.345 -0.064 0.000 1.343 897 W CB -0.287 29.111 29.460 -0.103 0.000 1.106 897 W HN 0.444 nan 8.180 nan 0.000 0.615 898 E N 1.503 121.225 120.200 -0.797 0.000 2.110 898 E HA -0.215 4.138 4.350 0.004 0.000 0.193 898 E C 1.873 178.184 176.600 -0.481 0.000 0.988 898 E CA 1.946 57.811 56.400 -0.890 0.000 0.804 898 E CB -0.226 29.180 29.700 -0.489 0.000 0.745 898 E HN 0.331 nan 8.360 nan 0.000 0.458 899 L N -1.077 119.993 121.223 -0.255 0.000 2.667 899 L HA 0.323 4.665 4.340 0.004 0.000 0.232 899 L C 0.330 177.171 176.870 -0.048 0.000 1.138 899 L CA -0.267 54.502 54.840 -0.118 0.000 0.921 899 L CB -0.327 41.696 42.059 -0.060 0.000 1.180 899 L HN -0.053 nan 8.230 nan 0.000 0.487 900 I N -1.115 119.429 120.570 -0.044 0.000 2.603 900 I HA 0.670 4.843 4.170 0.004 0.000 0.300 900 I C -0.437 175.741 176.117 0.101 0.000 1.017 900 I CA -0.873 60.463 61.300 0.060 0.000 1.098 900 I CB 1.914 39.956 38.000 0.070 0.000 1.279 900 I HN 0.281 nan 8.210 nan 0.000 0.437 901 Q N 5.720 125.603 119.800 0.138 0.000 2.394 901 Q HA 0.515 4.858 4.340 0.004 0.000 0.259 901 Q C -0.662 175.431 176.000 0.155 0.000 1.021 901 Q CA -0.735 55.148 55.803 0.133 0.000 0.805 901 Q CB 1.518 30.310 28.738 0.089 0.000 1.226 901 Q HN 0.892 nan 8.270 nan 0.000 0.476 902 L N -0.627 120.689 121.223 0.155 0.000 2.783 902 L HA 0.373 4.715 4.340 0.004 0.000 0.236 902 L C -0.301 176.611 176.870 0.070 0.000 1.225 902 L CA -0.072 54.847 54.840 0.132 0.000 1.026 902 L CB 0.097 42.230 42.059 0.122 0.000 1.314 902 L HN 0.381 nan 8.230 nan 0.000 0.489 903 D N 0.348 120.784 120.400 0.060 0.000 2.369 903 D HA 0.194 4.837 4.640 0.004 0.000 0.211 903 D C 0.612 176.913 176.300 0.001 0.000 1.077 903 D CA 0.552 54.571 54.000 0.032 0.000 0.842 903 D CB 0.741 41.568 40.800 0.044 0.000 0.947 903 D HN 0.374 nan 8.370 nan 0.000 0.509 904 V N -3.949 115.954 119.914 -0.017 0.000 3.242 904 V HA 0.518 4.641 4.120 0.004 0.000 0.298 904 V C -3.211 172.797 176.094 -0.142 0.000 1.352 904 V CA -2.536 59.725 62.300 -0.066 0.000 1.052 904 V CB 1.894 33.690 31.823 -0.045 0.000 1.101 904 V HN -0.363 nan 8.190 nan 0.000 0.446 905 P HA 0.262 nan 4.420 nan 0.000 0.271 905 P C -1.037 176.020 177.300 -0.406 0.000 1.216 905 P CA 0.072 62.869 63.100 -0.505 0.000 0.776 905 P CB 0.264 31.391 31.700 -0.956 0.000 0.881 906 Q N 2.121 121.681 119.800 -0.399 0.000 2.324 906 Q HA 0.122 4.465 4.340 0.004 0.000 0.257 906 Q C 0.219 176.217 176.000 -0.004 0.000 1.080 906 Q CA 0.403 56.074 55.803 -0.220 0.000 0.907 906 Q CB 0.310 28.791 28.738 -0.429 0.000 1.274 906 Q HN 0.509 nan 8.270 nan 0.000 0.434 907 E N 1.962 122.208 120.200 0.077 0.000 2.280 907 E HA 0.063 4.416 4.350 0.004 0.000 0.261 907 E C 0.679 177.349 176.600 0.116 0.000 1.088 907 E CA -0.392 56.115 56.400 0.179 0.000 0.915 907 E CB 0.855 30.642 29.700 0.146 0.000 1.141 907 E HN 0.480 nan 8.360 nan 0.000 0.433 908 K N 1.695 122.158 120.400 0.105 0.000 2.280 908 K HA -0.124 4.198 4.320 0.004 0.000 0.202 908 K C 1.013 177.660 176.600 0.078 0.000 1.047 908 K CA 1.199 57.538 56.287 0.088 0.000 0.942 908 K CB -0.003 32.541 32.500 0.074 0.000 0.739 908 K HN 0.312 nan 8.250 nan 0.000 0.457 909 N N 1.036 119.777 118.700 0.068 0.000 2.251 909 N HA -0.042 4.701 4.740 0.004 0.000 0.181 909 N C 1.724 177.273 175.510 0.065 0.000 1.019 909 N CA 1.308 54.391 53.050 0.056 0.000 0.862 909 N CB -0.056 38.454 38.487 0.039 0.000 0.992 909 N HN 0.219 nan 8.380 nan 0.000 0.429 910 S N 1.623 117.364 115.700 0.068 0.000 2.370 910 S HA -0.096 4.377 4.470 0.004 0.000 0.226 910 S C 2.067 176.734 174.600 0.112 0.000 1.033 910 S CA 0.926 59.173 58.200 0.078 0.000 1.011 910 S CB -0.260 62.976 63.200 0.059 0.000 0.852 910 S HN 0.120 nan 8.310 nan 0.000 0.457 911 L N 1.416 122.709 121.223 0.116 0.000 2.072 911 L HA 0.070 4.413 4.340 0.004 0.000 0.205 911 L C 2.331 179.283 176.870 0.137 0.000 1.079 911 L CA 1.480 56.411 54.840 0.151 0.000 0.752 911 L CB -0.449 41.697 42.059 0.145 0.000 0.906 911 L HN 0.135 nan 8.230 nan 0.000 0.436 912 K N -0.489 119.978 120.400 0.113 0.000 2.059 912 K HA -0.255 4.067 4.320 0.004 0.000 0.212 912 K C 1.843 178.527 176.600 0.140 0.000 1.050 912 K CA 1.888 58.241 56.287 0.111 0.000 0.927 912 K CB -0.287 32.260 32.500 0.078 0.000 0.714 912 K HN 0.377 nan 8.250 nan 0.000 0.447 913 D N 0.786 121.259 120.400 0.121 0.000 2.144 913 D HA -0.136 4.507 4.640 0.004 0.000 0.200 913 D C 1.991 178.402 176.300 0.185 0.000 0.978 913 D CA 0.631 54.716 54.000 0.143 0.000 0.833 913 D CB 0.083 40.940 40.800 0.094 0.000 0.961 913 D HN 0.125 nan 8.370 nan 0.000 0.470 914 L N 0.568 121.884 121.223 0.156 0.000 2.046 914 L HA -0.183 4.160 4.340 0.004 0.000 0.208 914 L C 2.415 179.362 176.870 0.129 0.000 1.077 914 L CA 0.919 55.842 54.840 0.139 0.000 0.747 914 L CB -0.066 42.087 42.059 0.157 0.000 0.896 914 L HN -0.122 nan 8.230 nan 0.000 0.432 915 V N -0.841 119.159 119.914 0.143 0.000 2.233 915 V HA -0.370 3.753 4.120 0.004 0.000 0.247 915 V C 2.187 178.382 176.094 0.168 0.000 1.050 915 V CA 2.279 64.650 62.300 0.120 0.000 1.010 915 V CB -1.169 30.729 31.823 0.125 0.000 0.637 915 V HN 0.550 nan 8.190 nan 0.000 0.444 916 Y N 1.110 121.486 120.300 0.127 0.000 2.040 916 Y HA -0.388 4.165 4.550 0.004 0.000 0.275 916 Y C 2.828 178.818 175.900 0.150 0.000 1.171 916 Y CA 2.639 60.832 58.100 0.155 0.000 1.123 916 Y CB -0.553 37.954 38.460 0.078 0.000 0.963 916 Y HN 0.250 nan 8.280 nan 0.000 0.493 917 Q N 0.464 120.367 119.800 0.173 0.000 2.045 917 Q HA -0.220 4.122 4.340 0.004 0.000 0.206 917 Q C 2.401 178.396 176.000 -0.008 0.000 0.991 917 Q CA 2.409 58.252 55.803 0.067 0.000 0.851 917 Q CB -0.997 27.808 28.738 0.111 0.000 0.911 917 Q HN 0.586 nan 8.270 nan 0.000 0.418 918 A N -0.475 122.359 122.820 0.022 0.000 1.948 918 A HA -0.211 4.111 4.320 0.004 0.000 0.220 918 A C 2.147 179.741 177.584 0.017 0.000 1.177 918 A CA 1.555 53.591 52.037 -0.002 0.000 0.636 918 A CB -1.129 17.861 19.000 -0.016 0.000 0.815 918 A HN 0.598 nan 8.150 nan 0.000 0.449 919 F N -0.485 119.371 119.950 -0.156 0.000 2.075 919 F HA -0.198 4.331 4.527 0.004 0.000 0.297 919 F C 1.988 177.654 175.800 -0.223 0.000 1.113 919 F CA 1.181 59.068 58.000 -0.190 0.000 1.218 919 F CB 0.005 38.863 39.000 -0.237 0.000 0.984 919 F HN 0.187 nan 8.300 nan 0.000 0.472 920 L N 0.097 121.280 121.223 -0.067 0.000 2.056 920 L HA -0.148 4.194 4.340 0.004 0.000 0.207 920 L C 2.395 179.221 176.870 -0.073 0.000 1.078 920 L CA 1.509 56.248 54.840 -0.169 0.000 0.749 920 L CB -0.950 40.947 42.059 -0.271 0.000 0.901 920 L HN -0.032 nan 8.230 nan 0.000 0.433 921 R N -0.573 119.898 120.500 -0.048 0.000 2.057 921 R HA 0.010 4.353 4.340 0.004 0.000 0.229 921 R C 2.056 178.341 176.300 -0.026 0.000 1.136 921 R CA 1.387 57.466 56.100 -0.034 0.000 0.952 921 R CB -0.273 30.007 30.300 -0.033 0.000 0.848 921 R HN 0.309 nan 8.270 nan 0.000 0.430 922 L N -1.668 119.544 121.223 -0.019 0.000 2.470 922 L HA 0.313 4.655 4.340 0.004 0.000 0.219 922 L C 0.797 177.654 176.870 -0.021 0.000 1.071 922 L CA 0.288 55.114 54.840 -0.024 0.000 0.850 922 L CB 0.542 42.581 42.059 -0.033 0.000 1.040 922 L HN 0.304 nan 8.230 nan 0.000 0.475 923 G N -0.669 108.132 108.800 0.002 0.000 2.375 923 G HA2 -0.094 3.869 3.960 0.004 0.000 0.663 923 G HA3 -0.094 3.869 3.960 0.004 0.000 0.663 923 G C -0.174 174.709 174.900 -0.027 0.000 1.391 923 G CA -0.077 45.027 45.100 0.007 0.000 0.949 923 G HN -0.087 nan 8.290 nan 0.000 0.646 924 M N 0.588 120.183 119.600 -0.008 0.000 2.200 924 M HA -0.080 4.403 4.480 0.004 0.000 0.261 924 M C 2.654 178.798 176.300 -0.261 0.000 1.074 924 M CA 2.909 58.090 55.300 -0.198 0.000 1.098 924 M CB -0.516 32.058 32.600 -0.044 0.000 1.268 924 M HN 0.874 nan 8.290 nan 0.000 0.432 925 E N 0.275 120.380 120.200 -0.158 0.000 2.097 925 E HA -0.263 4.090 4.350 0.004 0.000 0.196 925 E C 1.733 178.266 176.600 -0.112 0.000 1.000 925 E CA 1.643 57.979 56.400 -0.108 0.000 0.804 925 E CB -0.654 29.008 29.700 -0.064 0.000 0.740 925 E HN 0.597 nan 8.360 nan 0.000 0.454 926 K N 0.392 120.728 120.400 -0.106 0.000 2.103 926 K HA -0.092 4.230 4.320 0.004 0.000 0.207 926 K C 2.311 178.845 176.600 -0.111 0.000 1.048 926 K CA 1.795 58.028 56.287 -0.090 0.000 0.930 926 K CB -0.323 32.135 32.500 -0.070 0.000 0.716 926 K HN 0.221 nan 8.250 nan 0.000 0.444 927 T N 1.423 115.875 114.554 -0.170 0.000 2.777 927 T HA -0.109 4.244 4.350 0.004 0.000 0.266 927 T C 2.090 176.681 174.700 -0.181 0.000 1.040 927 T CA 1.264 63.242 62.100 -0.203 0.000 1.141 927 T CB -0.248 68.397 68.868 -0.371 0.000 0.868 927 T HN 0.328 nan 8.240 nan 0.000 0.444 928 A N 2.245 124.949 122.820 -0.193 0.000 1.917 928 A HA -0.202 4.121 4.320 0.004 0.000 0.219 928 A C 2.413 179.948 177.584 -0.081 0.000 1.182 928 A CA 1.407 53.362 52.037 -0.136 0.000 0.633 928 A CB -0.500 18.439 19.000 -0.101 0.000 0.819 928 A HN 0.347 nan 8.150 nan 0.000 0.448 929 R N -1.124 119.335 120.500 -0.069 0.000 2.080 929 R HA -0.160 4.183 4.340 0.004 0.000 0.236 929 R C 2.201 178.490 176.300 -0.019 0.000 1.137 929 R CA 1.574 57.652 56.100 -0.037 0.000 0.943 929 R CB -1.010 29.265 30.300 -0.042 0.000 0.846 929 R HN 0.566 nan 8.270 nan 0.000 0.431 930 L N 1.651 122.852 121.223 -0.036 0.000 2.043 930 L HA -0.190 4.152 4.340 0.004 0.000 0.212 930 L C 2.141 179.017 176.870 0.010 0.000 1.075 930 L CA 1.677 56.504 54.840 -0.021 0.000 0.752 930 L CB -0.529 41.504 42.059 -0.043 0.000 0.891 930 L HN 0.117 nan 8.230 nan 0.000 0.432 931 L N -0.695 120.520 121.223 -0.014 0.000 1.989 931 L HA -0.238 4.104 4.340 0.004 0.000 0.211 931 L C 2.312 179.209 176.870 0.045 0.000 1.071 931 L CA 1.692 56.534 54.840 0.004 0.000 0.749 931 L CB -1.029 41.002 42.059 -0.047 0.000 0.890 931 L HN 0.260 nan 8.230 nan 0.000 0.431 932 D N 0.046 120.477 120.400 0.051 0.000 2.144 932 D HA -0.129 4.513 4.640 0.004 0.000 0.199 932 D C 2.226 178.617 176.300 0.153 0.000 0.984 932 D CA 1.356 55.434 54.000 0.129 0.000 0.834 932 D CB -0.058 40.823 40.800 0.135 0.000 0.955 932 D HN 0.305 nan 8.370 nan 0.000 0.465 933 A N 0.241 123.142 122.820 0.135 0.000 1.883 933 A HA -0.161 4.162 4.320 0.004 0.000 0.217 933 A C 2.278 180.052 177.584 0.317 0.000 1.186 933 A CA 1.091 53.261 52.037 0.222 0.000 0.624 933 A CB -0.879 18.206 19.000 0.142 0.000 0.822 933 A HN 0.231 nan 8.150 nan 0.000 0.444 934 L N -0.341 121.002 121.223 0.201 0.000 2.012 934 L HA -0.230 4.113 4.340 0.004 0.000 0.210 934 L C 2.709 179.656 176.870 0.129 0.000 1.073 934 L CA 1.949 56.916 54.840 0.212 0.000 0.748 934 L CB -0.450 41.718 42.059 0.180 0.000 0.891 934 L HN 0.438 nan 8.230 nan 0.000 0.431 935 K N -0.312 120.102 120.400 0.024 0.000 2.044 935 K HA -0.287 4.035 4.320 0.004 0.000 0.210 935 K C 2.268 178.677 176.600 -0.318 0.000 1.049 935 K CA 2.061 58.203 56.287 -0.241 0.000 0.927 935 K CB -0.417 32.012 32.500 -0.118 0.000 0.713 935 K HN 0.212 nan 8.250 nan 0.000 0.443 936 Y N 0.304 120.514 120.300 -0.150 0.000 2.109 936 Y HA -0.238 4.315 4.550 0.004 0.000 0.285 936 Y C 2.183 177.975 175.900 -0.179 0.000 1.131 936 Y CA 1.996 60.000 58.100 -0.160 0.000 1.121 936 Y CB -0.660 37.675 38.460 -0.209 0.000 0.987 936 Y HN 0.077 nan 8.280 nan 0.000 0.495 937 Y N -0.581 119.796 120.300 0.127 0.000 2.181 937 Y HA -0.117 4.435 4.550 0.004 0.000 0.288 937 Y C 2.699 178.484 175.900 -0.192 0.000 1.146 937 Y CA 1.370 59.378 58.100 -0.154 0.000 1.164 937 Y CB -1.052 37.234 38.460 -0.291 0.000 0.982 937 Y HN 0.188 nan 8.280 nan 0.000 0.515 938 G N -0.894 107.985 108.800 0.132 0.000 2.450 938 G HA2 -0.237 3.726 3.960 0.004 0.000 0.220 938 G HA3 -0.237 3.726 3.960 0.004 0.000 0.220 938 G C 1.658 176.736 174.900 0.296 0.000 1.130 938 G CA 0.642 45.864 45.100 0.203 0.000 0.760 938 G HN 0.429 nan 8.290 nan 0.000 0.557 939 F N 0.761 120.706 119.950 -0.008 0.000 2.163 939 F HA -0.073 4.457 4.527 0.004 0.000 0.297 939 F C 3.110 178.857 175.800 -0.089 0.000 1.094 939 F CA 1.036 58.991 58.000 -0.074 0.000 1.290 939 F CB -0.017 38.872 39.000 -0.186 0.000 1.017 939 F HN 0.096 nan 8.300 nan 0.000 0.483 940 T N 0.454 115.050 114.554 0.070 0.000 2.668 940 T HA -0.184 4.168 4.350 0.004 0.000 0.262 940 T C 1.746 176.569 174.700 0.206 0.000 1.045 940 T CA 1.243 63.361 62.100 0.030 0.000 1.152 940 T CB -0.863 67.973 68.868 -0.053 0.000 0.864 940 T HN 0.173 nan 8.240 nan 0.000 0.419 941 F N 1.248 121.284 119.950 0.143 0.000 2.154 941 F HA -0.209 4.321 4.527 0.005 0.000 0.301 941 F C 3.067 178.884 175.800 0.028 0.000 1.087 941 F CA 0.752 58.835 58.000 0.139 0.000 1.274 941 F CB -0.286 38.850 39.000 0.227 0.000 1.009 941 F HN 0.205 nan 8.300 nan 0.000 0.485 942 S N -0.011 115.838 115.700 0.250 0.000 2.359 942 S HA -0.242 4.231 4.470 0.004 0.000 0.224 942 S C 2.211 176.785 174.600 -0.043 0.000 1.035 942 S CA 2.169 60.409 58.200 0.067 0.000 1.018 942 S CB -0.707 62.553 63.200 0.101 0.000 0.876 942 S HN 0.577 nan 8.310 nan 0.000 0.448 943 T N -0.574 113.973 114.554 -0.012 0.000 2.652 943 T HA -0.123 4.229 4.350 0.004 0.000 0.267 943 T C 1.891 176.552 174.700 -0.066 0.000 1.039 943 T CA 2.215 64.283 62.100 -0.053 0.000 1.153 943 T CB -1.555 67.286 68.868 -0.046 0.000 0.863 943 T HN 0.455 nan 8.240 nan 0.000 0.428 944 T N 2.488 117.029 114.554 -0.021 0.000 2.788 944 T HA -0.110 4.243 4.350 0.004 0.000 0.268 944 T C 2.459 177.067 174.700 -0.154 0.000 1.044 944 T CA 1.788 63.871 62.100 -0.029 0.000 1.139 944 T CB -0.870 68.042 68.868 0.073 0.000 0.867 944 T HN 0.749 nan 8.240 nan 0.000 0.454 945 S N 1.470 116.953 115.700 -0.361 0.000 2.423 945 S HA -0.017 4.456 4.470 0.004 0.000 0.238 945 S C 1.947 176.205 174.600 -0.571 0.000 1.028 945 S CA 1.237 58.837 58.200 -0.999 0.000 1.000 945 S CB -1.268 60.993 63.200 -1.566 0.000 0.797 945 S HN 0.991 nan 8.310 nan 0.000 0.487 946 G N 1.129 109.744 108.800 -0.310 0.000 2.273 946 G HA2 -0.251 3.712 3.960 0.004 0.000 0.280 946 G HA3 -0.251 3.712 3.960 0.004 0.000 0.280 946 G C -0.093 174.704 174.900 -0.172 0.000 1.047 946 G CA 0.218 45.208 45.100 -0.184 0.000 0.869 946 G HN 1.327 nan 8.290 nan 0.000 0.502 947 I N -0.104 120.345 120.570 -0.203 0.000 2.416 947 I HA 0.784 4.957 4.170 0.004 0.000 0.288 947 I C 0.409 176.478 176.117 -0.080 0.000 1.051 947 I CA -0.083 61.141 61.300 -0.126 0.000 1.375 947 I CB 1.301 39.230 38.000 -0.119 0.000 1.407 947 I HN 0.430 nan 8.210 nan 0.000 0.516 948 T N 4.308 118.829 114.554 -0.054 0.000 2.868 948 T HA 0.662 5.014 4.350 0.004 0.000 0.306 948 T C -0.378 174.305 174.700 -0.028 0.000 1.224 948 T CA -0.965 61.110 62.100 -0.042 0.000 1.012 948 T CB 1.403 70.245 68.868 -0.043 0.000 1.221 948 T HN 0.506 nan 8.240 nan 0.000 0.499 949 I N 1.431 121.988 120.570 -0.022 0.000 2.428 949 I HA 0.641 4.813 4.170 0.004 0.000 0.289 949 I C 0.867 176.976 176.117 -0.013 0.000 1.019 949 I CA -0.367 60.926 61.300 -0.012 0.000 1.351 949 I CB 0.385 38.383 38.000 -0.003 0.000 1.412 949 I HN 1.049 nan 8.210 nan 0.000 0.513 950 G N 4.930 113.723 108.800 -0.011 0.000 2.638 950 G HA2 0.440 4.403 3.960 0.004 0.000 0.302 950 G HA3 0.440 4.403 3.960 0.004 0.000 0.302 950 G C 0.625 175.525 174.900 -0.000 0.000 1.365 950 G CA -0.437 44.657 45.100 -0.011 0.000 0.987 950 G HN 0.526 nan 8.290 nan 0.000 0.495 951 I N 0.767 121.339 120.570 0.004 0.000 2.264 951 I HA -0.115 4.058 4.170 0.004 0.000 0.248 951 I C 1.677 177.806 176.117 0.019 0.000 1.111 951 I CA 1.630 62.940 61.300 0.016 0.000 1.382 951 I CB -0.222 37.786 38.000 0.013 0.000 1.060 951 I HN 0.513 nan 8.210 nan 0.000 0.418 952 D N 0.796 121.199 120.400 0.005 0.000 2.224 952 D HA -0.148 4.494 4.640 0.004 0.000 0.205 952 D C 1.712 178.009 176.300 -0.005 0.000 0.965 952 D CA 0.757 54.758 54.000 0.001 0.000 0.852 952 D CB 0.009 40.800 40.800 -0.016 0.000 0.947 952 D HN 0.349 nan 8.370 nan 0.000 0.494 953 D N 0.538 120.927 120.400 -0.017 0.000 2.123 953 D HA -0.090 4.552 4.640 0.004 0.000 0.196 953 D C 0.698 177.004 176.300 0.009 0.000 0.992 953 D CA 0.684 54.661 54.000 -0.038 0.000 0.833 953 D CB -0.494 40.282 40.800 -0.041 0.000 0.954 953 D HN 0.120 nan 8.370 nan 0.000 0.455 954 A N 1.359 124.215 122.820 0.060 0.000 2.496 954 A HA 0.257 4.579 4.320 0.004 0.000 0.278 954 A C 0.106 177.806 177.584 0.194 0.000 1.137 954 A CA -0.099 52.025 52.037 0.144 0.000 0.805 954 A CB -0.033 19.042 19.000 0.126 0.000 1.077 954 A HN -0.021 nan 8.150 nan 0.000 0.513 955 V N 5.490 125.631 119.914 0.379 0.000 2.370 955 V HA 0.263 4.386 4.120 0.004 0.000 0.279 955 V C 0.410 176.620 176.094 0.194 0.000 1.029 955 V CA -0.365 62.148 62.300 0.353 0.000 0.870 955 V CB 0.801 32.998 31.823 0.623 0.000 0.984 955 V HN 0.707 nan 8.190 nan 0.000 0.451 956 I N 6.707 127.325 120.570 0.080 0.000 2.575 956 I HA 0.289 4.462 4.170 0.004 0.000 0.285 956 I C -2.078 173.995 176.117 -0.072 0.000 1.085 956 I CA -1.523 59.761 61.300 -0.027 0.000 1.403 956 I CB 1.300 39.287 38.000 -0.022 0.000 1.409 956 I HN 0.426 nan 8.210 nan 0.000 0.557 957 P HA 0.153 nan 4.420 nan 0.000 0.282 957 P C -0.033 177.184 177.300 -0.138 0.000 1.249 957 P CA -0.355 62.626 63.100 -0.199 0.000 0.806 957 P CB 0.934 32.446 31.700 -0.314 0.000 0.984 958 E N 1.387 121.522 120.200 -0.109 0.000 2.358 958 E HA -0.135 4.218 4.350 0.004 0.000 0.195 958 E C 1.293 177.854 176.600 -0.064 0.000 1.010 958 E CA 0.807 57.169 56.400 -0.064 0.000 0.856 958 E CB -0.116 29.562 29.700 -0.037 0.000 0.795 958 E HN 0.404 nan 8.360 nan 0.000 0.504 959 E N 0.264 120.386 120.200 -0.130 0.000 2.358 959 E HA -0.151 4.202 4.350 0.004 0.000 0.195 959 E C 1.718 178.226 176.600 -0.153 0.000 1.010 959 E CA 0.415 56.738 56.400 -0.128 0.000 0.856 959 E CB -0.336 29.157 29.700 -0.345 0.000 0.795 959 E HN 0.228 nan 8.360 nan 0.000 0.504 960 K N 2.006 122.289 120.400 -0.195 0.000 2.074 960 K HA -0.224 4.099 4.320 0.004 0.000 0.209 960 K C 2.115 178.707 176.600 -0.013 0.000 1.048 960 K CA 1.728 57.933 56.287 -0.137 0.000 0.926 960 K CB -0.058 32.369 32.500 -0.122 0.000 0.713 960 K HN 0.009 nan 8.250 nan 0.000 0.444 961 K N -0.038 120.363 120.400 0.002 0.000 2.097 961 K HA -0.172 4.151 4.320 0.004 0.000 0.205 961 K C 2.283 178.919 176.600 0.061 0.000 1.050 961 K CA 1.574 57.878 56.287 0.028 0.000 0.938 961 K CB 0.086 32.595 32.500 0.015 0.000 0.718 961 K HN 0.146 nan 8.250 nan 0.000 0.442 962 Q N -0.441 119.426 119.800 0.111 0.000 1.941 962 Q HA -0.141 4.202 4.340 0.004 0.000 0.201 962 Q C 1.882 177.967 176.000 0.141 0.000 0.982 962 Q CA 1.846 57.730 55.803 0.135 0.000 0.839 962 Q CB -0.635 28.228 28.738 0.208 0.000 0.904 962 Q HN 0.302 nan 8.270 nan 0.000 0.427 963 Y N 0.415 120.673 120.300 -0.071 0.000 2.181 963 Y HA -0.225 4.328 4.550 0.004 0.000 0.284 963 Y C 2.117 177.950 175.900 -0.113 0.000 1.179 963 Y CA 0.860 58.905 58.100 -0.091 0.000 1.179 963 Y CB -0.680 37.729 38.460 -0.086 0.000 0.973 963 Y HN 0.116 nan 8.280 nan 0.000 0.519 964 L N -0.418 120.867 121.223 0.104 0.000 2.005 964 L HA -0.219 4.124 4.340 0.004 0.000 0.207 964 L C 2.520 179.372 176.870 -0.031 0.000 1.072 964 L CA 1.790 56.645 54.840 0.025 0.000 0.744 964 L CB -0.237 41.866 42.059 0.074 0.000 0.895 964 L HN 0.159 nan 8.230 nan 0.000 0.433 965 E N 0.422 120.620 120.200 -0.004 0.000 2.077 965 E HA -0.268 4.085 4.350 0.004 0.000 0.193 965 E C 1.906 178.466 176.600 -0.067 0.000 0.989 965 E CA 1.659 58.046 56.400 -0.022 0.000 0.800 965 E CB 0.012 29.709 29.700 -0.006 0.000 0.746 965 E HN 0.448 nan 8.360 nan 0.000 0.452 966 E N -0.325 119.819 120.200 -0.093 0.000 2.077 966 E HA -0.169 4.184 4.350 0.004 0.000 0.193 966 E C 1.944 178.442 176.600 -0.171 0.000 0.989 966 E CA 1.212 57.529 56.400 -0.138 0.000 0.800 966 E CB -0.205 29.376 29.700 -0.198 0.000 0.746 966 E HN 0.396 nan 8.360 nan 0.000 0.452 967 A N 1.119 123.806 122.820 -0.221 0.000 2.016 967 A HA -0.152 4.171 4.320 0.004 0.000 0.217 967 A C 1.575 178.962 177.584 -0.329 0.000 1.162 967 A CA 1.129 52.959 52.037 -0.345 0.000 0.662 967 A CB -0.111 18.573 19.000 -0.526 0.000 0.812 967 A HN 0.078 nan 8.150 nan 0.000 0.450 968 D N 0.534 120.810 120.400 -0.206 0.000 2.078 968 D HA -0.201 4.442 4.640 0.004 0.000 0.193 968 D C 2.279 178.547 176.300 -0.053 0.000 0.990 968 D CA 1.863 55.814 54.000 -0.082 0.000 0.827 968 D CB -0.434 40.361 40.800 -0.008 0.000 0.975 968 D HN 0.701 nan 8.370 nan 0.000 0.451 969 R N 1.349 121.813 120.500 -0.060 0.000 2.091 969 R HA -0.135 4.207 4.340 0.004 0.000 0.238 969 R C 2.141 178.409 176.300 -0.054 0.000 1.136 969 R CA 1.614 57.687 56.100 -0.045 0.000 0.959 969 R CB -0.506 29.764 30.300 -0.049 0.000 0.856 969 R HN 0.090 nan 8.270 nan 0.000 0.437 970 K N 0.899 121.247 120.400 -0.088 0.000 2.152 970 K HA -0.136 4.187 4.320 0.004 0.000 0.206 970 K C 1.970 178.535 176.600 -0.059 0.000 1.048 970 K CA 1.041 57.276 56.287 -0.086 0.000 0.933 970 K CB -0.131 32.293 32.500 -0.127 0.000 0.721 970 K HN 0.207 nan 8.250 nan 0.000 0.447 971 L N 1.477 122.666 121.223 -0.057 0.000 2.141 971 L HA -0.045 4.298 4.340 0.004 0.000 0.209 971 L C 1.886 178.782 176.870 0.042 0.000 1.094 971 L CA 1.442 56.291 54.840 0.014 0.000 0.763 971 L CB -0.655 41.449 42.059 0.076 0.000 0.908 971 L HN 0.460 nan 8.230 nan 0.000 0.437 972 L N -1.053 120.183 121.223 0.023 0.000 2.046 972 L HA -0.255 4.088 4.340 0.004 0.000 0.208 972 L C 2.347 179.227 176.870 0.018 0.000 1.077 972 L CA 1.480 56.335 54.840 0.026 0.000 0.747 972 L CB -0.346 41.719 42.059 0.010 0.000 0.896 972 L HN 0.319 nan 8.230 nan 0.000 0.432 973 Q N 0.364 120.164 119.800 -0.001 0.000 2.124 973 Q HA -0.167 4.176 4.340 0.004 0.000 0.202 973 Q C 2.209 178.216 176.000 0.012 0.000 0.977 973 Q CA 2.313 58.110 55.803 -0.010 0.000 0.850 973 Q CB -0.286 28.437 28.738 -0.025 0.000 0.901 973 Q HN 0.636 nan 8.270 nan 0.000 0.429 974 I N 0.607 121.197 120.570 0.033 0.000 2.286 974 I HA -0.250 3.923 4.170 0.004 0.000 0.248 974 I C 2.172 178.357 176.117 0.113 0.000 1.115 974 I CA 1.094 62.435 61.300 0.068 0.000 1.392 974 I CB -0.329 37.714 38.000 0.072 0.000 1.065 974 I HN 0.251 nan 8.210 nan 0.000 0.418 975 E N 0.666 120.931 120.200 0.108 0.000 2.047 975 E HA -0.236 4.116 4.350 0.004 0.000 0.191 975 E C 2.220 178.888 176.600 0.113 0.000 0.987 975 E CA 1.135 57.625 56.400 0.149 0.000 0.799 975 E CB -0.120 29.649 29.700 0.115 0.000 0.752 975 E HN 0.582 nan 8.360 nan 0.000 0.449 976 Q N -0.045 119.782 119.800 0.044 0.000 2.170 976 Q HA -0.105 4.238 4.340 0.004 0.000 0.203 976 Q C 2.039 178.021 176.000 -0.030 0.000 0.976 976 Q CA 1.119 56.916 55.803 -0.009 0.000 0.858 976 Q CB -0.060 28.655 28.738 -0.037 0.000 0.907 976 Q HN 0.175 nan 8.270 nan 0.000 0.433 977 A N -0.186 122.638 122.820 0.006 0.000 2.066 977 A HA -0.167 4.155 4.320 0.004 0.000 0.218 977 A C 1.711 179.380 177.584 0.141 0.000 1.157 977 A CA 0.942 52.983 52.037 0.005 0.000 0.670 977 A CB -0.356 18.668 19.000 0.041 0.000 0.804 977 A HN 0.514 nan 8.150 nan 0.000 0.453 978 Y N 0.449 120.776 120.300 0.045 0.000 2.389 978 Y HA 0.117 4.670 4.550 0.004 0.000 0.292 978 Y C 1.827 177.762 175.900 0.059 0.000 1.117 978 Y CA 1.149 59.292 58.100 0.071 0.000 1.195 978 Y CB -0.157 38.341 38.460 0.064 0.000 1.076 978 Y HN 0.379 nan 8.280 nan 0.000 0.548 979 E N -0.197 119.860 120.200 -0.237 0.000 2.396 979 E HA -0.156 4.196 4.350 0.004 0.000 0.200 979 E C 1.607 178.076 176.600 -0.218 0.000 1.023 979 E CA 0.870 57.077 56.400 -0.323 0.000 0.857 979 E CB -0.025 29.594 29.700 -0.136 0.000 0.775 979 E HN 0.510 nan 8.360 nan 0.000 0.525 980 M N -1.585 117.942 119.600 -0.122 0.000 2.534 980 M HA 0.110 4.593 4.480 0.004 0.000 0.263 980 M C 1.473 177.811 176.300 0.064 0.000 1.152 980 M CA 0.925 56.206 55.300 -0.032 0.000 1.145 980 M CB 0.828 33.396 32.600 -0.054 0.000 1.333 980 M HN 0.252 nan 8.290 nan 0.000 0.477 981 G N -0.663 108.191 108.800 0.090 0.000 2.175 981 G HA2 -0.219 3.743 3.960 0.004 0.000 0.182 981 G HA3 -0.219 3.743 3.960 0.004 0.000 0.182 981 G C 0.540 175.592 174.900 0.254 0.000 1.003 981 G CA -0.238 44.945 45.100 0.137 0.000 0.666 981 G HN 0.267 nan 8.290 nan 0.000 0.506 982 F N 0.908 120.891 119.950 0.055 0.000 2.128 982 F HA 0.327 4.856 4.527 0.004 0.000 0.295 982 F C 1.810 177.664 175.800 0.089 0.000 1.100 982 F CA 1.205 59.242 58.000 0.061 0.000 1.260 982 F CB -0.104 38.926 39.000 0.049 0.000 1.009 982 F HN 0.210 nan 8.300 nan 0.000 0.476 983 L N -0.139 121.284 121.223 0.333 0.000 2.264 983 L HA 0.398 4.740 4.340 0.004 0.000 0.289 983 L C 0.352 177.353 176.870 0.220 0.000 1.044 983 L CA -0.624 54.357 54.840 0.234 0.000 0.807 983 L CB 0.559 42.750 42.059 0.220 0.000 1.192 983 L HN -0.243 nan 8.230 nan 0.000 0.425 984 T N 1.205 115.835 114.554 0.126 0.000 2.903 984 T HA -0.034 4.319 4.350 0.004 0.000 0.314 984 T C 0.867 175.588 174.700 0.035 0.000 1.078 984 T CA -0.145 62.013 62.100 0.097 0.000 1.114 984 T CB 0.664 69.566 68.868 0.057 0.000 0.987 984 T HN 0.669 nan 8.240 nan 0.000 0.548 985 D N 1.170 121.573 120.400 0.005 0.000 2.191 985 D HA -0.154 4.489 4.640 0.004 0.000 0.195 985 D C 2.122 178.383 176.300 -0.066 0.000 1.003 985 D CA 1.295 55.225 54.000 -0.116 0.000 0.867 985 D CB -0.028 40.744 40.800 -0.046 0.000 0.926 985 D HN 0.296 nan 8.370 nan 0.000 0.450 986 R N 0.919 121.426 120.500 0.011 0.000 2.056 986 R HA -0.037 4.305 4.340 0.004 0.000 0.227 986 R C 1.963 178.295 176.300 0.054 0.000 1.149 986 R CA 1.457 57.592 56.100 0.059 0.000 0.937 986 R CB -0.510 29.816 30.300 0.044 0.000 0.835 986 R HN 0.202 nan 8.270 nan 0.000 0.430 987 E N 0.335 120.555 120.200 0.034 0.000 2.136 987 E HA -0.328 4.024 4.350 0.004 0.000 0.202 987 E C 1.999 178.627 176.600 0.046 0.000 1.019 987 E CA 1.507 57.930 56.400 0.037 0.000 0.819 987 E CB -0.318 29.413 29.700 0.052 0.000 0.739 987 E HN 0.189 nan 8.360 nan 0.000 0.458 988 R N 0.686 121.203 120.500 0.028 0.000 2.082 988 R HA -0.211 4.132 4.340 0.004 0.000 0.234 988 R C 2.284 178.645 176.300 0.102 0.000 1.136 988 R CA 1.772 57.886 56.100 0.022 0.000 0.935 988 R CB -0.836 29.373 30.300 -0.152 0.000 0.842 988 R HN 0.290 nan 8.270 nan 0.000 0.430 989 Y N 3.092 123.358 120.300 -0.058 0.000 2.097 989 Y HA -0.209 4.344 4.550 0.004 0.000 0.282 989 Y C 1.913 177.820 175.900 0.011 0.000 1.152 989 Y CA 2.097 60.182 58.100 -0.024 0.000 1.136 989 Y CB -0.766 37.666 38.460 -0.047 0.000 0.975 989 Y HN 0.319 nan 8.280 nan 0.000 0.498 990 D N -0.544 119.802 120.400 -0.091 0.000 2.263 990 D HA -0.197 4.445 4.640 0.004 0.000 0.208 990 D C 1.874 178.147 176.300 -0.046 0.000 0.971 990 D CA 1.096 54.998 54.000 -0.163 0.000 0.867 990 D CB -0.492 40.239 40.800 -0.116 0.000 0.929 990 D HN 0.514 nan 8.370 nan 0.000 0.492 991 Q N 0.023 119.833 119.800 0.017 0.000 2.137 991 Q HA 0.047 4.390 4.340 0.004 0.000 0.198 991 Q C 2.553 178.595 176.000 0.069 0.000 0.960 991 Q CA 0.398 56.223 55.803 0.037 0.000 0.847 991 Q CB 0.200 28.967 28.738 0.048 0.000 0.915 991 Q HN 0.342 nan 8.270 nan 0.000 0.448 992 I N 0.496 121.143 120.570 0.128 0.000 2.252 992 I HA -0.281 3.892 4.170 0.004 0.000 0.245 992 I C 1.999 178.301 176.117 0.309 0.000 1.102 992 I CA 0.958 62.394 61.300 0.226 0.000 1.385 992 I CB -0.270 37.915 38.000 0.309 0.000 1.064 992 I HN 0.179 nan 8.210 nan 0.000 0.414 993 L N 0.154 121.498 121.223 0.201 0.000 2.012 993 L HA -0.257 4.086 4.340 0.004 0.000 0.210 993 L C 2.694 179.654 176.870 0.150 0.000 1.073 993 L CA 1.400 56.339 54.840 0.165 0.000 0.748 993 L CB -0.695 41.341 42.059 -0.037 0.000 0.891 993 L HN 0.210 nan 8.230 nan 0.000 0.431 994 Q N 0.162 120.005 119.800 0.070 0.000 2.096 994 Q HA -0.236 4.107 4.340 0.004 0.000 0.204 994 Q C 2.081 178.104 176.000 0.038 0.000 0.982 994 Q CA 1.823 57.650 55.803 0.041 0.000 0.850 994 Q CB -0.494 28.251 28.738 0.011 0.000 0.901 994 Q HN 0.421 nan 8.270 nan 0.000 0.422 995 L N -0.935 120.297 121.223 0.016 0.000 1.990 995 L HA -0.173 4.169 4.340 0.004 0.000 0.213 995 L C 1.773 178.546 176.870 -0.162 0.000 1.072 995 L CA 2.093 56.861 54.840 -0.120 0.000 0.755 995 L CB -0.699 41.223 42.059 -0.227 0.000 0.889 995 L HN 0.357 nan 8.230 nan 0.000 0.432 996 W N -0.289 121.022 121.300 0.018 0.000 2.407 996 W HA -0.080 4.582 4.660 0.004 0.000 0.305 996 W C 2.600 179.128 176.519 0.015 0.000 1.196 996 W CA 1.545 58.902 57.345 0.020 0.000 1.311 996 W CB -1.131 28.347 29.460 0.029 0.000 1.135 996 W HN 0.021 nan 8.180 nan 0.000 0.514 997 T N 0.497 115.193 114.554 0.236 0.000 2.721 997 T HA -0.249 4.103 4.350 0.004 0.000 0.268 997 T C 1.319 176.071 174.700 0.086 0.000 1.038 997 T CA 1.977 64.156 62.100 0.133 0.000 1.145 997 T CB -0.264 68.657 68.868 0.088 0.000 0.858 997 T HN 0.306 nan 8.240 nan 0.000 0.459 998 E N 0.020 120.255 120.200 0.057 0.000 2.060 998 E HA -0.033 4.319 4.350 0.004 0.000 0.189 998 E C 2.547 179.169 176.600 0.036 0.000 0.974 998 E CA 0.898 57.316 56.400 0.030 0.000 0.808 998 E CB -0.263 29.435 29.700 -0.004 0.000 0.768 998 E HN 0.240 nan 8.360 nan 0.000 0.453 999 T N 0.293 114.854 114.554 0.012 0.000 2.699 999 T HA -0.216 4.137 4.350 0.004 0.000 0.268 999 T C 2.108 176.858 174.700 0.082 0.000 1.036 999 T CA 1.975 64.084 62.100 0.016 0.000 1.147 999 T CB -0.394 68.388 68.868 -0.143 0.000 0.862 999 T HN 0.216 nan 8.240 nan 0.000 0.446 1000 T N 0.700 115.323 114.554 0.116 0.000 2.746 1000 T HA -0.122 4.231 4.350 0.004 0.000 0.267 1000 T C 1.905 176.627 174.700 0.036 0.000 1.039 1000 T CA 1.676 63.832 62.100 0.093 0.000 1.142 1000 T CB -0.368 68.569 68.868 0.114 0.000 0.866 1000 T HN 0.344 nan 8.240 nan 0.000 0.444 1001 E N 0.760 120.989 120.200 0.049 0.000 2.153 1001 E HA -0.116 4.237 4.350 0.004 0.000 0.194 1001 E C 2.138 178.754 176.600 0.027 0.000 0.988 1001 E CA 1.057 57.480 56.400 0.039 0.000 0.811 1001 E CB -0.107 29.623 29.700 0.051 0.000 0.746 1001 E HN 0.578 nan 8.360 nan 0.000 0.466 1002 K N -0.007 120.425 120.400 0.053 0.000 2.002 1002 K HA -0.086 4.236 4.320 0.004 0.000 0.209 1002 K C 2.272 178.831 176.600 -0.069 0.000 1.048 1002 K CA 1.423 57.765 56.287 0.091 0.000 0.930 1002 K CB -0.142 32.531 32.500 0.288 0.000 0.714 1002 K HN -0.011 nan 8.250 nan 0.000 0.438 1003 V N 1.668 121.507 119.914 -0.125 0.000 2.392 1003 V HA -0.284 3.838 4.120 0.004 0.000 0.249 1003 V C 2.142 178.050 176.094 -0.311 0.000 1.059 1003 V CA 2.077 64.207 62.300 -0.284 0.000 1.051 1003 V CB -0.826 30.878 31.823 -0.198 0.000 0.658 1003 V HN 0.436 nan 8.190 nan 0.000 0.455 1004 T N 0.365 114.785 114.554 -0.224 0.000 2.516 1004 T HA -0.333 4.019 4.350 0.004 0.000 0.261 1004 T C 1.866 176.365 174.700 -0.335 0.000 1.130 1004 T CA 2.228 64.153 62.100 -0.291 0.000 1.193 1004 T CB -0.473 68.353 68.868 -0.069 0.000 0.864 1004 T HN 0.640 nan 8.240 nan 0.000 0.410 1005 Q N 1.000 120.763 119.800 -0.062 0.000 2.248 1005 Q HA -0.074 4.268 4.340 0.004 0.000 0.208 1005 Q C 2.571 178.518 176.000 -0.088 0.000 0.984 1005 Q CA 1.269 57.108 55.803 0.061 0.000 0.875 1005 Q CB -0.445 28.337 28.738 0.073 0.000 0.910 1005 Q HN 0.570 nan 8.270 nan 0.000 0.433 1006 A N 0.972 123.649 122.820 -0.238 0.000 1.845 1006 A HA -0.150 4.172 4.320 0.004 0.000 0.215 1006 A C 2.424 179.759 177.584 -0.415 0.000 1.195 1006 A CA 1.554 53.392 52.037 -0.331 0.000 0.616 1006 A CB -0.941 17.762 19.000 -0.495 0.000 0.832 1006 A HN 0.200 nan 8.150 nan 0.000 0.443 1007 V N -0.595 118.980 119.914 -0.565 0.000 2.250 1007 V HA -0.359 3.764 4.120 0.004 0.000 0.250 1007 V C 2.393 177.954 176.094 -0.889 0.000 1.060 1007 V CA 2.469 64.295 62.300 -0.791 0.000 1.030 1007 V CB -1.325 29.973 31.823 -0.875 0.000 0.643 1007 V HN 0.600 nan 8.190 nan 0.000 0.445 1008 F N 0.317 119.993 119.950 -0.458 0.000 2.095 1008 F HA -0.230 4.300 4.527 0.004 0.000 0.298 1008 F C 2.581 178.202 175.800 -0.298 0.000 1.104 1008 F CA 1.948 59.761 58.000 -0.312 0.000 1.232 1008 F CB -0.403 38.558 39.000 -0.064 0.000 0.987 1008 F HN 0.041 nan 8.300 nan 0.000 0.475 1009 K N 0.782 121.149 120.400 -0.055 0.000 2.160 1009 K HA -0.253 4.069 4.320 0.004 0.000 0.206 1009 K C 2.030 178.528 176.600 -0.170 0.000 1.047 1009 K CA 1.485 57.725 56.287 -0.079 0.000 0.930 1009 K CB -0.271 32.180 32.500 -0.082 0.000 0.720 1009 K HN 0.174 nan 8.250 nan 0.000 0.450 1010 N N -0.029 118.484 118.700 -0.312 0.000 2.080 1010 N HA -0.143 4.599 4.740 0.004 0.000 0.189 1010 N C 1.641 176.984 175.510 -0.278 0.000 1.036 1010 N CA 1.347 54.190 53.050 -0.345 0.000 0.846 1010 N CB -0.140 38.081 38.487 -0.442 0.000 1.015 1010 N HN 0.078 nan 8.380 nan 0.000 0.423 1011 F N 2.364 122.082 119.950 -0.386 0.000 2.095 1011 F HA -0.117 4.413 4.527 0.004 0.000 0.298 1011 F C 2.681 178.209 175.800 -0.453 0.000 1.104 1011 F CA 1.016 58.660 58.000 -0.593 0.000 1.232 1011 F CB -1.394 36.776 39.000 -1.384 0.000 0.987 1011 F HN 0.278 nan 8.300 nan 0.000 0.475 1012 E N 0.667 120.797 120.200 -0.117 0.000 2.070 1012 E HA -0.254 4.099 4.350 0.004 0.000 0.197 1012 E C 1.784 178.413 176.600 0.048 0.000 1.004 1012 E CA 2.042 58.506 56.400 0.106 0.000 0.805 1012 E CB -0.252 29.511 29.700 0.105 0.000 0.744 1012 E HN 0.558 nan 8.360 nan 0.000 0.451 1013 E N -0.559 119.620 120.200 -0.036 0.000 2.127 1013 E HA -0.008 4.345 4.350 0.004 0.000 0.191 1013 E C 1.932 178.480 176.600 -0.086 0.000 0.964 1013 E CA 0.396 56.765 56.400 -0.052 0.000 0.832 1013 E CB 0.089 29.744 29.700 -0.075 0.000 0.790 1013 E HN 0.292 nan 8.360 nan 0.000 0.465 1014 N N -0.163 118.411 118.700 -0.211 0.000 2.436 1014 N HA -0.017 4.726 4.740 0.004 0.000 0.178 1014 N C -0.072 175.344 175.510 -0.157 0.000 1.026 1014 N CA 0.742 53.583 53.050 -0.348 0.000 0.880 1014 N CB 0.359 38.352 38.487 -0.824 0.000 1.061 1014 N HN 0.094 nan 8.380 nan 0.000 0.434 1015 Y N 0.101 120.467 120.300 0.110 0.000 2.747 1015 Y HA 0.430 4.982 4.550 0.004 0.000 0.362 1015 Y C -1.827 174.177 175.900 0.173 0.000 1.026 1015 Y CA -3.048 55.126 58.100 0.124 0.000 1.135 1015 Y CB 1.056 39.578 38.460 0.104 0.000 1.175 1015 Y HN -0.020 nan 8.280 nan 0.000 0.643 1016 P HA -0.126 nan 4.420 nan 0.000 0.219 1016 P C 0.173 177.530 177.300 0.095 0.000 1.146 1016 P CA 1.597 64.824 63.100 0.213 0.000 0.808 1016 P CB 0.103 31.737 31.700 -0.111 0.000 0.779 1017 F N -0.566 119.551 119.950 0.278 0.000 2.732 1017 F HA 0.200 4.729 4.527 0.004 0.000 0.312 1017 F C 0.842 176.730 175.800 0.146 0.000 1.240 1017 F CA -0.935 57.178 58.000 0.188 0.000 1.211 1017 F CB -0.169 38.917 39.000 0.144 0.000 1.331 1017 F HN -0.147 nan 8.300 nan 0.000 0.537 1018 N N 1.991 120.887 118.700 0.327 0.000 2.434 1018 N HA 0.160 4.902 4.740 0.004 0.000 0.272 1018 N C -2.021 173.519 175.510 0.050 0.000 1.040 1018 N CA -1.723 51.371 53.050 0.073 0.000 0.956 1018 N CB 1.885 40.202 38.487 -0.282 0.000 1.108 1018 N HN 0.027 nan 8.380 nan 0.000 0.481 1019 P HA -0.194 nan 4.420 nan 0.000 0.213 1019 P C 1.647 178.944 177.300 -0.005 0.000 1.176 1019 P CA 0.982 64.086 63.100 0.007 0.000 0.919 1019 P CB 0.181 31.874 31.700 -0.013 0.000 0.791 1020 L N -1.940 119.268 121.223 -0.024 0.000 2.079 1020 L HA -0.190 4.153 4.340 0.004 0.000 0.210 1020 L C 2.433 179.348 176.870 0.075 0.000 1.081 1020 L CA 1.688 56.542 54.840 0.023 0.000 0.752 1020 L CB -1.276 40.809 42.059 0.044 0.000 0.896 1020 L HN -0.029 nan 8.230 nan 0.000 0.433 1021 Y N -1.546 118.648 120.300 -0.177 0.000 2.220 1021 Y HA -0.166 4.387 4.550 0.004 0.000 0.291 1021 Y C 2.230 178.103 175.900 -0.045 0.000 1.129 1021 Y CA 1.594 59.633 58.100 -0.103 0.000 1.161 1021 Y CB 0.048 38.288 38.460 -0.367 0.000 0.997 1021 Y HN -0.003 nan 8.280 nan 0.000 0.522 1022 V N 0.885 120.688 119.914 -0.185 0.000 2.358 1022 V HA -0.364 3.759 4.120 0.004 0.000 0.246 1022 V C 2.432 178.339 176.094 -0.312 0.000 1.047 1022 V CA 2.175 64.287 62.300 -0.313 0.000 1.035 1022 V CB -0.588 31.204 31.823 -0.051 0.000 0.658 1022 V HN 0.533 nan 8.190 nan 0.000 0.452 1023 M N -0.341 119.171 119.600 -0.147 0.000 2.108 1023 M HA -0.201 4.282 4.480 0.004 0.000 0.261 1023 M C 2.176 178.409 176.300 -0.111 0.000 1.066 1023 M CA 2.198 57.431 55.300 -0.111 0.000 1.107 1023 M CB -0.296 32.283 32.600 -0.035 0.000 1.356 1023 M HN 0.425 nan 8.290 nan 0.000 0.406 1024 A N -0.770 122.010 122.820 -0.066 0.000 1.968 1024 A HA -0.144 4.178 4.320 0.004 0.000 0.217 1024 A C 1.941 179.459 177.584 -0.110 0.000 1.169 1024 A CA 1.041 53.064 52.037 -0.024 0.000 0.638 1024 A CB -0.383 18.678 19.000 0.103 0.000 0.812 1024 A HN 0.447 nan 8.150 nan 0.000 0.446 1025 Q N 0.694 120.350 119.800 -0.241 0.000 2.033 1025 Q HA 0.050 4.392 4.340 0.004 0.000 0.196 1025 Q C 0.947 176.755 176.000 -0.321 0.000 0.970 1025 Q CA 0.833 56.459 55.803 -0.296 0.000 0.828 1025 Q CB -0.680 27.785 28.738 -0.455 0.000 0.895 1025 Q HN 0.562 nan 8.270 nan 0.000 0.440 1026 S N 0.118 115.449 115.700 -0.614 0.000 2.573 1026 S HA 0.176 4.649 4.470 0.004 0.000 0.277 1026 S C 1.188 175.688 174.600 -0.167 0.000 1.346 1026 S CA 0.176 58.060 58.200 -0.527 0.000 1.034 1026 S CB 0.877 63.665 63.200 -0.686 0.000 0.879 1026 S HN 0.498 nan 8.310 nan 0.000 0.528 1027 G N 0.824 109.608 108.800 -0.027 0.000 2.740 1027 G HA2 0.115 4.077 3.960 0.004 0.000 0.208 1027 G HA3 0.115 4.077 3.960 0.004 0.000 0.208 1027 G C 1.037 175.939 174.900 0.004 0.000 1.148 1027 G CA 0.485 45.587 45.100 0.003 0.000 0.795 1027 G HN 0.794 nan 8.290 nan 0.000 0.526 1028 A N 0.287 123.094 122.820 -0.021 0.000 2.037 1028 A HA 0.275 4.598 4.320 0.004 0.000 0.200 1028 A C 1.436 179.025 177.584 0.008 0.000 1.230 1028 A CA 0.879 52.917 52.037 0.001 0.000 0.695 1028 A CB 0.014 19.001 19.000 -0.022 0.000 0.883 1028 A HN 0.254 nan 8.150 nan 0.000 0.502 1029 R N -1.659 118.840 120.500 -0.001 0.000 2.698 1029 R HA 0.547 4.890 4.340 0.004 0.000 0.275 1029 R C -0.671 175.644 176.300 0.025 0.000 1.001 1029 R CA 0.428 56.538 56.100 0.016 0.000 0.896 1029 R CB 1.392 31.704 30.300 0.020 0.000 1.218 1029 R HN 1.705 nan 8.270 nan 0.000 0.462 1030 G N 1.976 110.802 108.800 0.044 0.000 2.627 1030 G HA2 -0.110 3.853 3.960 0.004 0.000 0.680 1030 G HA3 -0.110 3.853 3.960 0.004 0.000 0.680 1030 G C -1.557 173.393 174.900 0.083 0.000 1.341 1030 G CA -0.827 44.318 45.100 0.075 0.000 0.835 1030 G HN 0.633 nan 8.290 nan 0.000 0.643 1031 N N 2.254 121.023 118.700 0.115 0.000 2.240 1031 N HA 0.598 5.341 4.740 0.004 0.000 0.302 1031 N C -1.929 173.698 175.510 0.196 0.000 1.106 1031 N CA -1.919 51.203 53.050 0.121 0.000 0.778 1031 N CB 3.057 41.602 38.487 0.097 0.000 1.431 1031 N HN 0.077 nan 8.380 nan 0.000 0.479 1032 P HA -0.109 nan 4.420 nan 0.000 0.216 1032 P C 0.979 178.476 177.300 0.328 0.000 1.153 1032 P CA 1.391 64.757 63.100 0.444 0.000 0.858 1032 P CB 0.363 32.251 31.700 0.313 0.000 0.789 1033 Q N -0.819 119.094 119.800 0.188 0.000 2.230 1033 Q HA -0.110 4.232 4.340 0.004 0.000 0.202 1033 Q C 2.177 178.239 176.000 0.104 0.000 0.963 1033 Q CA 1.475 57.348 55.803 0.117 0.000 0.866 1033 Q CB -0.540 28.249 28.738 0.084 0.000 0.931 1033 Q HN 0.373 nan 8.270 nan 0.000 0.452 1034 Q N -0.671 119.209 119.800 0.134 0.000 2.020 1034 Q HA -0.078 4.265 4.340 0.004 0.000 0.198 1034 Q C 1.799 177.889 176.000 0.149 0.000 0.974 1034 Q CA 0.954 56.843 55.803 0.143 0.000 0.829 1034 Q CB -0.045 28.777 28.738 0.140 0.000 0.894 1034 Q HN 0.343 nan 8.270 nan 0.000 0.433 1035 I N 1.208 121.886 120.570 0.180 0.000 2.185 1035 I HA -0.339 3.834 4.170 0.004 0.000 0.246 1035 I C 2.389 178.541 176.117 0.058 0.000 1.088 1035 I CA 1.590 62.999 61.300 0.181 0.000 1.347 1035 I CB -1.224 36.961 38.000 0.308 0.000 1.041 1035 I HN 0.313 nan 8.210 nan 0.000 0.415 1036 R N 1.041 121.531 120.500 -0.017 0.000 2.117 1036 R HA -0.224 4.119 4.340 0.004 0.000 0.243 1036 R C 2.073 178.296 176.300 -0.129 0.000 1.143 1036 R CA 1.695 57.722 56.100 -0.121 0.000 0.968 1036 R CB -0.081 30.163 30.300 -0.094 0.000 0.863 1036 R HN 0.536 nan 8.270 nan 0.000 0.444 1037 Q N -0.292 119.448 119.800 -0.100 0.000 2.432 1037 Q HA -0.009 4.334 4.340 0.004 0.000 0.205 1037 Q C 1.819 177.604 176.000 -0.358 0.000 0.945 1037 Q CA 0.681 56.303 55.803 -0.302 0.000 0.924 1037 Q CB 0.307 28.954 28.738 -0.152 0.000 1.016 1037 Q HN 0.417 nan 8.270 nan 0.000 0.503 1038 L N -2.216 118.986 121.223 -0.035 0.000 2.349 1038 L HA 0.079 4.421 4.340 0.004 0.000 0.200 1038 L C 2.027 178.902 176.870 0.009 0.000 1.064 1038 L CA 0.260 55.147 54.840 0.077 0.000 0.821 1038 L CB -0.335 41.833 42.059 0.181 0.000 1.027 1038 L HN 0.137 nan 8.230 nan 0.000 0.476 1039 C N 0.182 119.479 119.300 -0.005 0.000 2.520 1039 C HA 0.327 4.790 4.460 0.004 0.000 0.291 1039 C C 2.243 177.167 174.990 -0.111 0.000 1.364 1039 C CA 0.268 59.272 59.018 -0.025 0.000 1.781 1039 C CB -0.535 27.213 27.740 0.014 0.000 2.171 1039 C HN 0.582 nan 8.230 nan 0.000 0.516 1040 G N 0.622 109.323 108.800 -0.164 0.000 3.152 1040 G HA2 0.489 4.451 3.960 0.004 0.000 0.157 1040 G HA3 0.489 4.451 3.960 0.004 0.000 0.157 1040 G C -0.442 174.360 174.900 -0.163 0.000 1.786 1040 G CA 0.402 45.392 45.100 -0.184 0.000 1.055 1040 G HN 0.594 nan 8.290 nan 0.000 0.528 1041 L N -3.006 118.122 121.223 -0.159 0.000 2.513 1041 L HA 0.614 4.957 4.340 0.004 0.000 0.261 1041 L C -0.311 176.453 176.870 -0.177 0.000 0.945 1041 L CA -1.156 53.575 54.840 -0.181 0.000 0.848 1041 L CB 2.403 44.396 42.059 -0.110 0.000 1.334 1041 L HN 0.476 nan 8.230 nan 0.000 0.407 1042 R N 1.491 121.832 120.500 -0.265 0.000 2.351 1042 R HA 0.367 4.710 4.340 0.004 0.000 0.321 1042 R C 0.730 176.957 176.300 -0.122 0.000 1.182 1042 R CA 0.615 56.601 56.100 -0.190 0.000 1.011 1042 R CB 0.821 30.966 30.300 -0.259 0.000 1.048 1042 R HN 1.004 nan 8.270 nan 0.000 0.490 1043 G N 4.526 113.285 108.800 -0.068 0.000 2.441 1043 G HA2 0.064 4.027 3.960 0.004 0.000 0.212 1043 G HA3 0.064 4.027 3.960 0.004 0.000 0.212 1043 G C 0.336 175.171 174.900 -0.108 0.000 1.164 1043 G CA -0.004 45.049 45.100 -0.078 0.000 0.811 1043 G HN 0.452 nan 8.290 nan 0.000 0.535 1044 L N 1.204 122.402 121.223 -0.042 0.000 2.376 1044 L HA 0.570 4.912 4.340 0.004 0.000 0.275 1044 L C -1.047 175.849 176.870 0.043 0.000 0.987 1044 L CA -0.605 54.221 54.840 -0.023 0.000 0.828 1044 L CB 2.272 44.327 42.059 -0.007 0.000 1.249 1044 L HN 0.025 nan 8.230 nan 0.000 0.409 1045 M N 2.962 122.623 119.600 0.103 0.000 2.106 1045 M HA 0.343 4.826 4.480 0.004 0.000 0.288 1045 M C -0.443 176.049 176.300 0.320 0.000 0.941 1045 M CA -0.859 54.545 55.300 0.174 0.000 0.934 1045 M CB 1.803 34.506 32.600 0.171 0.000 1.551 1045 M HN 0.539 nan 8.290 nan 0.000 0.437 1046 Q N 1.561 121.476 119.800 0.192 0.000 2.539 1046 Q HA 0.068 4.410 4.340 0.004 0.000 0.268 1046 Q C 0.173 176.194 176.000 0.035 0.000 1.109 1046 Q CA 0.902 56.752 55.803 0.077 0.000 0.968 1046 Q CB 0.954 29.703 28.738 0.019 0.000 1.309 1046 Q HN 0.405 nan 8.270 nan 0.000 0.497 1047 K N 1.570 121.711 120.400 -0.432 0.000 2.386 1047 K HA 0.093 4.416 4.320 0.004 0.000 0.249 1047 K C -1.610 174.784 176.600 -0.344 0.000 1.055 1047 K CA -1.370 54.489 56.287 -0.713 0.000 0.930 1047 K CB -0.388 31.472 32.500 -1.066 0.000 1.230 1047 K HN 0.339 nan 8.250 nan 0.000 0.507 1048 P HA -0.229 nan 4.420 nan 0.000 0.214 1048 P C 1.372 178.624 177.300 -0.080 0.000 1.163 1048 P CA 1.750 64.739 63.100 -0.186 0.000 0.883 1048 P CB 0.041 31.646 31.700 -0.158 0.000 0.788 1049 S N -1.806 113.827 115.700 -0.112 0.000 2.363 1049 S HA -0.037 4.436 4.470 0.004 0.000 0.218 1049 S C 1.918 176.490 174.600 -0.047 0.000 1.035 1049 S CA 1.696 59.858 58.200 -0.064 0.000 1.043 1049 S CB -1.355 61.798 63.200 -0.078 0.000 0.986 1049 S HN 0.306 nan 8.310 nan 0.000 0.423 1050 G N 1.007 109.762 108.800 -0.075 0.000 4.044 1050 G HA2 0.054 4.017 3.960 0.004 0.000 0.189 1050 G HA3 0.054 4.017 3.960 0.004 0.000 0.189 1050 G C -0.419 174.446 174.900 -0.058 0.000 0.838 1050 G CA -0.099 44.972 45.100 -0.047 0.000 0.876 1050 G HN 0.673 nan 8.290 nan 0.000 0.419 1051 E N 2.303 122.459 120.200 -0.074 0.000 2.498 1051 E HA 0.365 4.718 4.350 0.004 0.000 0.252 1051 E C 0.426 176.980 176.600 -0.077 0.000 1.025 1051 E CA 0.326 56.709 56.400 -0.028 0.000 0.938 1051 E CB 0.478 30.167 29.700 -0.018 0.000 0.947 1051 E HN 0.149 nan 8.360 nan 0.000 0.478 1052 T N 3.119 117.684 114.554 0.018 0.000 2.926 1052 T HA 0.072 4.424 4.350 0.004 0.000 0.307 1052 T C -0.154 174.567 174.700 0.036 0.000 1.059 1052 T CA -0.589 61.523 62.100 0.020 0.000 1.122 1052 T CB 0.066 68.971 68.868 0.062 0.000 0.972 1052 T HN 0.373 nan 8.240 nan 0.000 0.545 1053 F N 2.331 122.298 119.950 0.028 0.000 2.545 1053 F HA 0.193 4.723 4.527 0.004 0.000 0.348 1053 F C 1.850 177.643 175.800 -0.012 0.000 1.163 1053 F CA 0.057 58.045 58.000 -0.021 0.000 1.331 1053 F CB 0.531 39.499 39.000 -0.053 0.000 1.138 1053 F HN 0.827 nan 8.300 nan 0.000 0.602 1054 E N 0.753 121.046 120.200 0.155 0.000 2.216 1054 E HA -0.003 4.350 4.350 0.004 0.000 0.192 1054 E C -0.289 176.299 176.600 -0.019 0.000 0.988 1054 E CA 0.375 56.823 56.400 0.080 0.000 0.834 1054 E CB 0.308 29.995 29.700 -0.022 0.000 0.772 1054 E HN 0.291 nan 8.360 nan 0.000 0.479 1055 V N 2.995 122.890 119.914 -0.031 0.000 2.407 1055 V HA 0.288 4.411 4.120 0.004 0.000 0.278 1055 V C -2.095 173.817 176.094 -0.304 0.000 1.037 1055 V CA -1.603 60.591 62.300 -0.176 0.000 0.900 1055 V CB 1.191 32.938 31.823 -0.127 0.000 0.983 1055 V HN 0.169 nan 8.190 nan 0.000 0.459 1056 P HA 0.352 nan 4.420 nan 0.000 0.282 1056 P C -0.863 176.234 177.300 -0.338 0.000 1.287 1056 P CA -0.490 62.266 63.100 -0.573 0.000 0.792 1056 P CB 0.718 31.735 31.700 -1.139 0.000 1.163 1057 V N 1.778 121.548 119.914 -0.241 0.000 2.217 1057 V HA 0.218 4.341 4.120 0.004 0.000 0.264 1057 V C 1.529 177.547 176.094 -0.127 0.000 1.107 1057 V CA -0.093 62.114 62.300 -0.155 0.000 0.913 1057 V CB -0.128 31.627 31.823 -0.114 0.000 1.153 1057 V HN 0.464 nan 8.190 nan 0.000 0.469 1058 R N 1.657 122.097 120.500 -0.099 0.000 2.226 1058 R HA -0.128 4.214 4.340 0.004 0.000 0.246 1058 R C 1.359 177.631 176.300 -0.048 0.000 1.161 1058 R CA 1.403 57.486 56.100 -0.029 0.000 0.997 1058 R CB 0.018 30.321 30.300 0.005 0.000 0.870 1058 R HN 0.780 nan 8.270 nan 0.000 0.465 1059 S N -0.636 115.014 115.700 -0.082 0.000 2.672 1059 S HA 0.421 4.894 4.470 0.004 0.000 0.276 1059 S C 0.189 174.678 174.600 -0.186 0.000 1.207 1059 S CA -0.687 57.454 58.200 -0.097 0.000 1.002 1059 S CB 1.939 65.095 63.200 -0.073 0.000 0.998 1059 S HN 0.184 nan 8.310 nan 0.000 0.542 1060 S N 0.029 115.620 115.700 -0.181 0.000 2.767 1060 S HA 0.616 5.089 4.470 0.004 0.000 0.300 1060 S C -0.035 174.430 174.600 -0.225 0.000 1.123 1060 S CA -0.764 57.268 58.200 -0.280 0.000 0.992 1060 S CB 0.067 63.178 63.200 -0.149 0.000 1.138 1060 S HN 0.561 nan 8.310 nan 0.000 0.550 1061 F N 0.289 120.213 119.950 -0.043 0.000 2.664 1061 F HA 0.372 4.901 4.527 0.004 0.000 0.296 1061 F C 2.576 178.351 175.800 -0.042 0.000 1.125 1061 F CA -0.258 57.707 58.000 -0.058 0.000 1.444 1061 F CB -0.596 38.374 39.000 -0.051 0.000 1.114 1061 F HN 0.492 nan 8.300 nan 0.000 0.576 1062 R N 0.868 121.446 120.500 0.130 0.000 2.082 1062 R HA -0.130 4.213 4.340 0.004 0.000 0.234 1062 R C 1.013 177.344 176.300 0.051 0.000 1.136 1062 R CA 1.186 57.333 56.100 0.078 0.000 0.935 1062 R CB -0.356 29.973 30.300 0.049 0.000 0.842 1062 R HN 0.330 nan 8.270 nan 0.000 0.430 1063 E N -0.950 119.268 120.200 0.030 0.000 2.254 1063 E HA 0.216 4.569 4.350 0.004 0.000 0.261 1063 E C -0.624 175.988 176.600 0.021 0.000 1.051 1063 E CA -0.409 56.002 56.400 0.018 0.000 0.902 1063 E CB 0.973 30.674 29.700 0.002 0.000 1.168 1063 E HN 0.292 nan 8.360 nan 0.000 0.423 1064 G N 2.500 111.307 108.800 0.012 0.000 2.209 1064 G HA2 0.054 4.017 3.960 0.004 0.000 0.271 1064 G HA3 0.054 4.017 3.960 0.004 0.000 0.271 1064 G C -0.112 174.788 174.900 -0.001 0.000 1.111 1064 G CA -0.058 45.046 45.100 0.006 0.000 1.092 1064 G HN 0.322 nan 8.290 nan 0.000 0.416 1065 L N 4.199 125.422 121.223 0.001 0.000 2.530 1065 L HA 0.263 4.605 4.340 0.004 0.000 0.273 1065 L C 1.114 177.970 176.870 -0.023 0.000 1.141 1065 L CA 0.039 54.867 54.840 -0.020 0.000 0.905 1065 L CB 0.020 42.071 42.059 -0.013 0.000 1.202 1065 L HN 0.426 nan 8.230 nan 0.000 0.473 1066 T N 3.123 117.676 114.554 -0.001 0.000 2.663 1066 T HA 0.057 4.410 4.350 0.004 0.000 0.325 1066 T C 1.587 176.327 174.700 0.067 0.000 1.059 1066 T CA 0.149 62.263 62.100 0.022 0.000 1.039 1066 T CB 0.614 69.489 68.868 0.012 0.000 0.996 1066 T HN 0.490 nan 8.240 nan 0.000 0.539 1067 V N 2.549 122.509 119.914 0.077 0.000 2.231 1067 V HA -0.154 3.969 4.120 0.004 0.000 0.248 1067 V C 2.608 178.790 176.094 0.146 0.000 1.054 1067 V CA 1.980 64.350 62.300 0.117 0.000 1.015 1067 V CB -0.808 31.063 31.823 0.079 0.000 0.638 1067 V HN 0.734 nan 8.190 nan 0.000 0.444 1068 L N -0.788 120.484 121.223 0.082 0.000 2.209 1068 L HA -0.034 4.309 4.340 0.004 0.000 0.207 1068 L C 2.553 179.460 176.870 0.063 0.000 1.094 1068 L CA 0.962 55.838 54.840 0.061 0.000 0.790 1068 L CB -0.304 41.741 42.059 -0.023 0.000 0.932 1068 L HN 0.355 nan 8.230 nan 0.000 0.447 1069 E N -0.957 119.271 120.200 0.046 0.000 2.265 1069 E HA -0.255 4.098 4.350 0.004 0.000 0.196 1069 E C 1.734 178.431 176.600 0.162 0.000 0.996 1069 E CA 0.987 57.406 56.400 0.031 0.000 0.832 1069 E CB -0.025 29.669 29.700 -0.008 0.000 0.756 1069 E HN 0.562 nan 8.360 nan 0.000 0.491 1070 Y N -0.314 120.021 120.300 0.058 0.000 2.109 1070 Y HA -0.266 4.287 4.550 0.004 0.000 0.285 1070 Y C 2.160 178.114 175.900 0.089 0.000 1.131 1070 Y CA 0.521 58.663 58.100 0.071 0.000 1.121 1070 Y CB -0.037 38.453 38.460 0.051 0.000 0.987 1070 Y HN 0.027 nan 8.280 nan 0.000 0.495 1071 F N 0.809 120.786 119.950 0.045 0.000 2.192 1071 F HA -0.302 4.228 4.527 0.004 0.000 0.301 1071 F C 1.995 177.753 175.800 -0.070 0.000 1.079 1071 F CA 0.963 58.903 58.000 -0.100 0.000 1.303 1071 F CB -0.501 38.448 39.000 -0.085 0.000 1.024 1071 F HN 0.074 nan 8.300 nan 0.000 0.494 1072 I N -1.111 119.612 120.570 0.255 0.000 2.353 1072 I HA -0.204 3.969 4.170 0.004 0.000 0.248 1072 I C 2.429 178.721 176.117 0.291 0.000 1.119 1072 I CA 1.126 62.532 61.300 0.176 0.000 1.417 1072 I CB -1.568 36.290 38.000 -0.237 0.000 1.078 1072 I HN 0.019 nan 8.210 nan 0.000 0.421 1073 S N 0.684 116.517 115.700 0.220 0.000 2.461 1073 S HA -0.074 4.399 4.470 0.004 0.000 0.228 1073 S C 2.123 176.832 174.600 0.182 0.000 1.005 1073 S CA 1.083 59.415 58.200 0.220 0.000 0.942 1073 S CB -0.061 63.284 63.200 0.241 0.000 0.776 1073 S HN 0.618 nan 8.310 nan 0.000 0.514 1074 S N 1.585 117.337 115.700 0.087 0.000 2.383 1074 S HA -0.168 4.305 4.470 0.004 0.000 0.227 1074 S C 1.625 176.219 174.600 -0.010 0.000 1.026 1074 S CA 0.879 59.037 58.200 -0.070 0.000 0.981 1074 S CB -0.775 62.217 63.200 -0.347 0.000 0.818 1074 S HN 0.571 nan 8.310 nan 0.000 0.472 1075 H N 1.797 120.957 119.070 0.150 0.000 2.289 1075 H HA -0.072 4.487 4.556 0.004 0.000 0.296 1075 H C 2.610 178.014 175.328 0.127 0.000 1.091 1075 H CA 1.718 57.863 56.048 0.161 0.000 1.274 1075 H CB -1.119 28.783 29.762 0.233 0.000 1.364 1075 H HN 0.596 nan 8.280 nan 0.000 0.490 1076 G N 0.267 109.230 108.800 0.272 0.000 2.422 1076 G HA2 -0.161 3.802 3.960 0.004 0.000 0.218 1076 G HA3 -0.161 3.802 3.960 0.004 0.000 0.218 1076 G C 1.997 176.982 174.900 0.141 0.000 1.146 1076 G CA 1.070 46.281 45.100 0.186 0.000 0.769 1076 G HN 0.521 nan 8.290 nan 0.000 0.547 1077 A N 0.563 123.451 122.820 0.114 0.000 1.930 1077 A HA 0.063 4.385 4.320 0.004 0.000 0.217 1077 A C 2.350 179.975 177.584 0.068 0.000 1.175 1077 A CA 1.932 54.017 52.037 0.079 0.000 0.627 1077 A CB -0.332 18.699 19.000 0.052 0.000 0.815 1077 A HN 0.282 nan 8.150 nan 0.000 0.443 1078 R N 0.083 120.618 120.500 0.058 0.000 2.092 1078 R HA -0.035 4.308 4.340 0.004 0.000 0.231 1078 R C 2.044 178.395 176.300 0.085 0.000 1.119 1078 R CA 1.965 58.094 56.100 0.049 0.000 0.970 1078 R CB -0.398 29.921 30.300 0.032 0.000 0.864 1078 R HN 0.537 nan 8.270 nan 0.000 0.440 1079 K N -1.241 119.233 120.400 0.124 0.000 2.155 1079 K HA 0.001 4.323 4.320 0.004 0.000 0.203 1079 K C 1.778 178.485 176.600 0.179 0.000 1.052 1079 K CA 1.276 57.651 56.287 0.146 0.000 0.948 1079 K CB -0.264 32.336 32.500 0.167 0.000 0.728 1079 K HN 0.323 nan 8.250 nan 0.000 0.448 1080 G N -0.067 108.844 108.800 0.185 0.000 2.414 1080 G HA2 -0.179 3.783 3.960 0.004 0.000 0.215 1080 G HA3 -0.179 3.783 3.960 0.004 0.000 0.215 1080 G C 1.512 176.505 174.900 0.155 0.000 1.188 1080 G CA 0.710 45.942 45.100 0.220 0.000 0.783 1080 G HN 0.441 nan 8.290 nan 0.000 0.537 1081 G N 0.842 109.702 108.800 0.099 0.000 2.462 1081 G HA2 0.060 4.023 3.960 0.004 0.000 0.220 1081 G HA3 0.060 4.023 3.960 0.004 0.000 0.220 1081 G C 1.834 176.769 174.900 0.059 0.000 1.121 1081 G CA 1.538 46.676 45.100 0.065 0.000 0.758 1081 G HN 0.677 nan 8.290 nan 0.000 0.559 1082 A N 0.065 122.928 122.820 0.073 0.000 1.984 1082 A HA 0.142 4.465 4.320 0.004 0.000 0.214 1082 A C 2.017 179.633 177.584 0.053 0.000 1.173 1082 A CA 1.442 53.511 52.037 0.054 0.000 0.673 1082 A CB 0.042 19.077 19.000 0.059 0.000 0.830 1082 A HN 0.215 nan 8.150 nan 0.000 0.453 1083 D N -0.235 120.230 120.400 0.109 0.000 2.183 1083 D HA -0.083 4.560 4.640 0.004 0.000 0.205 1083 D C 2.302 178.641 176.300 0.064 0.000 0.962 1083 D CA 1.897 55.958 54.000 0.101 0.000 0.849 1083 D CB -0.262 40.701 40.800 0.272 0.000 0.978 1083 D HN 0.567 nan 8.370 nan 0.000 0.488 1084 T N -0.362 114.264 114.554 0.119 0.000 2.746 1084 T HA -0.068 4.285 4.350 0.004 0.000 0.267 1084 T C 2.093 176.807 174.700 0.024 0.000 1.039 1084 T CA 1.376 63.529 62.100 0.089 0.000 1.142 1084 T CB -0.270 68.656 68.868 0.097 0.000 0.866 1084 T HN 0.036 nan 8.240 nan 0.000 0.444 1085 A N 0.505 123.333 122.820 0.013 0.000 2.119 1085 A HA 0.386 4.708 4.320 0.004 0.000 0.217 1085 A C 2.250 179.808 177.584 -0.043 0.000 1.153 1085 A CA 0.585 52.614 52.037 -0.012 0.000 0.692 1085 A CB -0.704 18.291 19.000 -0.007 0.000 0.799 1085 A HN 0.520 nan 8.150 nan 0.000 0.458 1086 L N -1.572 119.611 121.223 -0.067 0.000 2.270 1086 L HA 0.029 4.372 4.340 0.004 0.000 0.210 1086 L C 2.456 179.238 176.870 -0.146 0.000 1.104 1086 L CA 0.604 55.373 54.840 -0.118 0.000 0.804 1086 L CB -0.013 41.945 42.059 -0.168 0.000 0.937 1086 L HN 0.153 nan 8.230 nan 0.000 0.450 1087 R N -0.910 119.509 120.500 -0.135 0.000 2.115 1087 R HA -0.054 4.289 4.340 0.004 0.000 0.226 1087 R C 2.156 178.408 176.300 -0.080 0.000 1.100 1087 R CA 1.385 57.410 56.100 -0.125 0.000 0.980 1087 R CB -1.190 29.065 30.300 -0.075 0.000 0.875 1087 R HN 0.211 nan 8.270 nan 0.000 0.445 1088 T N 0.401 114.921 114.554 -0.058 0.000 2.652 1088 T HA -0.171 4.182 4.350 0.004 0.000 0.267 1088 T C 1.782 176.451 174.700 -0.053 0.000 1.039 1088 T CA 1.819 63.892 62.100 -0.046 0.000 1.153 1088 T CB -0.367 68.481 68.868 -0.033 0.000 0.863 1088 T HN 0.380 nan 8.240 nan 0.000 0.428 1089 A N 1.041 123.822 122.820 -0.066 0.000 2.014 1089 A HA -0.056 4.267 4.320 0.004 0.000 0.218 1089 A C 2.070 179.616 177.584 -0.065 0.000 1.163 1089 A CA 1.281 53.271 52.037 -0.079 0.000 0.652 1089 A CB -0.378 18.560 19.000 -0.104 0.000 0.808 1089 A HN 0.312 nan 8.150 nan 0.000 0.449 1090 D N -0.906 119.457 120.400 -0.062 0.000 2.234 1090 D HA -0.051 4.592 4.640 0.004 0.000 0.205 1090 D C 2.180 178.471 176.300 -0.016 0.000 0.962 1090 D CA 1.299 55.281 54.000 -0.030 0.000 0.855 1090 D CB 0.151 40.896 40.800 -0.091 0.000 0.951 1090 D HN 0.410 nan 8.370 nan 0.000 0.500 1091 S N -0.686 114.990 115.700 -0.040 0.000 2.388 1091 S HA -0.005 4.468 4.470 0.004 0.000 0.223 1091 S C 2.076 176.662 174.600 -0.024 0.000 1.034 1091 S CA 1.428 59.600 58.200 -0.047 0.000 0.963 1091 S CB -0.214 62.953 63.200 -0.055 0.000 0.827 1091 S HN 0.243 nan 8.310 nan 0.000 0.481 1092 G N -0.604 108.190 108.800 -0.010 0.000 2.422 1092 G HA2 -0.149 3.814 3.960 0.004 0.000 0.218 1092 G HA3 -0.149 3.814 3.960 0.004 0.000 0.218 1092 G C 1.341 176.281 174.900 0.067 0.000 1.140 1092 G CA 0.695 45.798 45.100 0.005 0.000 0.775 1092 G HN 0.634 nan 8.290 nan 0.000 0.545 1093 Y N -0.156 120.073 120.300 -0.119 0.000 2.163 1093 Y HA -0.102 4.450 4.550 0.004 0.000 0.288 1093 Y C 2.623 178.422 175.900 -0.168 0.000 1.136 1093 Y CA 0.668 58.674 58.100 -0.158 0.000 1.147 1093 Y CB 0.048 38.413 38.460 -0.158 0.000 0.987 1093 Y HN 0.195 nan 8.280 nan 0.000 0.509 1094 L N 0.040 121.240 121.223 -0.039 0.000 2.127 1094 L HA -0.220 4.122 4.340 0.004 0.000 0.211 1094 L C 2.134 178.913 176.870 -0.151 0.000 1.089 1094 L CA 2.223 56.962 54.840 -0.169 0.000 0.757 1094 L CB -0.811 41.147 42.059 -0.169 0.000 0.899 1094 L HN 0.131 nan 8.230 nan 0.000 0.434 1095 T N -1.169 113.337 114.554 -0.080 0.000 2.867 1095 T HA -0.160 4.193 4.350 0.004 0.000 0.268 1095 T C 2.017 176.685 174.700 -0.053 0.000 1.057 1095 T CA 1.405 63.474 62.100 -0.052 0.000 1.136 1095 T CB -0.163 68.690 68.868 -0.025 0.000 0.874 1095 T HN 0.303 nan 8.240 nan 0.000 0.466 1096 R N 1.165 121.626 120.500 -0.065 0.000 2.057 1096 R HA 0.047 4.389 4.340 0.004 0.000 0.229 1096 R C 2.240 178.436 176.300 -0.174 0.000 1.136 1096 R CA 1.185 57.234 56.100 -0.085 0.000 0.952 1096 R CB -0.033 30.249 30.300 -0.029 0.000 0.848 1096 R HN 0.241 nan 8.270 nan 0.000 0.430 1097 K N 0.026 120.229 120.400 -0.330 0.000 2.442 1097 K HA -0.154 4.169 4.320 0.004 0.000 0.199 1097 K C 1.517 178.062 176.600 -0.092 0.000 1.044 1097 K CA 0.672 56.773 56.287 -0.311 0.000 0.941 1097 K CB 0.027 32.280 32.500 -0.412 0.000 0.759 1097 K HN 0.096 nan 8.250 nan 0.000 0.472 1098 L N -0.504 120.689 121.223 -0.050 0.000 2.145 1098 L HA -0.066 4.277 4.340 0.004 0.000 0.201 1098 L C 2.016 178.923 176.870 0.061 0.000 1.075 1098 L CA 1.055 55.919 54.840 0.040 0.000 0.773 1098 L CB -0.308 41.773 42.059 0.037 0.000 0.936 1098 L HN -0.126 nan 8.230 nan 0.000 0.451 1099 V N -0.370 119.567 119.914 0.039 0.000 2.261 1099 V HA -0.305 3.817 4.120 0.004 0.000 0.246 1099 V C 2.160 178.321 176.094 0.111 0.000 1.047 1099 V CA 1.865 64.207 62.300 0.070 0.000 1.015 1099 V CB -0.667 31.178 31.823 0.037 0.000 0.642 1099 V HN 0.423 nan 8.190 nan 0.000 0.446 1100 D N 0.231 120.668 120.400 0.061 0.000 2.244 1100 D HA -0.180 4.463 4.640 0.004 0.000 0.197 1100 D C 1.891 178.300 176.300 0.181 0.000 1.006 1100 D CA 2.196 56.245 54.000 0.081 0.000 0.888 1100 D CB 0.053 40.910 40.800 0.095 0.000 0.912 1100 D HN 0.537 nan 8.370 nan 0.000 0.452 1101 V N -1.301 118.716 119.914 0.172 0.000 3.048 1101 V HA 0.021 4.143 4.120 0.004 0.000 0.241 1101 V C 2.148 178.322 176.094 0.133 0.000 1.129 1101 V CA 1.169 63.574 62.300 0.174 0.000 1.128 1101 V CB -0.139 31.773 31.823 0.148 0.000 0.849 1101 V HN 0.128 nan 8.190 nan 0.000 0.475 1102 T N -1.369 113.253 114.554 0.113 0.000 3.122 1102 T HA 0.039 4.391 4.350 0.004 0.000 0.250 1102 T C 1.716 176.413 174.700 -0.004 0.000 1.067 1102 T CA 0.529 62.656 62.100 0.044 0.000 0.966 1102 T CB -0.701 68.208 68.868 0.069 0.000 1.002 1102 T HN 0.738 nan 8.240 nan 0.000 0.542 1103 H N 2.825 121.892 119.070 -0.006 0.000 2.353 1103 H HA -0.133 4.425 4.556 0.004 0.000 0.300 1103 H C 1.827 177.128 175.328 -0.046 0.000 1.090 1103 H CA 1.866 57.899 56.048 -0.024 0.000 1.327 1103 H CB -0.491 29.253 29.762 -0.031 0.000 1.383 1103 H HN 0.722 nan 8.280 nan 0.000 0.508 1104 E N 1.663 121.143 120.200 -1.200 0.000 2.204 1104 E HA -0.077 4.276 4.350 0.004 0.000 0.195 1104 E C 0.569 176.966 176.600 -0.339 0.000 0.990 1104 E CA 0.170 56.070 56.400 -0.833 0.000 0.821 1104 E CB -0.127 29.029 29.700 -0.907 0.000 0.750 1104 E HN 0.283 nan 8.360 nan 0.000 0.477 1105 I N 2.940 123.374 120.570 -0.226 0.000 2.671 1105 I HA 0.019 4.192 4.170 0.004 0.000 0.285 1105 I C -0.131 175.932 176.117 -0.091 0.000 1.148 1105 I CA 0.315 61.555 61.300 -0.100 0.000 1.386 1105 I CB 0.064 38.036 38.000 -0.046 0.000 1.406 1105 I HN -0.023 nan 8.210 nan 0.000 0.540 1106 V N 7.085 126.950 119.914 -0.081 0.000 2.888 1106 V HA 0.282 4.405 4.120 0.004 0.000 0.309 1106 V C -0.098 175.939 176.094 -0.095 0.000 1.114 1106 V CA -0.863 61.382 62.300 -0.091 0.000 0.940 1106 V CB 2.841 34.618 31.823 -0.077 0.000 1.021 1106 V HN 0.348 nan 8.190 nan 0.000 0.426 1107 V N 6.098 125.932 119.914 -0.132 0.000 2.381 1107 V HA 0.357 4.480 4.120 0.004 0.000 0.257 1107 V C 0.287 176.294 176.094 -0.144 0.000 1.057 1107 V CA -0.171 62.042 62.300 -0.145 0.000 1.013 1107 V CB -0.260 31.450 31.823 -0.189 0.000 1.069 1107 V HN 0.851 nan 8.190 nan 0.000 0.484 1108 R N 4.139 124.557 120.500 -0.136 0.000 2.539 1108 R HA 0.746 5.089 4.340 0.004 0.000 0.295 1108 R C -0.814 175.377 176.300 -0.182 0.000 1.138 1108 R CA -0.657 55.346 56.100 -0.162 0.000 0.936 1108 R CB 2.080 32.347 30.300 -0.056 0.000 1.182 1108 R HN 0.784 nan 8.270 nan 0.000 0.459 1109 E N 2.051 122.050 120.200 -0.335 0.000 2.315 1109 E HA 0.773 5.126 4.350 0.004 0.000 0.256 1109 E C -1.758 174.695 176.600 -0.244 0.000 1.148 1109 E CA -0.968 55.303 56.400 -0.214 0.000 0.898 1109 E CB 0.854 30.466 29.700 -0.147 0.000 1.708 1109 E HN 0.629 nan 8.360 nan 0.000 0.473 1110 A N 0.826 123.587 122.820 -0.098 0.000 2.520 1110 A HA 0.502 4.824 4.320 0.004 0.000 0.298 1110 A C -1.419 176.152 177.584 -0.022 0.000 1.051 1110 A CA -0.428 51.593 52.037 -0.027 0.000 0.690 1110 A CB 1.025 20.040 19.000 0.025 0.000 1.281 1110 A HN 0.767 nan 8.150 nan 0.000 0.402 1111 D N 1.630 122.027 120.400 -0.006 0.000 2.518 1111 D HA 0.037 4.679 4.640 0.004 0.000 0.270 1111 D C 0.849 177.144 176.300 -0.008 0.000 1.338 1111 D CA 0.352 54.348 54.000 -0.006 0.000 0.983 1111 D CB -0.254 40.546 40.800 0.001 0.000 1.126 1111 D HN 0.826 nan 8.370 nan 0.000 0.543 1112 C N 2.317 121.609 119.300 -0.013 0.000 2.523 1112 C HA 0.363 4.826 4.460 0.004 0.000 0.406 1112 C C 1.919 176.906 174.990 -0.005 0.000 1.449 1112 C CA -0.136 58.876 59.018 -0.010 0.000 1.588 1112 C CB -0.371 27.361 27.740 -0.013 0.000 2.514 1112 C HN 0.663 nan 8.230 nan 0.000 0.606 1113 G N 3.169 111.968 108.800 -0.000 0.000 2.744 1113 G HA2 0.115 4.078 3.960 0.004 0.000 0.211 1113 G HA3 0.115 4.078 3.960 0.004 0.000 0.211 1113 G C 0.781 175.687 174.900 0.009 0.000 1.143 1113 G CA 0.787 45.889 45.100 0.003 0.000 0.788 1113 G HN 0.949 nan 8.290 nan 0.000 0.534 1114 T N 1.488 116.048 114.554 0.011 0.000 2.727 1114 T HA 0.416 4.769 4.350 0.004 0.000 0.295 1114 T C -0.229 174.493 174.700 0.036 0.000 0.915 1114 T CA -0.191 61.922 62.100 0.022 0.000 1.066 1114 T CB 0.209 69.087 68.868 0.018 0.000 0.891 1114 T HN -0.038 nan 8.240 nan 0.000 0.516 1115 T N 7.383 121.970 114.554 0.054 0.000 2.853 1115 T HA 0.375 4.728 4.350 0.004 0.000 0.317 1115 T C -0.241 174.561 174.700 0.169 0.000 1.059 1115 T CA -0.844 61.315 62.100 0.099 0.000 0.954 1115 T CB -0.080 68.831 68.868 0.072 0.000 0.994 1115 T HN 0.681 nan 8.240 nan 0.000 0.479 1116 N N 3.896 122.687 118.700 0.152 0.000 2.576 1116 N HA 0.292 5.034 4.740 0.004 0.000 0.269 1116 N C -1.082 174.476 175.510 0.081 0.000 1.058 1116 N CA -0.697 52.398 53.050 0.075 0.000 0.860 1116 N CB 1.780 40.274 38.487 0.013 0.000 1.249 1116 N HN 0.630 nan 8.380 nan 0.000 0.525 1117 Y N -0.196 120.092 120.300 -0.021 0.000 2.567 1117 Y HA 0.680 5.233 4.550 0.004 0.000 0.333 1117 Y C -0.404 175.481 175.900 -0.024 0.000 1.106 1117 Y CA -1.343 56.738 58.100 -0.031 0.000 1.157 1117 Y CB 1.165 39.601 38.460 -0.041 0.000 1.277 1117 Y HN 0.163 nan 8.280 nan 0.000 0.490 1118 I N 2.341 122.932 120.570 0.035 0.000 2.437 1118 I HA 0.259 4.432 4.170 0.004 0.000 0.298 1118 I C -0.420 175.727 176.117 0.051 0.000 0.984 1118 I CA -0.607 60.682 61.300 -0.018 0.000 1.214 1118 I CB 1.926 39.921 38.000 -0.008 0.000 1.365 1118 I HN 0.871 nan 8.210 nan 0.000 0.469 1119 S N 5.559 121.267 115.700 0.013 0.000 2.420 1119 S HA 0.489 4.962 4.470 0.004 0.000 0.313 1119 S C -0.358 174.259 174.600 0.028 0.000 1.079 1119 S CA -0.760 57.468 58.200 0.046 0.000 1.104 1119 S CB 1.012 64.232 63.200 0.033 0.000 0.969 1119 S HN 0.281 nan 8.310 nan 0.000 0.471 1120 V N 5.457 125.388 119.914 0.027 0.000 2.455 1120 V HA 0.281 4.404 4.120 0.004 0.000 0.273 1120 V C -2.157 173.946 176.094 0.015 0.000 1.045 1120 V CA -1.615 60.692 62.300 0.011 0.000 0.976 1120 V CB 0.583 32.403 31.823 -0.005 0.000 0.993 1120 V HN 0.687 nan 8.190 nan 0.000 0.475 1121 P HA 0.217 nan 4.420 nan 0.000 0.279 1121 P C 0.032 177.324 177.300 -0.013 0.000 1.239 1121 P CA -0.304 62.817 63.100 0.035 0.000 0.789 1121 P CB 0.854 32.583 31.700 0.048 0.000 0.933 1122 L N 1.455 122.658 121.223 -0.032 0.000 2.556 1122 L HA 0.333 4.675 4.340 0.004 0.000 0.226 1122 L C 0.332 176.908 176.870 -0.489 0.000 1.089 1122 L CA 0.519 55.191 54.840 -0.280 0.000 0.864 1122 L CB -1.022 40.797 42.059 -0.400 0.000 1.067 1122 L HN 0.280 nan 8.230 nan 0.000 0.477 1123 F N -0.209 119.745 119.950 0.008 0.000 2.532 1123 F HA 0.567 5.097 4.527 0.004 0.000 0.321 1123 F C 0.383 176.189 175.800 0.010 0.000 1.089 1123 F CA -0.766 57.239 58.000 0.008 0.000 0.926 1123 F CB 1.409 40.412 39.000 0.006 0.000 1.168 1123 F HN -0.164 nan 8.300 nan 0.000 0.459 1124 Q N 3.244 123.157 119.800 0.189 0.000 2.333 1124 Q HA 0.312 4.654 4.340 0.004 0.000 0.267 1124 Q C -2.095 173.966 176.000 0.101 0.000 1.012 1124 Q CA -1.788 54.083 55.803 0.113 0.000 0.824 1124 Q CB 2.253 31.034 28.738 0.072 0.000 1.290 1124 Q HN 0.328 nan 8.270 nan 0.000 0.449 1125 P HA -0.184 nan 4.420 nan 0.000 0.205 1125 P C -0.078 177.245 177.300 0.039 0.000 1.181 1125 P CA 1.272 64.401 63.100 0.048 0.000 0.933 1125 P CB 0.290 32.012 31.700 0.037 0.000 0.775 1126 D N -1.048 119.373 120.400 0.034 0.000 2.462 1126 D HA 0.050 4.693 4.640 0.004 0.000 0.249 1126 D C 0.403 176.721 176.300 0.030 0.000 1.117 1126 D CA -0.095 53.921 54.000 0.027 0.000 0.900 1126 D CB 0.646 41.457 40.800 0.018 0.000 1.039 1126 D HN -0.135 nan 8.370 nan 0.000 0.516 1127 E N 1.854 122.072 120.200 0.031 0.000 2.175 1127 E HA 0.133 4.486 4.350 0.004 0.000 0.195 1127 E C -0.054 176.561 176.600 0.024 0.000 0.934 1127 E CA 0.571 56.989 56.400 0.030 0.000 0.870 1127 E CB 0.562 30.282 29.700 0.033 0.000 0.838 1127 E HN 0.234 nan 8.360 nan 0.000 0.474 1128 V N 1.358 121.286 119.914 0.023 0.000 2.435 1128 V HA 0.129 4.252 4.120 0.004 0.000 0.290 1128 V C 1.445 177.549 176.094 0.017 0.000 1.030 1128 V CA 0.347 62.658 62.300 0.019 0.000 0.881 1128 V CB 1.340 33.174 31.823 0.018 0.000 0.983 1128 V HN 0.361 nan 8.190 nan 0.000 0.445 1129 T N 4.713 119.275 114.554 0.014 0.000 2.041 1129 T HA -0.304 4.048 4.350 0.004 0.000 0.171 1129 T C 0.792 175.500 174.700 0.014 0.000 1.787 1129 T CA 2.208 64.315 62.100 0.013 0.000 0.997 1129 T CB -0.048 68.827 68.868 0.011 0.000 0.822 1129 T HN 0.605 nan 8.240 nan 0.000 0.410 1130 R N 0.869 121.376 120.500 0.012 0.000 2.468 1130 R HA 0.552 4.895 4.340 0.004 0.000 0.302 1130 R C -1.430 174.874 176.300 0.007 0.000 1.041 1130 R CA -0.040 56.066 56.100 0.010 0.000 0.899 1130 R CB 2.066 32.370 30.300 0.008 0.000 1.167 1130 R HN 0.554 nan 8.270 nan 0.000 0.483 1131 S N 2.316 118.022 115.700 0.011 0.000 2.720 1131 S HA 0.391 4.864 4.470 0.004 0.000 0.278 1131 S C -0.936 173.675 174.600 0.018 0.000 1.172 1131 S CA -0.934 57.272 58.200 0.009 0.000 1.019 1131 S CB 1.248 64.457 63.200 0.015 0.000 1.049 1131 S HN 0.230 nan 8.310 nan 0.000 0.483 1132 L N 3.445 124.666 121.223 -0.003 0.000 2.410 1132 L HA 0.462 4.805 4.340 0.004 0.000 0.273 1132 L C 0.589 177.500 176.870 0.068 0.000 1.152 1132 L CA 0.837 55.678 54.840 0.003 0.000 0.855 1132 L CB 0.112 42.103 42.059 -0.113 0.000 1.129 1132 L HN 0.711 nan 8.230 nan 0.000 0.463 1133 R N 3.144 123.760 120.500 0.193 0.000 2.771 1133 R HA 0.542 4.884 4.340 0.004 0.000 0.274 1133 R C -1.387 175.186 176.300 0.455 0.000 0.987 1133 R CA -1.328 54.925 56.100 0.254 0.000 0.908 1133 R CB 1.510 31.891 30.300 0.135 0.000 1.213 1133 R HN 0.270 nan 8.270 nan 0.000 0.468 1134 L N 2.576 123.986 121.223 0.310 0.000 2.418 1134 L HA 0.208 4.551 4.340 0.004 0.000 0.274 1134 L C 0.596 177.412 176.870 -0.091 0.000 1.135 1134 L CA 0.267 55.079 54.840 -0.047 0.000 0.870 1134 L CB 0.265 42.292 42.059 -0.054 0.000 1.154 1134 L HN 0.523 nan 8.230 nan 0.000 0.462 1135 R N 3.895 124.281 120.500 -0.190 0.000 2.811 1135 R HA 0.040 4.383 4.340 0.004 0.000 0.265 1135 R C -0.102 176.145 176.300 -0.088 0.000 1.026 1135 R CA -0.040 56.000 56.100 -0.100 0.000 1.142 1135 R CB 0.443 30.674 30.300 -0.115 0.000 1.027 1135 R HN 0.667 nan 8.270 nan 0.000 0.465 1136 K N 2.077 122.449 120.400 -0.047 0.000 2.440 1136 K HA -0.096 4.226 4.320 0.004 0.000 0.270 1136 K C 1.137 177.704 176.600 -0.054 0.000 0.980 1136 K CA 0.113 56.376 56.287 -0.039 0.000 0.953 1136 K CB 0.407 32.896 32.500 -0.018 0.000 0.925 1136 K HN 0.537 nan 8.250 nan 0.000 0.497 1137 R N 1.741 122.212 120.500 -0.048 0.000 2.091 1137 R HA -0.224 4.119 4.340 0.004 0.000 0.238 1137 R C 1.984 178.261 176.300 -0.039 0.000 1.136 1137 R CA 1.840 57.912 56.100 -0.046 0.000 0.959 1137 R CB -0.233 30.041 30.300 -0.043 0.000 0.856 1137 R HN 0.811 nan 8.270 nan 0.000 0.437 1138 A N 1.015 123.813 122.820 -0.037 0.000 1.845 1138 A HA -0.202 4.121 4.320 0.004 0.000 0.215 1138 A C 1.767 179.319 177.584 -0.053 0.000 1.195 1138 A CA 1.855 53.866 52.037 -0.044 0.000 0.616 1138 A CB -0.847 18.134 19.000 -0.032 0.000 0.832 1138 A HN 0.351 nan 8.150 nan 0.000 0.443 1139 D N -0.009 120.366 120.400 -0.041 0.000 2.160 1139 D HA -0.187 4.456 4.640 0.004 0.000 0.189 1139 D C 1.773 178.036 176.300 -0.062 0.000 1.003 1139 D CA 1.613 55.588 54.000 -0.043 0.000 0.846 1139 D CB -0.378 40.406 40.800 -0.028 0.000 0.949 1139 D HN 0.479 nan 8.370 nan 0.000 0.446 1140 I N 0.601 121.132 120.570 -0.066 0.000 2.264 1140 I HA -0.261 3.912 4.170 0.004 0.000 0.248 1140 I C 2.175 178.251 176.117 -0.067 0.000 1.111 1140 I CA 1.163 62.420 61.300 -0.072 0.000 1.382 1140 I CB -0.236 37.712 38.000 -0.088 0.000 1.060 1140 I HN 0.096 nan 8.210 nan 0.000 0.418 1141 E N 0.834 120.996 120.200 -0.063 0.000 2.077 1141 E HA -0.199 4.154 4.350 0.004 0.000 0.193 1141 E C 2.351 178.879 176.600 -0.120 0.000 0.989 1141 E CA 1.245 57.605 56.400 -0.066 0.000 0.800 1141 E CB -0.201 29.450 29.700 -0.082 0.000 0.746 1141 E HN 0.516 nan 8.360 nan 0.000 0.452 1142 A N 0.995 123.721 122.820 -0.157 0.000 1.940 1142 A HA -0.131 4.191 4.320 0.004 0.000 0.219 1142 A C 2.370 179.727 177.584 -0.379 0.000 1.176 1142 A CA 1.824 53.707 52.037 -0.256 0.000 0.631 1142 A CB -1.002 17.908 19.000 -0.150 0.000 0.814 1142 A HN 0.372 nan 8.150 nan 0.000 0.446 1143 G N -1.240 107.444 108.800 -0.193 0.000 2.408 1143 G HA2 0.079 4.041 3.960 0.004 0.000 0.215 1143 G HA3 0.079 4.041 3.960 0.004 0.000 0.215 1143 G C 1.352 176.198 174.900 -0.091 0.000 1.156 1143 G CA 0.776 45.800 45.100 -0.127 0.000 0.793 1143 G HN 0.401 nan 8.290 nan 0.000 0.535 1144 L N -0.686 120.491 121.223 -0.077 0.000 2.693 1144 L HA 0.362 4.705 4.340 0.004 0.000 0.235 1144 L C 0.549 177.392 176.870 -0.046 0.000 1.127 1144 L CA -0.669 54.138 54.840 -0.055 0.000 0.914 1144 L CB 0.262 42.292 42.059 -0.049 0.000 1.193 1144 L HN 0.281 nan 8.230 nan 0.000 0.502 1145 Y N 1.009 121.214 120.300 -0.157 0.000 2.610 1145 Y HA 0.174 4.726 4.550 0.005 0.000 0.332 1145 Y C 1.455 177.317 175.900 -0.063 0.000 1.201 1145 Y CA 0.543 58.575 58.100 -0.113 0.000 1.465 1145 Y CB 0.703 39.090 38.460 -0.121 0.000 1.283 1145 Y HN 0.216 nan 8.280 nan 0.000 0.563 1146 G N 5.471 113.684 108.800 -0.978 0.000 2.422 1146 G HA2 -0.286 3.677 3.960 0.004 0.000 0.301 1146 G HA3 -0.286 3.677 3.960 0.004 0.000 0.301 1146 G C 0.265 174.762 174.900 -0.672 0.000 0.981 1146 G CA 0.249 44.629 45.100 -1.200 0.000 0.994 1146 G HN 0.608 nan 8.290 nan 0.000 0.514 1147 R N -1.630 118.598 120.500 -0.453 0.000 2.705 1147 R HA 0.679 5.022 4.340 0.004 0.000 0.246 1147 R C -0.067 175.994 176.300 -0.398 0.000 1.142 1147 R CA -0.804 55.108 56.100 -0.313 0.000 1.114 1147 R CB 1.375 31.567 30.300 -0.180 0.000 1.256 1147 R HN 0.134 nan 8.270 nan 0.000 0.536 1148 V N 2.370 122.054 119.914 -0.383 0.000 2.409 1148 V HA 0.291 4.414 4.120 0.004 0.000 0.291 1148 V C 0.511 176.417 176.094 -0.312 0.000 1.020 1148 V CA -0.756 61.248 62.300 -0.494 0.000 0.848 1148 V CB 1.557 32.996 31.823 -0.641 0.000 0.990 1148 V HN 0.473 nan 8.190 nan 0.000 0.430 1149 L N 3.855 124.913 121.223 -0.276 0.000 2.559 1149 L HA 0.083 4.426 4.340 0.004 0.000 0.274 1149 L C 1.654 178.388 176.870 -0.227 0.000 1.205 1149 L CA 0.289 55.005 54.840 -0.207 0.000 0.907 1149 L CB 0.995 42.952 42.059 -0.170 0.000 1.153 1149 L HN 0.884 nan 8.230 nan 0.000 0.490 1150 A N 5.855 128.529 122.820 -0.244 0.000 2.016 1150 A HA 0.044 4.367 4.320 0.004 0.000 0.217 1150 A C 0.896 178.227 177.584 -0.423 0.000 1.162 1150 A CA 0.845 52.675 52.037 -0.345 0.000 0.662 1150 A CB 0.085 18.804 19.000 -0.469 0.000 0.812 1150 A HN 0.738 nan 8.150 nan 0.000 0.450 1151 R N -0.638 119.637 120.500 -0.375 0.000 2.799 1151 R HA 0.412 4.755 4.340 0.004 0.000 0.270 1151 R C -0.985 175.211 176.300 -0.173 0.000 1.010 1151 R CA -0.764 55.164 56.100 -0.286 0.000 0.916 1151 R CB 0.911 31.010 30.300 -0.334 0.000 1.228 1151 R HN 0.359 nan 8.270 nan 0.000 0.469 1152 E N 1.430 121.556 120.200 -0.124 0.000 2.360 1152 E HA 0.251 4.603 4.350 0.004 0.000 0.269 1152 E C -1.099 175.463 176.600 -0.064 0.000 1.022 1152 E CA -0.270 56.080 56.400 -0.083 0.000 0.887 1152 E CB 0.945 30.607 29.700 -0.063 0.000 0.990 1152 E HN 0.258 nan 8.360 nan 0.000 0.426 1153 V N 4.902 124.786 119.914 -0.050 0.000 2.569 1153 V HA 0.189 4.312 4.120 0.004 0.000 0.301 1153 V C -0.893 175.190 176.094 -0.020 0.000 1.044 1153 V CA -0.766 61.515 62.300 -0.032 0.000 0.874 1153 V CB 1.830 33.635 31.823 -0.030 0.000 1.002 1153 V HN 0.740 nan 8.190 nan 0.000 0.424 1154 E N 3.172 123.365 120.200 -0.012 0.000 2.115 1154 E HA 0.505 4.858 4.350 0.004 0.000 0.282 1154 E C -0.259 176.342 176.600 0.002 0.000 0.987 1154 E CA -0.298 56.099 56.400 -0.005 0.000 0.797 1154 E CB 2.185 31.882 29.700 -0.004 0.000 1.086 1154 E HN 0.486 nan 8.360 nan 0.000 0.397 1155 V N 3.215 123.132 119.914 0.005 0.000 4.262 1155 V HA 0.021 4.143 4.120 0.004 0.000 0.188 1155 V C 1.569 177.672 176.094 0.014 0.000 1.073 1155 V CA -0.263 62.044 62.300 0.012 0.000 1.445 1155 V CB -0.400 31.431 31.823 0.015 0.000 1.904 1155 V HN 0.613 nan 8.190 nan 0.000 0.449 1156 L N -0.132 121.101 121.223 0.016 0.000 2.395 1156 L HA 0.267 4.610 4.340 0.004 0.000 0.218 1156 L C 1.483 178.361 176.870 0.013 0.000 1.130 1156 L CA 1.409 56.259 54.840 0.016 0.000 0.826 1156 L CB 0.563 42.633 42.059 0.019 0.000 0.941 1156 L HN 0.802 nan 8.230 nan 0.000 0.451 1157 G N -1.906 106.900 108.800 0.011 0.000 3.847 1157 G HA2 -0.067 3.896 3.960 0.004 0.000 0.189 1157 G HA3 -0.067 3.896 3.960 0.004 0.000 0.189 1157 G C 0.018 174.923 174.900 0.008 0.000 0.907 1157 G CA -0.103 45.003 45.100 0.009 0.000 0.893 1157 G HN -0.056 nan 8.290 nan 0.000 0.379 1158 V N 1.540 121.460 119.914 0.009 0.000 3.003 1158 V HA 0.477 4.600 4.120 0.004 0.000 0.305 1158 V C 0.747 176.843 176.094 0.002 0.000 1.078 1158 V CA -0.287 62.017 62.300 0.007 0.000 1.083 1158 V CB 1.527 33.355 31.823 0.009 0.000 1.039 1158 V HN 0.300 nan 8.190 nan 0.000 0.481 1159 R N 2.516 123.016 120.500 -0.000 0.000 2.278 1159 R HA 0.384 4.727 4.340 0.004 0.000 0.322 1159 R C -0.788 175.506 176.300 -0.010 0.000 1.058 1159 R CA -0.496 55.600 56.100 -0.006 0.000 0.991 1159 R CB 0.363 30.660 30.300 -0.006 0.000 1.140 1159 R HN 0.697 nan 8.270 nan 0.000 0.518 1160 L N 6.276 127.490 121.223 -0.015 0.000 2.456 1160 L HA 0.052 4.395 4.340 0.004 0.000 0.277 1160 L C 0.761 177.610 176.870 -0.036 0.000 1.124 1160 L CA 0.082 54.907 54.840 -0.025 0.000 0.880 1160 L CB 0.303 42.343 42.059 -0.031 0.000 1.192 1160 L HN 0.626 nan 8.230 nan 0.000 0.463 1161 E N 4.432 124.612 120.200 -0.033 0.000 2.391 1161 E HA 0.080 4.433 4.350 0.004 0.000 0.255 1161 E C -0.292 176.268 176.600 -0.066 0.000 1.187 1161 E CA -0.716 55.660 56.400 -0.040 0.000 0.941 1161 E CB 0.995 30.681 29.700 -0.024 0.000 1.010 1161 E HN 0.408 nan 8.360 nan 0.000 0.458 1162 E N -0.194 119.960 120.200 -0.076 0.000 2.390 1162 E HA 0.121 4.474 4.350 0.004 0.000 0.261 1162 E C 0.858 177.387 176.600 -0.118 0.000 1.076 1162 E CA 0.828 57.162 56.400 -0.111 0.000 0.905 1162 E CB 0.850 30.484 29.700 -0.110 0.000 0.984 1162 E HN 0.783 nan 8.360 nan 0.000 0.427 1163 G N 3.577 112.273 108.800 -0.174 0.000 2.270 1163 G HA2 -0.389 3.574 3.960 0.004 0.000 0.268 1163 G HA3 -0.389 3.574 3.960 0.004 0.000 0.268 1163 G C 0.614 175.347 174.900 -0.279 0.000 0.982 1163 G CA 1.047 46.010 45.100 -0.229 0.000 0.628 1163 G HN 0.607 nan 8.290 nan 0.000 0.544 1164 R N 0.132 120.541 120.500 -0.153 0.000 2.522 1164 R HA 0.351 4.694 4.340 0.004 0.000 0.284 1164 R C -0.328 175.881 176.300 -0.153 0.000 1.032 1164 R CA -0.395 55.672 56.100 -0.055 0.000 1.049 1164 R CB -0.038 30.249 30.300 -0.021 0.000 0.956 1164 R HN 0.215 nan 8.270 nan 0.000 0.422 1165 Y N 6.039 126.252 120.300 -0.145 0.000 2.531 1165 Y HA 0.116 4.669 4.550 0.004 0.000 0.347 1165 Y C 0.135 175.813 175.900 -0.371 0.000 1.024 1165 Y CA -0.661 57.239 58.100 -0.333 0.000 1.306 1165 Y CB 0.408 38.675 38.460 -0.322 0.000 1.149 1165 Y HN 0.361 nan 8.280 nan 0.000 0.527 1166 L N 2.213 123.262 121.223 -0.289 0.000 2.418 1166 L HA 0.378 4.721 4.340 0.004 0.000 0.274 1166 L C 0.675 177.394 176.870 -0.253 0.000 1.135 1166 L CA -0.576 54.142 54.840 -0.203 0.000 0.870 1166 L CB 0.317 42.279 42.059 -0.161 0.000 1.154 1166 L HN 0.580 nan 8.230 nan 0.000 0.462 1167 S N 3.286 118.947 115.700 -0.066 0.000 2.624 1167 S HA 0.170 4.643 4.470 0.004 0.000 0.263 1167 S C 0.982 175.632 174.600 0.084 0.000 1.287 1167 S CA -0.554 57.682 58.200 0.060 0.000 0.990 1167 S CB 1.147 64.431 63.200 0.139 0.000 0.950 1167 S HN 0.770 nan 8.310 nan 0.000 0.561 1168 M N 1.023 120.788 119.600 0.275 0.000 2.202 1168 M HA -0.096 4.386 4.480 0.004 0.000 0.262 1168 M C 1.625 177.768 176.300 -0.262 0.000 1.063 1168 M CA 1.736 57.103 55.300 0.113 0.000 1.097 1168 M CB -0.813 31.822 32.600 0.058 0.000 1.382 1168 M HN 0.872 nan 8.290 nan 0.000 0.413 1169 D N -0.500 119.835 120.400 -0.108 0.000 2.224 1169 D HA -0.138 4.504 4.640 0.004 0.000 0.205 1169 D C 0.967 177.274 176.300 0.012 0.000 0.965 1169 D CA 1.240 55.195 54.000 -0.075 0.000 0.852 1169 D CB 0.044 40.867 40.800 0.039 0.000 0.947 1169 D HN 0.426 nan 8.370 nan 0.000 0.494 1170 D N -0.338 120.065 120.400 0.004 0.000 2.123 1170 D HA -0.093 4.549 4.640 0.004 0.000 0.200 1170 D C 2.181 178.493 176.300 0.019 0.000 0.976 1170 D CA 0.421 54.429 54.000 0.013 0.000 0.831 1170 D CB -0.153 40.641 40.800 -0.011 0.000 0.974 1170 D HN 0.073 nan 8.370 nan 0.000 0.469 1171 V N 0.983 120.896 119.914 -0.001 0.000 2.867 1171 V HA -0.194 3.929 4.120 0.004 0.000 0.260 1171 V C 1.742 177.897 176.094 0.103 0.000 1.099 1171 V CA 1.390 63.702 62.300 0.020 0.000 1.122 1171 V CB -0.595 31.238 31.823 0.016 0.000 0.708 1171 V HN 0.278 nan 8.190 nan 0.000 0.490 1172 H N -0.969 118.109 119.070 0.013 0.000 2.415 1172 H HA 0.067 4.626 4.556 0.005 0.000 0.297 1172 H C 1.901 177.228 175.328 -0.002 0.000 1.048 1172 H CA 1.095 57.144 56.048 0.002 0.000 1.365 1172 H CB -0.072 29.698 29.762 0.012 0.000 1.421 1172 H HN 0.341 nan 8.280 nan 0.000 0.533 1173 L N 0.679 121.983 121.223 0.134 0.000 1.994 1173 L HA -0.110 4.233 4.340 0.004 0.000 0.208 1173 L C 2.040 178.936 176.870 0.044 0.000 1.071 1173 L CA 1.387 56.269 54.840 0.071 0.000 0.745 1173 L CB -0.880 41.210 42.059 0.052 0.000 0.892 1173 L HN 0.160 nan 8.230 nan 0.000 0.431 1174 L N -1.025 120.219 121.223 0.035 0.000 2.042 1174 L HA -0.272 4.071 4.340 0.004 0.000 0.210 1174 L C 2.561 179.436 176.870 0.008 0.000 1.076 1174 L CA 1.695 56.545 54.840 0.017 0.000 0.749 1174 L CB -0.839 41.222 42.059 0.004 0.000 0.893 1174 L HN 0.275 nan 8.230 nan 0.000 0.432 1175 I N 0.210 120.783 120.570 0.005 0.000 2.099 1175 I HA -0.340 3.833 4.170 0.004 0.000 0.239 1175 I C 2.818 178.928 176.117 -0.013 0.000 1.066 1175 I CA 1.633 62.917 61.300 -0.028 0.000 1.324 1175 I CB -0.455 37.532 38.000 -0.023 0.000 1.037 1175 I HN 0.284 nan 8.210 nan 0.000 0.401 1176 K N 1.307 121.708 120.400 0.002 0.000 2.113 1176 K HA -0.243 4.080 4.320 0.004 0.000 0.208 1176 K C 2.113 178.728 176.600 0.025 0.000 1.047 1176 K CA 1.688 57.980 56.287 0.008 0.000 0.928 1176 K CB -0.094 32.412 32.500 0.009 0.000 0.716 1176 K HN 0.355 nan 8.250 nan 0.000 0.446 1177 A N 0.964 123.802 122.820 0.030 0.000 1.872 1177 A HA -0.021 4.301 4.320 0.004 0.000 0.214 1177 A C 2.343 179.968 177.584 0.067 0.000 1.187 1177 A CA 1.596 53.658 52.037 0.041 0.000 0.614 1177 A CB -0.767 18.255 19.000 0.036 0.000 0.826 1177 A HN 0.465 nan 8.150 nan 0.000 0.442 1178 A N 0.091 122.956 122.820 0.075 0.000 1.940 1178 A HA -0.217 4.106 4.320 0.004 0.000 0.219 1178 A C 1.866 179.586 177.584 0.226 0.000 1.176 1178 A CA 1.769 53.902 52.037 0.160 0.000 0.631 1178 A CB -0.592 18.431 19.000 0.039 0.000 0.814 1178 A HN 0.672 nan 8.150 nan 0.000 0.446 1179 E N -0.250 120.023 120.200 0.121 0.000 2.058 1179 E HA -0.167 4.185 4.350 0.004 0.000 0.194 1179 E C 2.281 178.941 176.600 0.099 0.000 0.997 1179 E CA 1.146 57.614 56.400 0.113 0.000 0.801 1179 E CB -0.332 29.398 29.700 0.051 0.000 0.746 1179 E HN 0.632 nan 8.360 nan 0.000 0.450 1180 A N 0.502 123.366 122.820 0.072 0.000 2.015 1180 A HA 0.089 4.412 4.320 0.004 0.000 0.219 1180 A C 1.610 179.227 177.584 0.054 0.000 1.163 1180 A CA 1.147 53.214 52.037 0.051 0.000 0.646 1180 A CB -0.395 18.628 19.000 0.038 0.000 0.806 1180 A HN 0.371 nan 8.150 nan 0.000 0.448 1181 G N -0.682 108.168 108.800 0.084 0.000 2.600 1181 G HA2 -0.124 3.839 3.960 0.004 0.000 0.251 1181 G HA3 -0.124 3.839 3.960 0.004 0.000 0.251 1181 G C -0.046 174.885 174.900 0.052 0.000 1.142 1181 G CA 0.292 45.433 45.100 0.069 0.000 0.994 1181 G HN 0.557 nan 8.290 nan 0.000 0.511 1182 E N -1.072 119.169 120.200 0.069 0.000 2.541 1182 E HA 0.295 4.648 4.350 0.004 0.000 0.219 1182 E C 0.500 177.136 176.600 0.059 0.000 0.922 1182 E CA 0.644 57.073 56.400 0.049 0.000 1.095 1182 E CB 0.923 30.646 29.700 0.039 0.000 1.112 1182 E HN 0.820 nan 8.360 nan 0.000 0.516 1183 I N -1.622 119.005 120.570 0.095 0.000 2.649 1183 I HA 0.216 4.389 4.170 0.004 0.000 0.289 1183 I C 0.065 176.286 176.117 0.174 0.000 1.222 1183 I CA -0.554 60.805 61.300 0.098 0.000 1.046 1183 I CB 1.906 39.945 38.000 0.066 0.000 1.272 1183 I HN -0.311 nan 8.210 nan 0.000 0.425 1184 Q N 2.055 121.950 119.800 0.158 0.000 2.392 1184 Q HA 0.351 4.694 4.340 0.004 0.000 0.219 1184 Q C 0.097 176.197 176.000 0.168 0.000 0.895 1184 Q CA 0.528 56.470 55.803 0.231 0.000 0.929 1184 Q CB 0.853 29.673 28.738 0.137 0.000 1.077 1184 Q HN 0.679 nan 8.270 nan 0.000 0.532 1185 E N -0.490 119.772 120.200 0.103 0.000 2.446 1185 E HA 0.553 4.905 4.350 0.004 0.000 0.267 1185 E C -1.207 175.426 176.600 0.056 0.000 0.955 1185 E CA -0.841 55.603 56.400 0.074 0.000 0.842 1185 E CB 2.547 32.289 29.700 0.069 0.000 1.504 1185 E HN -0.242 nan 8.360 nan 0.000 0.438 1186 V N 2.037 121.981 119.914 0.050 0.000 2.655 1186 V HA 0.266 4.389 4.120 0.004 0.000 0.301 1186 V C -2.567 173.565 176.094 0.062 0.000 1.082 1186 V CA -1.524 60.797 62.300 0.036 0.000 0.899 1186 V CB 2.070 33.896 31.823 0.005 0.000 1.014 1186 V HN 0.482 nan 8.190 nan 0.000 0.429 1187 P HA 0.417 nan 4.420 nan 0.000 0.282 1187 P C -0.914 176.397 177.300 0.019 0.000 1.262 1187 P CA 0.047 63.227 63.100 0.133 0.000 0.773 1187 P CB 2.309 33.996 31.700 -0.022 0.000 0.879 1188 V N 4.399 124.365 119.914 0.087 0.000 3.077 1188 V HA 0.354 4.477 4.120 0.004 0.000 0.299 1188 V C -0.691 175.415 176.094 0.021 0.000 1.276 1188 V CA -0.991 61.299 62.300 -0.017 0.000 0.993 1188 V CB 2.701 34.496 31.823 -0.046 0.000 1.076 1188 V HN 0.413 nan 8.190 nan 0.000 0.434 1189 R N 2.503 122.972 120.500 -0.051 0.000 2.582 1189 R HA 0.712 5.055 4.340 0.004 0.000 0.271 1189 R C -0.235 176.036 176.300 -0.050 0.000 1.078 1189 R CA 0.118 56.198 56.100 -0.033 0.000 1.127 1189 R CB 1.372 31.623 30.300 -0.081 0.000 1.038 1189 R HN 0.876 nan 8.270 nan 0.000 0.500 1190 S N 1.305 116.987 115.700 -0.029 0.000 2.543 1190 S HA 0.297 4.769 4.470 0.004 0.000 0.274 1190 S C -2.408 172.178 174.600 -0.024 0.000 1.149 1190 S CA -1.110 57.062 58.200 -0.046 0.000 0.866 1190 S CB 1.785 64.959 63.200 -0.042 0.000 1.111 1190 S HN 0.214 nan 8.310 nan 0.000 0.457 1191 P HA 0.013 nan 4.420 nan 0.000 0.222 1191 P C 1.221 178.517 177.300 -0.007 0.000 1.142 1191 P CA 0.839 63.940 63.100 0.002 0.000 0.788 1191 P CB 0.042 31.758 31.700 0.026 0.000 0.767 1192 L N -1.450 119.764 121.223 -0.015 0.000 2.456 1192 L HA -0.064 4.279 4.340 0.004 0.000 0.224 1192 L C 0.884 177.748 176.870 -0.010 0.000 1.148 1192 L CA 1.554 56.385 54.840 -0.015 0.000 0.825 1192 L CB -0.812 41.236 42.059 -0.019 0.000 0.937 1192 L HN 0.160 nan 8.230 nan 0.000 0.450 1193 T N -5.610 108.940 114.554 -0.007 0.000 3.460 1193 T HA 0.156 4.509 4.350 0.004 0.000 0.304 1193 T C 0.032 174.731 174.700 -0.000 0.000 0.991 1193 T CA -0.528 61.571 62.100 -0.002 0.000 0.975 1193 T CB -0.679 68.189 68.868 -0.000 0.000 1.196 1193 T HN 0.026 nan 8.240 nan 0.000 0.490 1194 C N 2.034 121.330 119.300 -0.007 0.000 2.595 1194 C HA 0.379 4.842 4.460 0.004 0.000 0.384 1194 C C 2.023 176.999 174.990 -0.023 0.000 1.289 1194 C CA -0.125 58.887 59.018 -0.010 0.000 2.372 1194 C CB 1.177 28.912 27.740 -0.009 0.000 2.593 1194 C HN 0.750 nan 8.230 nan 0.000 0.639 1195 Q N 1.106 120.891 119.800 -0.024 0.000 2.259 1195 Q HA -0.000 4.343 4.340 0.004 0.000 0.201 1195 Q C 0.594 176.559 176.000 -0.059 0.000 0.938 1195 Q CA 0.881 56.662 55.803 -0.037 0.000 0.872 1195 Q CB -0.266 28.458 28.738 -0.023 0.000 0.971 1195 Q HN 0.867 nan 8.270 nan 0.000 0.494 1196 T N 4.018 118.542 114.554 -0.049 0.000 2.708 1196 T HA -0.027 4.325 4.350 0.004 0.000 0.271 1196 T C 1.201 175.848 174.700 -0.088 0.000 0.985 1196 T CA 0.241 62.305 62.100 -0.059 0.000 1.229 1196 T CB 0.286 69.131 68.868 -0.038 0.000 0.934 1196 T HN 0.399 nan 8.240 nan 0.000 0.522 1197 R N 3.593 123.997 120.500 -0.160 0.000 2.132 1197 R HA -0.149 4.194 4.340 0.004 0.000 0.233 1197 R C 0.252 176.409 176.300 -0.240 0.000 1.125 1197 R CA 1.416 57.335 56.100 -0.301 0.000 0.914 1197 R CB -0.434 29.571 30.300 -0.492 0.000 0.845 1197 R HN 0.613 nan 8.270 nan 0.000 0.431 1198 Y N 1.577 121.826 120.300 -0.086 0.000 2.593 1198 Y HA 0.482 5.035 4.550 0.004 0.000 0.331 1198 Y C 0.541 176.390 175.900 -0.084 0.000 0.986 1198 Y CA -0.261 57.783 58.100 -0.094 0.000 1.262 1198 Y CB 1.655 40.061 38.460 -0.090 0.000 1.098 1198 Y HN 0.669 nan 8.280 nan 0.000 0.506 1199 G N 0.825 109.669 108.800 0.074 0.000 2.357 1199 G HA2 0.163 4.126 3.960 0.004 0.000 0.643 1199 G HA3 0.163 4.126 3.960 0.004 0.000 0.643 1199 G C -1.990 172.904 174.900 -0.010 0.000 1.358 1199 G CA -1.126 43.978 45.100 0.007 0.000 0.986 1199 G HN 0.438 nan 8.290 nan 0.000 0.620 1200 V N -0.759 119.139 119.914 -0.026 0.000 3.040 1200 V HA 0.755 4.877 4.120 0.004 0.000 0.312 1200 V C 1.124 177.201 176.094 -0.028 0.000 1.115 1200 V CA -0.273 62.020 62.300 -0.013 0.000 0.998 1200 V CB 1.448 33.286 31.823 0.024 0.000 1.042 1200 V HN 1.915 nan 8.190 nan 0.000 0.433 1201 C N 0.782 120.075 119.300 -0.012 0.000 2.352 1201 C HA 0.521 4.984 4.460 0.004 0.000 0.387 1201 C C 1.588 176.585 174.990 0.012 0.000 1.294 1201 C CA -0.284 58.718 59.018 -0.028 0.000 2.137 1201 C CB 1.073 28.797 27.740 -0.027 0.000 2.146 1201 C HN 1.003 nan 8.230 nan 0.000 0.559 1202 Q N 0.297 120.097 119.800 -0.001 0.000 2.046 1202 Q HA -0.115 4.228 4.340 0.004 0.000 0.200 1202 Q C 2.182 178.249 176.000 0.111 0.000 0.975 1202 Q CA 1.718 57.557 55.803 0.061 0.000 0.836 1202 Q CB -0.038 28.723 28.738 0.037 0.000 0.896 1202 Q HN 0.742 nan 8.270 nan 0.000 0.428 1203 K N -0.772 119.656 120.400 0.046 0.000 2.217 1203 K HA -0.059 4.264 4.320 0.004 0.000 0.202 1203 K C 2.002 178.572 176.600 -0.051 0.000 1.051 1203 K CA 0.813 57.086 56.287 -0.024 0.000 0.952 1203 K CB 0.118 32.582 32.500 -0.059 0.000 0.736 1203 K HN 0.304 nan 8.250 nan 0.000 0.453 1204 C N -0.331 118.966 119.300 -0.005 0.000 2.492 1204 C HA -0.013 4.449 4.460 0.004 0.000 0.279 1204 C C 2.374 177.364 174.990 -0.001 0.000 1.335 1204 C CA -0.229 58.781 59.018 -0.015 0.000 1.734 1204 C CB -0.626 27.116 27.740 0.003 0.000 2.027 1204 C HN 0.451 nan 8.230 nan 0.000 0.496 1205 Y N 1.889 122.154 120.300 -0.059 0.000 2.062 1205 Y HA 0.308 4.861 4.550 0.005 0.000 0.272 1205 Y C 1.636 177.490 175.900 -0.077 0.000 1.117 1205 Y CA 2.329 60.385 58.100 -0.072 0.000 1.095 1205 Y CB -0.594 37.838 38.460 -0.046 0.000 0.985 1205 Y HN 0.381 nan 8.280 nan 0.000 0.479 1206 G N -2.483 106.374 108.800 0.096 0.000 2.249 1206 G HA2 -0.187 3.776 3.960 0.004 0.000 0.089 1206 G HA3 -0.187 3.776 3.960 0.004 0.000 0.089 1206 G C 0.264 175.366 174.900 0.337 0.000 1.206 1206 G CA -0.040 45.084 45.100 0.040 0.000 1.190 1206 G HN 0.331 nan 8.290 nan 0.000 0.454 1207 Y N 0.696 121.034 120.300 0.063 0.000 2.254 1207 Y HA 0.244 4.797 4.550 0.004 0.000 0.274 1207 Y C 1.383 177.328 175.900 0.076 0.000 1.093 1207 Y CA 0.528 58.651 58.100 0.039 0.000 1.105 1207 Y CB 0.066 38.477 38.460 -0.082 0.000 1.041 1207 Y HN 0.434 nan 8.280 nan 0.000 0.489 1208 D N 2.109 122.690 120.400 0.301 0.000 2.518 1208 D HA -0.016 4.627 4.640 0.004 0.000 0.270 1208 D C -0.429 176.066 176.300 0.325 0.000 1.338 1208 D CA 0.343 54.497 54.000 0.255 0.000 0.983 1208 D CB -0.142 40.824 40.800 0.276 0.000 1.126 1208 D HN 0.122 nan 8.370 nan 0.000 0.543 1209 L N 2.713 124.029 121.223 0.156 0.000 2.492 1209 L HA 0.329 4.672 4.340 0.004 0.000 0.263 1209 L C 1.353 178.263 176.870 0.067 0.000 1.062 1209 L CA -0.627 54.268 54.840 0.092 0.000 0.817 1209 L CB 1.108 43.179 42.059 0.020 0.000 1.441 1209 L HN 0.176 nan 8.230 nan 0.000 0.493 1210 S N 0.133 115.862 115.700 0.048 0.000 2.469 1210 S HA 0.020 4.492 4.470 0.004 0.000 0.238 1210 S C 0.769 175.377 174.600 0.013 0.000 0.998 1210 S CA 0.827 59.060 58.200 0.055 0.000 0.957 1210 S CB -0.283 62.955 63.200 0.062 0.000 0.764 1210 S HN 0.390 nan 8.310 nan 0.000 0.514 1211 M N -0.078 119.496 119.600 -0.044 0.000 2.359 1211 M HA 0.351 4.833 4.480 0.004 0.000 0.322 1211 M C 0.896 177.017 176.300 -0.298 0.000 1.166 1211 M CA -0.287 54.910 55.300 -0.172 0.000 1.067 1211 M CB 1.242 33.772 32.600 -0.116 0.000 1.523 1211 M HN 0.117 nan 8.290 nan 0.000 0.467 1212 A N 2.541 125.055 122.820 -0.510 0.000 2.238 1212 A HA 0.038 4.361 4.320 0.004 0.000 0.208 1212 A C 0.772 177.870 177.584 -0.810 0.000 1.177 1212 A CA 0.307 51.972 52.037 -0.619 0.000 0.804 1212 A CB -0.247 18.330 19.000 -0.705 0.000 0.823 1212 A HN 0.844 nan 8.150 nan 0.000 0.482 1213 R N -0.290 119.884 120.500 -0.543 0.000 2.549 1213 R HA 0.475 4.818 4.340 0.004 0.000 0.259 1213 R C -2.846 173.242 176.300 -0.353 0.000 1.095 1213 R CA -1.607 54.178 56.100 -0.525 0.000 1.148 1213 R CB -0.168 29.940 30.300 -0.321 0.000 1.181 1213 R HN -0.108 nan 8.270 nan 0.000 0.571 1214 P HA -0.177 nan 4.420 nan 0.000 0.268 1214 P C -0.695 176.608 177.300 0.005 0.000 1.189 1214 P CA 0.030 63.060 63.100 -0.116 0.000 0.771 1214 P CB 0.377 31.909 31.700 -0.280 0.000 0.822 1215 V N 3.366 123.361 119.914 0.136 0.000 2.585 1215 V HA 0.012 4.135 4.120 0.004 0.000 0.296 1215 V C 0.037 176.139 176.094 0.012 0.000 1.035 1215 V CA 0.508 62.865 62.300 0.094 0.000 1.084 1215 V CB 0.115 32.032 31.823 0.156 0.000 0.953 1215 V HN 0.467 nan 8.190 nan 0.000 0.483 1216 S N 7.927 123.615 115.700 -0.019 0.000 2.499 1216 S HA 0.441 4.914 4.470 0.004 0.000 0.275 1216 S C 0.096 174.665 174.600 -0.052 0.000 1.257 1216 S CA -0.392 57.795 58.200 -0.021 0.000 1.050 1216 S CB 0.480 63.677 63.200 -0.005 0.000 0.937 1216 S HN 0.664 nan 8.310 nan 0.000 0.490 1217 I N 2.689 123.212 120.570 -0.079 0.000 2.826 1217 I HA 0.051 4.224 4.170 0.004 0.000 0.295 1217 I C 1.409 177.483 176.117 -0.071 0.000 1.213 1217 I CA 0.944 62.143 61.300 -0.168 0.000 1.436 1217 I CB 0.005 37.730 38.000 -0.459 0.000 1.348 1217 I HN 0.999 nan 8.210 nan 0.000 0.570 1218 G N 4.375 113.121 108.800 -0.089 0.000 2.148 1218 G HA2 -0.228 3.735 3.960 0.004 0.000 0.203 1218 G HA3 -0.228 3.735 3.960 0.004 0.000 0.203 1218 G C 0.005 174.872 174.900 -0.055 0.000 0.993 1218 G CA -0.122 44.954 45.100 -0.039 0.000 0.661 1218 G HN 0.723 nan 8.290 nan 0.000 0.518 1219 E N 0.680 120.822 120.200 -0.097 0.000 2.167 1219 E HA 0.650 5.002 4.350 0.004 0.000 0.284 1219 E C 0.839 177.356 176.600 -0.137 0.000 1.016 1219 E CA -0.188 56.145 56.400 -0.111 0.000 0.817 1219 E CB 0.819 30.430 29.700 -0.149 0.000 1.080 1219 E HN 0.715 nan 8.360 nan 0.000 0.397 1220 A N 5.119 127.884 122.820 -0.092 0.000 2.993 1220 A HA 0.060 4.382 4.320 0.004 0.000 0.281 1220 A C 1.045 178.571 177.584 -0.097 0.000 1.847 1220 A CA -0.153 51.837 52.037 -0.080 0.000 1.470 1220 A CB -0.383 18.594 19.000 -0.039 0.000 1.028 1220 A HN 0.634 nan 8.150 nan 0.000 0.604 1221 V N 2.691 122.501 119.914 -0.173 0.000 2.427 1221 V HA -0.200 3.923 4.120 0.004 0.000 0.248 1221 V C 2.757 178.836 176.094 -0.025 0.000 1.051 1221 V CA 2.412 64.586 62.300 -0.210 0.000 1.048 1221 V CB -0.955 30.584 31.823 -0.474 0.000 0.666 1221 V HN 0.851 nan 8.190 nan 0.000 0.456 1222 G N 0.390 109.174 108.800 -0.025 0.000 2.491 1222 G HA2 -0.286 3.676 3.960 0.004 0.000 0.218 1222 G HA3 -0.286 3.676 3.960 0.004 0.000 0.218 1222 G C 1.436 176.365 174.900 0.048 0.000 1.180 1222 G CA 1.532 46.645 45.100 0.021 0.000 0.774 1222 G HN 0.469 nan 8.290 nan 0.000 0.562 1223 I N 0.228 120.816 120.570 0.030 0.000 2.113 1223 I HA -0.105 4.068 4.170 0.004 0.000 0.238 1223 I C 2.752 178.891 176.117 0.037 0.000 1.070 1223 I CA 0.543 61.866 61.300 0.037 0.000 1.332 1223 I CB -1.046 36.970 38.000 0.027 0.000 1.044 1223 I HN 0.047 nan 8.210 nan 0.000 0.402 1224 V N 0.718 120.650 119.914 0.032 0.000 2.363 1224 V HA -0.407 3.716 4.120 0.004 0.000 0.254 1224 V C 2.578 178.692 176.094 0.033 0.000 1.074 1224 V CA 2.330 64.654 62.300 0.040 0.000 1.069 1224 V CB -0.798 31.062 31.823 0.061 0.000 0.659 1224 V HN 0.525 nan 8.190 nan 0.000 0.455 1225 A N -0.650 122.250 122.820 0.133 0.000 1.832 1225 A HA -0.008 4.315 4.320 0.004 0.000 0.214 1225 A C 2.468 180.081 177.584 0.048 0.000 1.204 1225 A CA 1.972 54.125 52.037 0.193 0.000 0.606 1225 A CB -1.239 17.952 19.000 0.318 0.000 0.849 1225 A HN 0.802 nan 8.150 nan 0.000 0.445 1226 A N -0.677 122.189 122.820 0.077 0.000 1.971 1226 A HA -0.315 4.008 4.320 0.004 0.000 0.222 1226 A C 2.121 179.717 177.584 0.021 0.000 1.182 1226 A CA 2.137 54.209 52.037 0.059 0.000 0.649 1226 A CB -0.673 18.362 19.000 0.058 0.000 0.818 1226 A HN 0.718 nan 8.150 nan 0.000 0.458 1227 Q N -0.976 118.826 119.800 0.004 0.000 1.994 1227 Q HA -0.112 4.231 4.340 0.004 0.000 0.198 1227 Q C 2.459 178.456 176.000 -0.006 0.000 0.976 1227 Q CA 1.576 57.383 55.803 0.006 0.000 0.828 1227 Q CB -0.335 28.419 28.738 0.027 0.000 0.894 1227 Q HN 0.749 nan 8.270 nan 0.000 0.432 1228 S N 0.461 116.103 115.700 -0.095 0.000 2.462 1228 S HA -0.152 4.321 4.470 0.004 0.000 0.243 1228 S C 1.665 176.255 174.600 -0.017 0.000 1.003 1228 S CA 1.018 59.139 58.200 -0.133 0.000 0.970 1228 S CB -0.314 62.570 63.200 -0.527 0.000 0.762 1228 S HN 0.355 nan 8.310 nan 0.000 0.510 1229 I N 0.113 120.689 120.570 0.009 0.000 3.265 1229 I HA 0.290 4.462 4.170 0.004 0.000 0.282 1229 I C 2.563 178.751 176.117 0.119 0.000 1.207 1229 I CA 0.571 61.920 61.300 0.081 0.000 1.449 1229 I CB -0.454 37.572 38.000 0.043 0.000 1.121 1229 I HN 0.362 nan 8.210 nan 0.000 0.442 1230 G N 0.734 109.563 108.800 0.049 0.000 2.539 1230 G HA2 -0.125 3.837 3.960 0.004 0.000 0.215 1230 G HA3 -0.125 3.837 3.960 0.004 0.000 0.215 1230 G C 1.486 176.394 174.900 0.013 0.000 1.141 1230 G CA 0.286 45.396 45.100 0.016 0.000 0.806 1230 G HN 0.428 nan 8.290 nan 0.000 0.533 1231 E N 1.384 121.602 120.200 0.029 0.000 2.008 1231 E HA -0.046 4.307 4.350 0.004 0.000 0.191 1231 E C -0.342 176.274 176.600 0.028 0.000 0.986 1231 E CA 0.764 57.167 56.400 0.005 0.000 0.807 1231 E CB -0.748 28.968 29.700 0.027 0.000 0.766 1231 E HN 0.229 nan 8.360 nan 0.000 0.450 1232 P HA -0.119 nan 4.420 nan 0.000 0.217 1232 P C 1.361 178.615 177.300 -0.078 0.000 1.148 1232 P CA 2.092 65.228 63.100 0.060 0.000 0.828 1232 P CB -0.455 31.372 31.700 0.211 0.000 0.783 1233 G N -0.455 108.300 108.800 -0.075 0.000 2.480 1233 G HA2 -0.285 3.678 3.960 0.004 0.000 0.216 1233 G HA3 -0.285 3.678 3.960 0.004 0.000 0.216 1233 G C 1.391 176.218 174.900 -0.122 0.000 1.200 1233 G CA 1.795 46.787 45.100 -0.180 0.000 0.782 1233 G HN 0.194 nan 8.290 nan 0.000 0.554 1234 T N 0.651 115.164 114.554 -0.068 0.000 2.848 1234 T HA -0.221 4.132 4.350 0.004 0.000 0.269 1234 T C 2.191 176.869 174.700 -0.036 0.000 1.081 1234 T CA 1.970 64.041 62.100 -0.048 0.000 1.125 1234 T CB -0.157 68.688 68.868 -0.038 0.000 0.848 1234 T HN 0.611 nan 8.240 nan 0.000 0.503 1235 Q N 1.009 120.783 119.800 -0.043 0.000 2.274 1235 Q HA 0.204 4.547 4.340 0.004 0.000 0.198 1235 Q C 1.999 177.980 176.000 -0.032 0.000 0.955 1235 Q CA 0.778 56.568 55.803 -0.021 0.000 0.859 1235 Q CB -0.603 28.131 28.738 -0.007 0.000 0.956 1235 Q HN 0.487 nan 8.270 nan 0.000 0.516 1236 L N 0.076 121.245 121.223 -0.091 0.000 2.209 1236 L HA 0.146 4.489 4.340 0.004 0.000 0.207 1236 L C 2.287 179.105 176.870 -0.087 0.000 1.094 1236 L CA 1.260 56.038 54.840 -0.102 0.000 0.790 1236 L CB -0.777 41.158 42.059 -0.207 0.000 0.932 1236 L HN 0.184 nan 8.230 nan 0.000 0.447 1237 T N -0.291 114.188 114.554 -0.125 0.000 2.977 1237 T HA -0.138 4.214 4.350 0.004 0.000 0.271 1237 T C 1.824 176.558 174.700 0.057 0.000 1.105 1237 T CA 1.272 63.331 62.100 -0.070 0.000 1.116 1237 T CB -0.154 68.644 68.868 -0.117 0.000 0.878 1237 T HN 0.128 nan 8.240 nan 0.000 0.509 1238 M N 0.054 119.703 119.600 0.081 0.000 2.098 1238 M HA 0.120 4.603 4.480 0.004 0.000 0.262 1238 M C 2.284 178.757 176.300 0.290 0.000 1.072 1238 M CA 1.432 56.854 55.300 0.204 0.000 1.133 1238 M CB -0.119 32.590 32.600 0.182 0.000 1.344 1238 M HN -0.035 nan 8.290 nan 0.000 0.414 1239 R N -1.018 119.590 120.500 0.180 0.000 2.093 1239 R HA -0.077 4.266 4.340 0.004 0.000 0.224 1239 R C 1.671 178.042 176.300 0.118 0.000 1.101 1239 R CA 1.732 57.926 56.100 0.157 0.000 0.979 1239 R CB -0.215 30.129 30.300 0.074 0.000 0.877 1239 R HN 0.357 nan 8.270 nan 0.000 0.441 1240 T N 0.754 115.361 114.554 0.089 0.000 2.788 1240 T HA -0.165 4.188 4.350 0.004 0.000 0.268 1240 T C 1.305 176.061 174.700 0.094 0.000 1.044 1240 T CA 1.312 63.453 62.100 0.068 0.000 1.139 1240 T CB -0.341 68.548 68.868 0.035 0.000 0.867 1240 T HN 0.340 nan 8.240 nan 0.000 0.454 1241 F N 1.563 121.509 119.950 -0.005 0.000 2.325 1241 F HA -0.000 4.529 4.527 0.004 0.000 0.299 1241 F C 2.180 177.955 175.800 -0.041 0.000 1.090 1241 F CA 0.884 58.857 58.000 -0.045 0.000 1.392 1241 F CB -0.490 38.448 39.000 -0.104 0.000 1.053 1241 F HN 0.167 nan 8.300 nan 0.000 0.521 1242 H N 0.204 119.013 119.070 -0.435 0.000 2.495 1242 H HA 0.078 4.636 4.556 0.004 0.000 0.287 1242 H C 0.980 176.119 175.328 -0.314 0.000 1.033 1242 H CA 1.386 57.121 56.048 -0.523 0.000 1.307 1242 H CB -0.158 29.475 29.762 -0.215 0.000 1.401 1242 H HN 0.392 nan 8.280 nan 0.000 0.555 1252 I N 1.117 121.699 120.570 0.020 0.000 2.499 1252 I HA -0.339 3.834 4.170 0.004 0.000 0.248 1252 I C 0.783 176.919 176.117 0.031 0.000 0.945 1252 I CA 2.095 63.411 61.300 0.027 0.000 1.309 1252 I CB -1.160 36.858 38.000 0.029 0.000 0.994 1252 I HN 0.447 nan 8.210 nan 0.000 0.434 1253 T N -1.922 112.649 114.554 0.028 0.000 2.971 1253 T HA 0.471 4.824 4.350 0.004 0.000 0.304 1253 T C -0.812 173.909 174.700 0.035 0.000 1.038 1253 T CA -0.795 61.327 62.100 0.037 0.000 1.007 1253 T CB 2.474 71.366 68.868 0.040 0.000 1.055 1253 T HN 0.192 nan 8.240 nan 0.000 0.451 1254 Q N 2.262 122.089 119.800 0.046 0.000 2.303 1254 Q HA 0.611 4.954 4.340 0.004 0.000 0.257 1254 Q C 0.479 176.523 176.000 0.073 0.000 0.941 1254 Q CA -0.505 55.333 55.803 0.057 0.000 0.931 1254 Q CB 0.937 29.709 28.738 0.057 0.000 1.215 1254 Q HN 1.002 nan 8.270 nan 0.000 0.437 1255 G N 2.071 110.930 108.800 0.098 0.000 3.227 1255 G HA2 0.049 4.011 3.960 0.004 0.000 0.171 1255 G HA3 0.049 4.011 3.960 0.004 0.000 0.171 1255 G C 0.513 175.451 174.900 0.063 0.000 1.463 1255 G CA -0.395 44.753 45.100 0.080 0.000 1.016 1255 G HN 0.634 nan 8.290 nan 0.000 0.594 1256 L N 1.597 122.836 121.223 0.026 0.000 2.054 1256 L HA -0.088 4.255 4.340 0.004 0.000 0.220 1256 L C 0.034 176.903 176.870 -0.001 0.000 1.081 1256 L CA 2.486 57.313 54.840 -0.022 0.000 0.780 1256 L CB -1.043 40.972 42.059 -0.073 0.000 0.893 1256 L HN 0.236 nan 8.230 nan 0.000 0.438 1257 P HA -0.220 nan 4.420 nan 0.000 0.217 1257 P C 1.583 178.911 177.300 0.045 0.000 1.151 1257 P CA 1.788 64.907 63.100 0.031 0.000 0.849 1257 P CB -0.102 31.649 31.700 0.085 0.000 0.787 1258 R N -0.380 120.157 120.500 0.062 0.000 2.100 1258 R HA -0.034 4.308 4.340 0.004 0.000 0.220 1258 R C 1.699 178.047 176.300 0.081 0.000 1.091 1258 R CA 0.902 57.042 56.100 0.066 0.000 0.986 1258 R CB -0.443 29.900 30.300 0.071 0.000 0.888 1258 R HN 0.002 nan 8.270 nan 0.000 0.444 1259 V N 1.342 121.309 119.914 0.088 0.000 2.720 1259 V HA -0.205 3.917 4.120 0.004 0.000 0.256 1259 V C 2.228 178.382 176.094 0.101 0.000 1.082 1259 V CA 0.991 63.371 62.300 0.133 0.000 1.101 1259 V CB -0.505 31.378 31.823 0.100 0.000 0.693 1259 V HN 0.278 nan 8.190 nan 0.000 0.479 1260 I N 0.596 121.188 120.570 0.038 0.000 2.233 1260 I HA -0.150 4.023 4.170 0.004 0.000 0.243 1260 I C 2.545 178.708 176.117 0.077 0.000 1.093 1260 I CA 1.600 62.915 61.300 0.026 0.000 1.380 1260 I CB -1.072 36.925 38.000 -0.005 0.000 1.067 1260 I HN 0.437 nan 8.210 nan 0.000 0.413 1261 E N 0.640 120.878 120.200 0.064 0.000 2.265 1261 E HA -0.213 4.140 4.350 0.004 0.000 0.196 1261 E C 2.073 178.700 176.600 0.045 0.000 0.996 1261 E CA 0.989 57.419 56.400 0.049 0.000 0.832 1261 E CB 0.143 29.869 29.700 0.043 0.000 0.756 1261 E HN 0.246 nan 8.360 nan 0.000 0.491 1262 L N -0.946 120.333 121.223 0.093 0.000 2.200 1262 L HA 0.070 4.412 4.340 0.004 0.000 0.200 1262 L C 1.626 178.543 176.870 0.079 0.000 1.072 1262 L CA 1.087 55.961 54.840 0.056 0.000 0.787 1262 L CB -0.403 41.725 42.059 0.114 0.000 0.957 1262 L HN 0.167 nan 8.230 nan 0.000 0.459 1263 F N -0.415 119.506 119.950 -0.048 0.000 2.456 1263 F HA 0.011 4.541 4.527 0.004 0.000 0.298 1263 F C 0.815 176.593 175.800 -0.037 0.000 1.104 1263 F CA 0.320 58.297 58.000 -0.038 0.000 1.435 1263 F CB -0.109 38.875 39.000 -0.026 0.000 1.078 1263 F HN -0.025 nan 8.300 nan 0.000 0.546 1264 E N 0.312 120.593 120.200 0.136 0.000 2.101 1264 E HA 0.471 4.823 4.350 0.004 0.000 0.260 1264 E C -0.300 176.299 176.600 -0.002 0.000 0.897 1264 E CA -0.381 56.051 56.400 0.053 0.000 0.744 1264 E CB 0.860 30.588 29.700 0.048 0.000 1.140 1264 E HN 0.103 nan 8.360 nan 0.000 0.419 1265 A N 4.780 127.564 122.820 -0.059 0.000 2.563 1265 A HA 0.113 4.435 4.320 0.004 0.000 0.256 1265 A C 0.291 177.811 177.584 -0.108 0.000 1.056 1265 A CA 0.680 52.629 52.037 -0.147 0.000 0.775 1265 A CB 0.071 18.876 19.000 -0.326 0.000 0.973 1265 A HN 0.524 nan 8.150 nan 0.000 0.516 1266 R N 1.206 121.667 120.500 -0.065 0.000 2.870 1266 R HA 0.482 4.824 4.340 0.004 0.000 0.262 1266 R C -0.879 175.427 176.300 0.010 0.000 1.112 1266 R CA -0.936 55.156 56.100 -0.013 0.000 0.976 1266 R CB 1.490 31.796 30.300 0.010 0.000 1.261 1266 R HN 0.780 nan 8.270 nan 0.000 0.453 1267 R N 1.629 122.147 120.500 0.029 0.000 2.275 1267 R HA 0.365 4.708 4.340 0.004 0.000 0.326 1267 R C -2.191 174.132 176.300 0.038 0.000 0.973 1267 R CA -1.594 54.530 56.100 0.039 0.000 0.854 1267 R CB 1.444 31.770 30.300 0.044 0.000 1.156 1267 R HN 0.320 nan 8.270 nan 0.000 0.487 1268 P HA 0.077 nan 4.420 nan 0.000 0.272 1268 P C 0.356 177.679 177.300 0.038 0.000 1.240 1268 P CA -0.477 62.648 63.100 0.042 0.000 0.791 1268 P CB 0.998 32.727 31.700 0.049 0.000 0.978 1269 K N 0.644 121.067 120.400 0.038 0.000 1.975 1269 K HA -0.034 4.289 4.320 0.004 0.000 0.224 1269 K C 0.715 177.333 176.600 0.029 0.000 1.038 1269 K CA 1.389 57.697 56.287 0.033 0.000 1.009 1269 K CB -0.837 31.683 32.500 0.035 0.000 0.750 1269 K HN 0.528 nan 8.250 nan 0.000 0.445 1270 A N 2.933 125.769 122.820 0.027 0.000 2.544 1270 A HA 0.063 4.385 4.320 0.004 0.000 0.301 1270 A C -0.083 177.513 177.584 0.021 0.000 1.368 1270 A CA 0.120 52.170 52.037 0.022 0.000 1.045 1270 A CB -0.215 18.796 19.000 0.019 0.000 1.129 1270 A HN 0.247 nan 8.150 nan 0.000 0.540 1271 K N 1.737 122.147 120.400 0.018 0.000 2.154 1271 K HA 0.559 4.882 4.320 0.004 0.000 0.264 1271 K C -0.252 176.344 176.600 -0.007 0.000 1.008 1271 K CA -0.092 56.202 56.287 0.013 0.000 0.937 1271 K CB 0.911 33.421 32.500 0.017 0.000 1.002 1271 K HN 0.659 nan 8.250 nan 0.000 0.469 1272 A N 3.067 125.871 122.820 -0.026 0.000 2.311 1272 A HA 0.273 4.595 4.320 0.004 0.000 0.306 1272 A C -0.531 176.974 177.584 -0.132 0.000 1.189 1272 A CA -0.843 51.155 52.037 -0.065 0.000 0.791 1272 A CB 0.760 19.726 19.000 -0.058 0.000 1.172 1272 A HN 0.582 nan 8.150 nan 0.000 0.481 1273 V N 3.353 123.154 119.914 -0.188 0.000 2.434 1273 V HA 0.348 4.470 4.120 0.004 0.000 0.281 1273 V C 0.425 176.161 176.094 -0.597 0.000 1.005 1273 V CA 0.007 62.063 62.300 -0.406 0.000 1.089 1273 V CB -1.169 30.381 31.823 -0.455 0.000 0.978 1273 V HN 0.809 nan 8.190 nan 0.000 0.474 1274 I N 3.705 123.957 120.570 -0.531 0.000 2.886 1274 I HA 0.621 4.793 4.170 0.004 0.000 0.299 1274 I C 0.636 176.403 176.117 -0.582 0.000 1.044 1274 I CA -0.262 60.784 61.300 -0.423 0.000 1.310 1274 I CB 1.541 39.407 38.000 -0.223 0.000 1.441 1274 I HN 0.729 nan 8.210 nan 0.000 0.578 1275 S N 2.293 117.804 115.700 -0.315 0.000 2.473 1275 S HA 0.258 4.731 4.470 0.004 0.000 0.312 1275 S C 0.506 175.078 174.600 -0.046 0.000 1.087 1275 S CA -0.622 57.483 58.200 -0.159 0.000 1.077 1275 S CB 0.836 63.961 63.200 -0.125 0.000 1.065 1275 S HN 0.797 nan 8.310 nan 0.000 0.510 1276 E N 1.922 122.166 120.200 0.074 0.000 2.209 1276 E HA -0.038 4.314 4.350 0.004 0.000 0.196 1276 E C 0.069 176.649 176.600 -0.033 0.000 0.993 1276 E CA 0.858 57.274 56.400 0.027 0.000 0.819 1276 E CB 0.055 29.778 29.700 0.039 0.000 0.745 1276 E HN 0.712 nan 8.360 nan 0.000 0.477 1277 I N 1.479 122.005 120.570 -0.073 0.000 2.525 1277 I HA 0.088 4.261 4.170 0.004 0.000 0.301 1277 I C -0.554 175.506 176.117 -0.094 0.000 0.992 1277 I CA -0.837 60.407 61.300 -0.095 0.000 1.162 1277 I CB 1.505 39.360 38.000 -0.241 0.000 1.332 1277 I HN -0.079 nan 8.210 nan 0.000 0.458 1278 D N 4.838 125.183 120.400 -0.093 0.000 2.473 1278 D HA 0.369 5.011 4.640 0.004 0.000 0.226 1278 D C 0.105 176.190 176.300 -0.358 0.000 1.089 1278 D CA -0.368 53.500 54.000 -0.221 0.000 0.883 1278 D CB 1.758 42.459 40.800 -0.164 0.000 1.029 1278 D HN 0.709 nan 8.370 nan 0.000 0.517 1279 G N 1.196 109.752 108.800 -0.407 0.000 2.673 1279 G HA2 0.467 4.429 3.960 0.004 0.000 0.185 1279 G HA3 0.467 4.429 3.960 0.004 0.000 0.185 1279 G C -0.443 174.194 174.900 -0.439 0.000 1.731 1279 G CA 0.021 44.891 45.100 -0.383 0.000 0.788 1279 G HN 0.381 nan 8.290 nan 0.000 0.793 1280 V N -0.919 118.902 119.914 -0.156 0.000 3.203 1280 V HA 0.658 4.781 4.120 0.004 0.000 0.305 1280 V C -0.918 175.175 176.094 -0.002 0.000 1.361 1280 V CA -0.626 61.648 62.300 -0.044 0.000 1.066 1280 V CB 1.963 33.814 31.823 0.047 0.000 1.085 1280 V HN 0.315 nan 8.190 nan 0.000 0.456 1281 V N 1.114 121.047 119.914 0.030 0.000 2.769 1281 V HA 0.824 4.946 4.120 0.004 0.000 0.312 1281 V C -0.585 175.549 176.094 0.068 0.000 1.058 1281 V CA -0.637 61.697 62.300 0.056 0.000 0.952 1281 V CB 2.071 33.918 31.823 0.041 0.000 1.019 1281 V HN 0.823 nan 8.190 nan 0.000 0.445 1282 R N 2.147 122.707 120.500 0.100 0.000 2.584 1282 R HA 0.747 5.090 4.340 0.004 0.000 0.276 1282 R C -1.817 174.536 176.300 0.089 0.000 1.046 1282 R CA -0.398 55.743 56.100 0.068 0.000 0.906 1282 R CB 1.641 31.961 30.300 0.033 0.000 1.215 1282 R HN 0.583 nan 8.270 nan 0.000 0.449 1283 I N 0.713 121.310 120.570 0.046 0.000 2.846 1283 I HA 0.549 4.721 4.170 0.004 0.000 0.307 1283 I C 0.015 176.136 176.117 0.006 0.000 1.053 1283 I CA -0.708 60.626 61.300 0.056 0.000 1.050 1283 I CB 1.888 39.919 38.000 0.052 0.000 1.239 1283 I HN 0.324 nan 8.210 nan 0.000 0.439 1284 E N 2.393 122.601 120.200 0.013 0.000 2.320 1284 E HA 0.276 4.628 4.350 0.004 0.000 0.264 1284 E C -0.041 176.561 176.600 0.004 0.000 0.923 1284 E CA -0.272 56.117 56.400 -0.018 0.000 0.796 1284 E CB 2.021 31.691 29.700 -0.051 0.000 1.262 1284 E HN 0.720 nan 8.360 nan 0.000 0.428 1285 E N 1.151 121.348 120.200 -0.006 0.000 2.307 1285 E HA -0.007 4.346 4.350 0.004 0.000 0.195 1285 E C 0.291 176.893 176.600 0.003 0.000 0.975 1285 E CA 0.216 56.616 56.400 0.000 0.000 0.878 1285 E CB 0.051 29.748 29.700 -0.005 0.000 0.845 1285 E HN 0.348 nan 8.360 nan 0.000 0.488 1286 T N 1.760 116.314 114.554 0.000 0.000 2.923 1286 T HA -0.109 4.244 4.350 0.004 0.000 0.320 1286 T C 0.864 175.570 174.700 0.010 0.000 1.074 1286 T CA 0.703 62.805 62.100 0.003 0.000 1.131 1286 T CB 0.520 69.390 68.868 0.002 0.000 1.058 1286 T HN 0.223 nan 8.240 nan 0.000 0.535 1287 E N 2.519 122.724 120.200 0.008 0.000 2.041 1287 E HA -0.273 4.080 4.350 0.004 0.000 0.227 1287 E C 1.820 178.428 176.600 0.014 0.000 1.039 1287 E CA 2.026 58.432 56.400 0.010 0.000 0.904 1287 E CB -0.279 29.426 29.700 0.008 0.000 0.808 1287 E HN 0.827 nan 8.360 nan 0.000 0.510 1288 E N 1.194 121.403 120.200 0.015 0.000 1.995 1288 E HA -0.158 4.194 4.350 0.004 0.000 0.207 1288 E C 0.083 176.697 176.600 0.024 0.000 1.016 1288 E CA 1.291 57.702 56.400 0.018 0.000 0.865 1288 E CB 0.137 29.848 29.700 0.018 0.000 0.797 1288 E HN -0.022 nan 8.360 nan 0.000 0.491 1289 K N 0.291 120.709 120.400 0.031 0.000 2.221 1289 K HA 0.360 4.683 4.320 0.004 0.000 0.258 1289 K C -0.544 176.087 176.600 0.053 0.000 0.944 1289 K CA -0.447 55.864 56.287 0.040 0.000 0.823 1289 K CB 1.863 34.389 32.500 0.044 0.000 1.113 1289 K HN 0.092 nan 8.250 nan 0.000 0.431 1290 L N 1.087 122.344 121.223 0.057 0.000 2.470 1290 L HA 0.325 4.668 4.340 0.004 0.000 0.243 1290 L C 0.034 176.974 176.870 0.117 0.000 1.227 1290 L CA 0.034 54.917 54.840 0.071 0.000 0.824 1290 L CB 0.814 42.908 42.059 0.059 0.000 1.175 1290 L HN 0.798 nan 8.230 nan 0.000 0.503 1291 S N -0.716 115.081 115.700 0.161 0.000 2.616 1291 S HA 0.428 4.900 4.470 0.004 0.000 0.276 1291 S C -1.161 173.663 174.600 0.373 0.000 1.159 1291 S CA -0.940 57.437 58.200 0.295 0.000 1.000 1291 S CB 0.917 64.413 63.200 0.493 0.000 1.117 1291 S HN 0.161 nan 8.310 nan 0.000 0.464 1292 V N 4.183 124.271 119.914 0.290 0.000 2.370 1292 V HA 0.597 4.720 4.120 0.004 0.000 0.279 1292 V C -1.060 175.222 176.094 0.314 0.000 1.029 1292 V CA -0.268 62.193 62.300 0.269 0.000 0.870 1292 V CB 0.465 32.354 31.823 0.110 0.000 0.984 1292 V HN 0.823 nan 8.190 nan 0.000 0.451 1293 F N 3.524 123.512 119.950 0.063 0.000 2.482 1293 F HA 0.540 5.069 4.527 0.004 0.000 0.331 1293 F C 0.123 175.942 175.800 0.031 0.000 1.115 1293 F CA -1.017 57.016 58.000 0.055 0.000 0.955 1293 F CB 2.103 41.105 39.000 0.003 0.000 1.136 1293 F HN 0.242 nan 8.300 nan 0.000 0.452 1294 V N 3.319 123.320 119.914 0.145 0.000 2.339 1294 V HA 0.381 4.503 4.120 0.004 0.000 0.261 1294 V C -0.136 175.970 176.094 0.021 0.000 1.058 1294 V CA -0.483 61.846 62.300 0.048 0.000 0.897 1294 V CB 0.042 31.866 31.823 0.001 0.000 1.052 1294 V HN 0.762 nan 8.190 nan 0.000 0.480 1295 E N 3.753 123.982 120.200 0.049 0.000 2.392 1295 E HA 0.768 5.121 4.350 0.004 0.000 0.269 1295 E C -1.142 175.495 176.600 0.062 0.000 0.924 1295 E CA -0.759 55.680 56.400 0.064 0.000 0.784 1295 E CB 2.573 32.341 29.700 0.113 0.000 1.292 1295 E HN 0.503 nan 8.360 nan 0.000 0.447 1296 S N 0.370 116.141 115.700 0.119 0.000 2.632 1296 S HA 0.249 4.722 4.470 0.004 0.000 0.289 1296 S C 0.394 175.068 174.600 0.123 0.000 1.115 1296 S CA -0.849 57.429 58.200 0.129 0.000 0.889 1296 S CB 1.650 64.961 63.200 0.185 0.000 1.116 1296 S HN 0.701 nan 8.310 nan 0.000 0.486 1297 E N 0.412 120.664 120.200 0.087 0.000 2.510 1297 E HA 0.009 4.362 4.350 0.004 0.000 0.202 1297 E C 1.471 178.113 176.600 0.070 0.000 1.072 1297 E CA 0.949 57.389 56.400 0.066 0.000 0.883 1297 E CB -0.428 29.298 29.700 0.043 0.000 0.818 1297 E HN 0.796 nan 8.360 nan 0.000 0.548 1298 G N 0.031 108.892 108.800 0.101 0.000 2.662 1298 G HA2 0.144 4.107 3.960 0.004 0.000 0.207 1298 G HA3 0.144 4.107 3.960 0.004 0.000 0.207 1298 G C 0.265 175.284 174.900 0.200 0.000 1.154 1298 G CA 0.205 45.346 45.100 0.069 0.000 0.837 1298 G HN 0.304 nan 8.290 nan 0.000 0.580 1299 F N -0.097 119.861 119.950 0.013 0.000 2.703 1299 F HA 0.637 5.167 4.527 0.004 0.000 0.308 1299 F C -1.056 174.767 175.800 0.039 0.000 1.126 1299 F CA -1.264 56.749 58.000 0.021 0.000 0.959 1299 F CB 1.472 40.475 39.000 0.005 0.000 1.297 1299 F HN 0.104 nan 8.300 nan 0.000 0.441 1300 S N 1.562 117.270 115.700 0.014 0.000 2.513 1300 S HA 0.556 5.029 4.470 0.004 0.000 0.299 1300 S C -1.150 173.288 174.600 -0.271 0.000 1.087 1300 S CA -0.957 57.212 58.200 -0.053 0.000 1.012 1300 S CB 2.032 65.406 63.200 0.291 0.000 1.044 1300 S HN 0.682 nan 8.310 nan 0.000 0.485 1301 K N 2.269 122.445 120.400 -0.373 0.000 2.257 1301 K HA 0.208 4.531 4.320 0.004 0.000 0.270 1301 K C -0.029 176.035 176.600 -0.893 0.000 1.098 1301 K CA -0.361 55.588 56.287 -0.563 0.000 0.943 1301 K CB 0.196 32.432 32.500 -0.440 0.000 1.316 1301 K HN 0.694 nan 8.250 nan 0.000 0.447 1302 E N 3.403 123.003 120.200 -1.000 0.000 2.585 1302 E HA -0.153 4.200 4.350 0.004 0.000 0.252 1302 E C -1.083 174.747 176.600 -1.282 0.000 0.981 1302 E CA 0.707 56.204 56.400 -1.506 0.000 0.943 1302 E CB 0.227 29.559 29.700 -0.614 0.000 0.923 1302 E HN 0.451 nan 8.360 nan 0.000 0.486 1303 Y N 3.895 123.682 120.300 -0.854 0.000 2.363 1303 Y HA 0.218 4.771 4.550 0.004 0.000 0.325 1303 Y C 0.397 176.174 175.900 -0.205 0.000 0.984 1303 Y CA -0.820 57.053 58.100 -0.378 0.000 1.248 1303 Y CB 1.299 39.590 38.460 -0.282 0.000 1.116 1303 Y HN 0.174 nan 8.280 nan 0.000 0.470 1304 K N 5.234 125.627 120.400 -0.012 0.000 2.363 1304 K HA 0.233 4.556 4.320 0.004 0.000 0.289 1304 K C -0.724 175.914 176.600 0.064 0.000 1.063 1304 K CA 0.155 56.463 56.287 0.034 0.000 0.967 1304 K CB 0.439 32.947 32.500 0.012 0.000 0.987 1304 K HN 0.615 nan 8.250 nan 0.000 0.473 1305 L N 6.821 128.086 121.223 0.070 0.000 2.371 1305 L HA 0.268 4.611 4.340 0.004 0.000 0.262 1305 L C -2.162 174.735 176.870 0.046 0.000 1.054 1305 L CA -2.116 52.757 54.840 0.055 0.000 0.924 1305 L CB 0.931 43.024 42.059 0.056 0.000 1.295 1305 L HN 0.296 nan 8.230 nan 0.000 0.441 1306 P HA -0.068 nan 4.420 nan 0.000 0.273 1306 P C 0.717 178.034 177.300 0.027 0.000 1.252 1306 P CA -0.214 62.905 63.100 0.031 0.000 0.809 1306 P CB 0.497 32.213 31.700 0.026 0.000 1.017 1307 K N 0.714 121.128 120.400 0.023 0.000 2.281 1307 K HA -0.188 4.135 4.320 0.004 0.000 0.203 1307 K C 0.868 177.478 176.600 0.017 0.000 1.046 1307 K CA 1.933 58.231 56.287 0.020 0.000 0.938 1307 K CB -0.642 31.869 32.500 0.017 0.000 0.737 1307 K HN 0.389 nan 8.250 nan 0.000 0.458 1308 E N 0.971 121.181 120.200 0.017 0.000 2.442 1308 E HA 0.133 4.486 4.350 0.004 0.000 0.195 1308 E C 0.296 176.904 176.600 0.013 0.000 1.030 1308 E CA 0.377 56.785 56.400 0.014 0.000 0.869 1308 E CB 0.360 30.068 29.700 0.014 0.000 0.857 1308 E HN 0.417 nan 8.360 nan 0.000 0.505 1309 A N 2.191 125.020 122.820 0.015 0.000 2.301 1309 A HA 0.497 4.820 4.320 0.004 0.000 0.312 1309 A C -0.138 177.453 177.584 0.012 0.000 1.182 1309 A CA -0.810 51.234 52.037 0.012 0.000 0.826 1309 A CB 0.449 19.456 19.000 0.012 0.000 1.134 1309 A HN 0.102 nan 8.150 nan 0.000 0.501 1310 R N 2.662 123.167 120.500 0.007 0.000 2.393 1310 R HA 0.583 4.926 4.340 0.004 0.000 0.310 1310 R C -1.254 175.048 176.300 0.004 0.000 0.968 1310 R CA -0.479 55.625 56.100 0.007 0.000 0.867 1310 R CB 0.438 30.741 30.300 0.006 0.000 1.124 1310 R HN 0.675 nan 8.270 nan 0.000 0.450 1311 L N 1.007 122.235 121.223 0.008 0.000 2.295 1311 L HA 0.501 4.844 4.340 0.004 0.000 0.285 1311 L C 0.383 177.256 176.870 0.006 0.000 1.035 1311 L CA -0.861 53.983 54.840 0.005 0.000 0.806 1311 L CB 1.452 43.521 42.059 0.017 0.000 1.214 1311 L HN 0.655 nan 8.230 nan 0.000 0.426 1312 L N 2.925 124.148 121.223 0.001 0.000 2.575 1312 L HA 0.348 4.691 4.340 0.004 0.000 0.228 1312 L C 0.690 177.564 176.870 0.007 0.000 1.075 1312 L CA 0.117 54.959 54.840 0.004 0.000 0.867 1312 L CB 1.085 43.145 42.059 0.002 0.000 1.097 1312 L HN 0.599 nan 8.230 nan 0.000 0.485 1313 V N 2.391 122.308 119.914 0.004 0.000 2.637 1313 V HA 0.115 4.238 4.120 0.004 0.000 0.296 1313 V C 0.025 176.131 176.094 0.020 0.000 1.046 1313 V CA -0.327 61.980 62.300 0.011 0.000 1.066 1313 V CB 0.574 32.400 31.823 0.004 0.000 0.968 1313 V HN 0.397 nan 8.190 nan 0.000 0.483 1314 K N 3.736 124.150 120.400 0.023 0.000 2.123 1314 K HA 0.529 4.851 4.320 0.004 0.000 0.248 1314 K C -0.800 175.818 176.600 0.029 0.000 0.969 1314 K CA -0.834 55.468 56.287 0.024 0.000 0.882 1314 K CB 1.156 33.668 32.500 0.020 0.000 1.080 1314 K HN 0.554 nan 8.250 nan 0.000 0.441 1315 D N 0.811 121.227 120.400 0.026 0.000 2.383 1315 D HA 0.194 4.837 4.640 0.004 0.000 0.275 1315 D C 0.782 177.098 176.300 0.027 0.000 1.344 1315 D CA 1.170 55.185 54.000 0.025 0.000 0.984 1315 D CB 0.421 41.230 40.800 0.015 0.000 1.104 1315 D HN 0.891 nan 8.370 nan 0.000 0.524 1316 G N 2.346 111.168 108.800 0.036 0.000 4.386 1316 G HA2 -0.160 3.803 3.960 0.004 0.000 0.185 1316 G HA3 -0.160 3.803 3.960 0.004 0.000 0.185 1316 G C -0.195 174.741 174.900 0.059 0.000 1.725 1316 G CA -0.559 44.565 45.100 0.040 0.000 0.941 1316 G HN 0.474 nan 8.290 nan 0.000 0.315 1317 D N -0.067 120.371 120.400 0.065 0.000 2.277 1317 D HA 0.489 5.131 4.640 0.004 0.000 0.250 1317 D C -0.445 175.935 176.300 0.133 0.000 1.032 1317 D CA -0.473 53.586 54.000 0.098 0.000 0.947 1317 D CB 1.578 42.425 40.800 0.078 0.000 1.159 1317 D HN 0.112 nan 8.370 nan 0.000 0.460 1318 Y N 0.646 120.953 120.300 0.012 0.000 2.890 1318 Y HA 0.002 4.555 4.550 0.004 0.000 0.341 1318 Y C 0.176 176.079 175.900 0.006 0.000 1.269 1318 Y CA 0.532 58.639 58.100 0.012 0.000 1.517 1318 Y CB 0.422 38.887 38.460 0.009 0.000 1.314 1318 Y HN 0.016 nan 8.280 nan 0.000 0.622 1319 V N 3.010 122.861 119.914 -0.105 0.000 2.509 1319 V HA 0.389 4.511 4.120 0.004 0.000 0.289 1319 V C -0.588 175.410 176.094 -0.160 0.000 1.026 1319 V CA -1.218 61.035 62.300 -0.077 0.000 0.872 1319 V CB 1.177 32.957 31.823 -0.072 0.000 1.017 1319 V HN 0.733 nan 8.190 nan 0.000 0.436 1320 E N 3.078 123.246 120.200 -0.053 0.000 2.425 1320 E HA 0.572 4.924 4.350 0.004 0.000 0.258 1320 E C 0.843 177.398 176.600 -0.075 0.000 1.151 1320 E CA 0.577 56.948 56.400 -0.050 0.000 0.958 1320 E CB 0.908 30.632 29.700 0.040 0.000 0.968 1320 E HN 1.194 nan 8.360 nan 0.000 0.451 1321 A N 1.514 124.297 122.820 -0.061 0.000 2.546 1321 A HA 0.404 4.726 4.320 0.004 0.000 0.243 1321 A C 1.083 178.625 177.584 -0.070 0.000 1.063 1321 A CA 0.581 52.583 52.037 -0.058 0.000 0.757 1321 A CB -0.744 18.237 19.000 -0.033 0.000 0.991 1321 A HN 0.937 nan 8.150 nan 0.000 0.503 1322 G N 1.065 109.812 108.800 -0.088 0.000 2.147 1322 G HA2 -0.239 3.724 3.960 0.004 0.000 0.244 1322 G HA3 -0.239 3.724 3.960 0.004 0.000 0.244 1322 G C 0.171 174.986 174.900 -0.141 0.000 1.005 1322 G CA 0.650 45.680 45.100 -0.117 0.000 0.713 1322 G HN 1.507 nan 8.290 nan 0.000 0.515 1323 Q N 0.371 120.095 119.800 -0.126 0.000 2.261 1323 Q HA 0.603 4.946 4.340 0.004 0.000 0.252 1323 Q C -2.503 173.417 176.000 -0.132 0.000 0.915 1323 Q CA -1.966 53.770 55.803 -0.111 0.000 0.915 1323 Q CB 1.154 29.845 28.738 -0.078 0.000 1.204 1323 Q HN 0.166 nan 8.270 nan 0.000 0.421 1324 P HA -0.059 nan 4.420 nan 0.000 0.261 1324 P C -0.722 176.514 177.300 -0.108 0.000 1.203 1324 P CA 0.235 63.270 63.100 -0.110 0.000 0.767 1324 P CB 0.541 32.199 31.700 -0.071 0.000 0.785 1325 L N 2.739 123.868 121.223 -0.156 0.000 2.638 1325 L HA 0.205 4.548 4.340 0.004 0.000 0.232 1325 L C 0.731 177.536 176.870 -0.108 0.000 1.099 1325 L CA 1.295 56.049 54.840 -0.144 0.000 0.883 1325 L CB 0.085 41.997 42.059 -0.245 0.000 1.136 1325 L HN 0.270 nan 8.230 nan 0.000 0.492 1326 T N -0.259 114.228 114.554 -0.112 0.000 2.916 1326 T HA 0.476 4.828 4.350 0.004 0.000 0.292 1326 T C -0.245 174.427 174.700 -0.046 0.000 1.055 1326 T CA -0.748 61.310 62.100 -0.069 0.000 1.009 1326 T CB 2.155 70.978 68.868 -0.075 0.000 1.118 1326 T HN -0.174 nan 8.240 nan 0.000 0.497 1327 R N 1.318 121.804 120.500 -0.024 0.000 2.229 1327 R HA 0.669 5.011 4.340 0.004 0.000 0.328 1327 R C 0.543 176.840 176.300 -0.005 0.000 1.009 1327 R CA -0.072 56.021 56.100 -0.012 0.000 0.864 1327 R CB 0.917 31.214 30.300 -0.004 0.000 1.085 1327 R HN 1.035 nan 8.270 nan 0.000 0.453 1328 G N 1.310 110.111 108.800 0.001 0.000 2.286 1328 G HA2 0.083 4.046 3.960 0.004 0.000 0.118 1328 G HA3 0.083 4.046 3.960 0.004 0.000 0.118 1328 G C -1.407 173.509 174.900 0.027 0.000 1.267 1328 G CA -0.222 44.886 45.100 0.015 0.000 1.171 1328 G HN 0.690 nan 8.290 nan 0.000 0.465 1329 A N -0.419 122.422 122.820 0.035 0.000 2.271 1329 A HA 0.892 5.215 4.320 0.004 0.000 0.288 1329 A C -0.021 177.595 177.584 0.053 0.000 1.094 1329 A CA -0.101 51.972 52.037 0.061 0.000 0.828 1329 A CB 0.442 19.479 19.000 0.061 0.000 1.091 1329 A HN 1.071 nan 8.150 nan 0.000 0.493 1330 I N -0.791 119.839 120.570 0.100 0.000 3.343 1330 I HA 0.376 4.549 4.170 0.004 0.000 0.315 1330 I C -1.279 174.923 176.117 0.141 0.000 1.153 1330 I CA -0.724 60.622 61.300 0.078 0.000 0.952 1330 I CB 2.405 40.411 38.000 0.010 0.000 1.287 1330 I HN 0.695 nan 8.210 nan 0.000 0.472 1331 D N 1.521 121.987 120.400 0.110 0.000 2.498 1331 D HA 0.416 5.058 4.640 0.004 0.000 0.247 1331 D C -2.320 174.071 176.300 0.151 0.000 1.070 1331 D CA -2.226 51.846 54.000 0.120 0.000 0.842 1331 D CB 2.743 43.592 40.800 0.081 0.000 1.361 1331 D HN 0.017 nan 8.370 nan 0.000 0.484 1332 P HA -0.105 nan 4.420 nan 0.000 0.214 1332 P C 1.115 178.498 177.300 0.139 0.000 1.162 1332 P CA 1.008 64.204 63.100 0.161 0.000 0.874 1332 P CB 0.128 31.859 31.700 0.052 0.000 0.784 1333 H N 0.116 119.232 119.070 0.077 0.000 2.267 1333 H HA -0.191 4.368 4.556 0.004 0.000 0.291 1333 H C 2.032 177.386 175.328 0.043 0.000 1.094 1333 H CA 1.826 57.908 56.048 0.056 0.000 1.227 1333 H CB -0.941 28.849 29.762 0.048 0.000 1.351 1333 H HN 0.250 nan 8.280 nan 0.000 0.483 1334 Q N -0.456 119.454 119.800 0.182 0.000 2.084 1334 Q HA -0.117 4.225 4.340 0.004 0.000 0.202 1334 Q C 2.450 178.483 176.000 0.055 0.000 0.978 1334 Q CA 1.216 57.074 55.803 0.092 0.000 0.844 1334 Q CB -0.207 28.571 28.738 0.067 0.000 0.898 1334 Q HN 0.219 nan 8.270 nan 0.000 0.426 1335 L N 0.553 121.805 121.223 0.048 0.000 2.083 1335 L HA -0.124 4.218 4.340 0.004 0.000 0.209 1335 L C 1.957 178.847 176.870 0.032 0.000 1.083 1335 L CA 1.355 56.198 54.840 0.004 0.000 0.752 1335 L CB -0.585 41.454 42.059 -0.033 0.000 0.899 1335 L HN 0.281 nan 8.230 nan 0.000 0.433 1336 L N -0.628 120.641 121.223 0.077 0.000 2.017 1336 L HA -0.170 4.173 4.340 0.004 0.000 0.208 1336 L C 2.305 179.206 176.870 0.051 0.000 1.073 1336 L CA 1.713 56.600 54.840 0.078 0.000 0.745 1336 L CB -0.670 41.464 42.059 0.124 0.000 0.894 1336 L HN 0.210 nan 8.230 nan 0.000 0.432 1337 E N 0.224 120.453 120.200 0.049 0.000 2.051 1337 E HA -0.139 4.214 4.350 0.004 0.000 0.192 1337 E C 2.136 178.745 176.600 0.015 0.000 0.991 1337 E CA 1.699 58.115 56.400 0.026 0.000 0.799 1337 E CB -0.634 29.080 29.700 0.024 0.000 0.748 1337 E HN 0.668 nan 8.360 nan 0.000 0.449 1338 A N 0.319 123.147 122.820 0.013 0.000 1.835 1338 A HA -0.052 4.271 4.320 0.004 0.000 0.213 1338 A C 1.960 179.542 177.584 -0.003 0.000 1.210 1338 A CA 1.381 53.419 52.037 0.003 0.000 0.605 1338 A CB -0.206 18.789 19.000 -0.008 0.000 0.860 1338 A HN 0.067 nan 8.150 nan 0.000 0.447 1339 K N -1.516 118.879 120.400 -0.008 0.000 2.356 1339 K HA 0.333 4.655 4.320 0.004 0.000 0.195 1339 K C 0.421 177.020 176.600 -0.002 0.000 1.037 1339 K CA 0.530 56.810 56.287 -0.010 0.000 1.014 1339 K CB 0.282 32.766 32.500 -0.026 0.000 0.815 1339 K HN 0.732 nan 8.250 nan 0.000 0.507 1340 G N 0.330 109.135 108.800 0.007 0.000 2.515 1340 G HA2 -0.136 3.827 3.960 0.004 0.000 0.686 1340 G HA3 -0.136 3.827 3.960 0.004 0.000 0.686 1340 G C -2.707 172.210 174.900 0.029 0.000 1.274 1340 G CA -1.022 44.085 45.100 0.012 0.000 0.874 1340 G HN -0.218 nan 8.290 nan 0.000 0.631 1341 P HA -0.040 nan 4.420 nan 0.000 0.211 1341 P C 1.637 178.963 177.300 0.044 0.000 1.179 1341 P CA 2.097 65.232 63.100 0.058 0.000 0.910 1341 P CB -0.016 31.728 31.700 0.073 0.000 0.785 1342 E N -0.035 120.181 120.200 0.027 0.000 2.236 1342 E HA -0.248 4.105 4.350 0.004 0.000 0.205 1342 E C 1.906 178.518 176.600 0.019 0.000 1.028 1342 E CA 1.970 58.376 56.400 0.011 0.000 0.827 1342 E CB -1.580 28.114 29.700 -0.010 0.000 0.735 1342 E HN 0.278 nan 8.360 nan 0.000 0.470 1343 A N 0.641 123.476 122.820 0.026 0.000 1.843 1343 A HA -0.078 4.244 4.320 0.004 0.000 0.213 1343 A C 2.508 180.140 177.584 0.079 0.000 1.202 1343 A CA 1.489 53.547 52.037 0.034 0.000 0.607 1343 A CB -0.860 18.148 19.000 0.013 0.000 0.847 1343 A HN 0.142 nan 8.150 nan 0.000 0.445 1344 V N 0.077 120.045 119.914 0.089 0.000 2.231 1344 V HA -0.367 3.755 4.120 0.004 0.000 0.248 1344 V C 2.201 178.353 176.094 0.098 0.000 1.054 1344 V CA 2.476 64.857 62.300 0.135 0.000 1.015 1344 V CB -1.653 30.234 31.823 0.107 0.000 0.638 1344 V HN 0.637 nan 8.190 nan 0.000 0.444 1345 E N 0.370 120.597 120.200 0.045 0.000 2.068 1345 E HA -0.362 3.991 4.350 0.004 0.000 0.207 1345 E C 2.379 178.981 176.600 0.003 0.000 1.032 1345 E CA 2.232 58.633 56.400 0.001 0.000 0.839 1345 E CB -0.352 29.348 29.700 0.000 0.000 0.758 1345 E HN 0.526 nan 8.360 nan 0.000 0.457 1346 R N 0.068 120.589 120.500 0.034 0.000 2.103 1346 R HA -0.232 4.110 4.340 0.004 0.000 0.242 1346 R C 2.340 178.700 176.300 0.100 0.000 1.142 1346 R CA 1.623 57.751 56.100 0.046 0.000 0.960 1346 R CB -0.611 29.716 30.300 0.046 0.000 0.858 1346 R HN 0.278 nan 8.270 nan 0.000 0.439 1347 Y N 0.440 120.726 120.300 -0.024 0.000 2.114 1347 Y HA -0.201 4.352 4.550 0.004 0.000 0.284 1347 Y C 1.715 177.597 175.900 -0.029 0.000 1.143 1347 Y CA 1.432 59.520 58.100 -0.019 0.000 1.135 1347 Y CB -0.602 37.849 38.460 -0.015 0.000 0.980 1347 Y HN 0.025 nan 8.280 nan 0.000 0.499 1348 L N -0.451 120.673 121.223 -0.165 0.000 1.956 1348 L HA -0.256 4.087 4.340 0.004 0.000 0.216 1348 L C 2.645 179.369 176.870 -0.243 0.000 1.073 1348 L CA 1.909 56.551 54.840 -0.329 0.000 0.762 1348 L CB -1.856 40.034 42.059 -0.282 0.000 0.889 1348 L HN 0.190 nan 8.230 nan 0.000 0.433 1349 V N -0.034 119.783 119.914 -0.161 0.000 2.223 1349 V HA -0.354 3.768 4.120 0.004 0.000 0.253 1349 V C 2.577 178.633 176.094 -0.062 0.000 1.061 1349 V CA 2.261 64.494 62.300 -0.111 0.000 1.035 1349 V CB -0.683 31.103 31.823 -0.061 0.000 0.653 1349 V HN 0.348 nan 8.190 nan 0.000 0.454 1350 E N -0.427 119.762 120.200 -0.018 0.000 2.085 1350 E HA -0.220 4.133 4.350 0.004 0.000 0.194 1350 E C 2.144 178.754 176.600 0.017 0.000 0.994 1350 E CA 1.392 57.804 56.400 0.020 0.000 0.801 1350 E CB -0.367 29.373 29.700 0.066 0.000 0.743 1350 E HN 0.631 nan 8.360 nan 0.000 0.453 1351 E N -0.095 120.076 120.200 -0.048 0.000 2.204 1351 E HA -0.106 4.246 4.350 0.004 0.000 0.195 1351 E C 1.683 178.272 176.600 -0.017 0.000 0.990 1351 E CA 0.776 57.124 56.400 -0.087 0.000 0.821 1351 E CB -0.137 29.304 29.700 -0.432 0.000 0.750 1351 E HN 0.332 nan 8.360 nan 0.000 0.477 1352 I N 0.169 120.735 120.570 -0.007 0.000 2.333 1352 I HA -0.217 3.956 4.170 0.004 0.000 0.246 1352 I C 2.245 178.439 176.117 0.129 0.000 1.106 1352 I CA 0.718 62.089 61.300 0.119 0.000 1.411 1352 I CB -0.234 37.853 38.000 0.145 0.000 1.082 1352 I HN 0.063 nan 8.210 nan 0.000 0.420 1353 Q N 1.022 120.848 119.800 0.044 0.000 2.170 1353 Q HA -0.177 4.165 4.340 0.004 0.000 0.203 1353 Q C 2.119 178.209 176.000 0.150 0.000 0.976 1353 Q CA 1.055 56.894 55.803 0.059 0.000 0.858 1353 Q CB -0.346 28.406 28.738 0.023 0.000 0.907 1353 Q HN 0.439 nan 8.270 nan 0.000 0.433 1354 K N 0.373 120.846 120.400 0.122 0.000 2.059 1354 K HA -0.143 4.180 4.320 0.004 0.000 0.212 1354 K C 2.243 178.931 176.600 0.148 0.000 1.050 1354 K CA 1.240 57.597 56.287 0.117 0.000 0.927 1354 K CB -0.890 31.668 32.500 0.097 0.000 0.714 1354 K HN 0.122 nan 8.250 nan 0.000 0.447 1355 V N 0.471 120.505 119.914 0.200 0.000 2.261 1355 V HA -0.255 3.868 4.120 0.004 0.000 0.246 1355 V C 2.274 178.471 176.094 0.171 0.000 1.047 1355 V CA 1.758 64.166 62.300 0.180 0.000 1.015 1355 V CB -0.755 31.190 31.823 0.203 0.000 0.642 1355 V HN 0.126 nan 8.190 nan 0.000 0.446 1356 Y N 0.864 121.196 120.300 0.052 0.000 2.181 1356 Y HA -0.167 4.385 4.550 0.004 0.000 0.288 1356 Y C 2.689 178.615 175.900 0.043 0.000 1.146 1356 Y CA 1.466 59.595 58.100 0.049 0.000 1.164 1356 Y CB -0.668 37.828 38.460 0.059 0.000 0.982 1356 Y HN 0.149 nan 8.280 nan 0.000 0.515 1357 R N -0.041 120.586 120.500 0.212 0.000 2.073 1357 R HA -0.118 4.225 4.340 0.004 0.000 0.234 1357 R C 2.371 178.721 176.300 0.084 0.000 1.134 1357 R CA 1.321 57.493 56.100 0.120 0.000 0.952 1357 R CB -0.814 29.540 30.300 0.090 0.000 0.850 1357 R HN 0.251 nan 8.270 nan 0.000 0.433 1358 A N 0.326 123.194 122.820 0.081 0.000 2.259 1358 A HA -0.113 4.210 4.320 0.004 0.000 0.212 1358 A C 1.548 179.158 177.584 0.044 0.000 1.178 1358 A CA 0.997 53.068 52.037 0.057 0.000 0.734 1358 A CB 0.029 19.064 19.000 0.059 0.000 0.774 1358 A HN 0.210 nan 8.150 nan 0.000 0.481 1359 Q N -2.240 117.584 119.800 0.041 0.000 2.093 1359 Q HA 0.257 4.599 4.340 0.004 0.000 0.217 1359 Q C 0.970 176.986 176.000 0.027 0.000 0.785 1359 Q CA 0.692 56.508 55.803 0.021 0.000 1.038 1359 Q CB 0.828 29.558 28.738 -0.013 0.000 1.190 1359 Q HN 0.863 nan 8.270 nan 0.000 0.468 1360 G N 0.193 109.019 108.800 0.043 0.000 2.279 1360 G HA2 -0.250 3.712 3.960 0.004 0.000 0.223 1360 G HA3 -0.250 3.712 3.960 0.004 0.000 0.223 1360 G C 0.219 175.155 174.900 0.060 0.000 1.015 1360 G CA 0.180 45.307 45.100 0.044 0.000 0.621 1360 G HN 0.202 nan 8.290 nan 0.000 0.506 1361 V N 1.568 121.532 119.914 0.082 0.000 2.614 1361 V HA 0.437 4.559 4.120 0.004 0.000 0.291 1361 V C 0.545 176.724 176.094 0.142 0.000 1.049 1361 V CA 0.523 62.898 62.300 0.124 0.000 1.038 1361 V CB 1.429 33.359 31.823 0.178 0.000 0.980 1361 V HN 0.333 nan 8.190 nan 0.000 0.481 1362 K N 6.263 126.729 120.400 0.110 0.000 2.533 1362 K HA 0.432 4.755 4.320 0.004 0.000 0.207 1362 K C -0.598 176.061 176.600 0.098 0.000 1.052 1362 K CA -0.202 56.131 56.287 0.077 0.000 1.030 1362 K CB 0.561 33.074 32.500 0.022 0.000 1.522 1362 K HN 0.637 nan 8.250 nan 0.000 0.543 1363 L N -1.355 119.948 121.223 0.133 0.000 2.325 1363 L HA 0.516 4.859 4.340 0.004 0.000 0.279 1363 L C 0.210 177.196 176.870 0.194 0.000 1.054 1363 L CA -0.921 54.025 54.840 0.176 0.000 0.804 1363 L CB 0.798 42.949 42.059 0.155 0.000 1.200 1363 L HN 0.361 nan 8.230 nan 0.000 0.436 1364 H N 2.366 121.552 119.070 0.193 0.000 2.848 1364 H HA 0.035 4.594 4.556 0.005 0.000 0.341 1364 H C 0.088 175.398 175.328 -0.030 0.000 1.060 1364 H CA 0.286 56.363 56.048 0.049 0.000 1.444 1364 H CB 1.293 31.028 29.762 -0.045 0.000 1.446 1364 H HN 0.817 nan 8.280 nan 0.000 0.583 1365 D N 4.414 125.039 120.400 0.375 0.000 2.158 1365 D HA -0.165 4.478 4.640 0.004 0.000 0.197 1365 D C 1.844 178.160 176.300 0.027 0.000 0.995 1365 D CA 1.218 55.318 54.000 0.166 0.000 0.846 1365 D CB 0.197 41.061 40.800 0.106 0.000 0.941 1365 D HN 0.565 nan 8.370 nan 0.000 0.456 1366 K N -0.046 120.248 120.400 -0.177 0.000 2.044 1366 K HA -0.267 4.056 4.320 0.004 0.000 0.224 1366 K C 2.043 178.493 176.600 -0.250 0.000 1.056 1366 K CA 1.769 57.756 56.287 -0.501 0.000 0.962 1366 K CB -0.556 31.267 32.500 -1.128 0.000 0.730 1366 K HN 0.429 nan 8.250 nan 0.000 0.453 1367 H N 0.392 119.457 119.070 -0.007 0.000 2.289 1367 H HA -0.135 4.424 4.556 0.004 0.000 0.296 1367 H C 2.367 177.730 175.328 0.057 0.000 1.091 1367 H CA 1.700 57.786 56.048 0.063 0.000 1.274 1367 H CB -0.671 29.139 29.762 0.079 0.000 1.364 1367 H HN 0.242 nan 8.280 nan 0.000 0.490 1368 I N 1.229 121.887 120.570 0.147 0.000 2.361 1368 I HA -0.214 3.958 4.170 0.004 0.000 0.251 1368 I C 2.392 178.495 176.117 -0.023 0.000 1.133 1368 I CA 1.042 62.383 61.300 0.069 0.000 1.413 1368 I CB -0.180 37.819 38.000 -0.001 0.000 1.073 1368 I HN 0.271 nan 8.210 nan 0.000 0.424 1369 E N 0.876 121.065 120.200 -0.018 0.000 2.028 1369 E HA -0.191 4.161 4.350 0.004 0.000 0.191 1369 E C 2.353 178.947 176.600 -0.010 0.000 0.988 1369 E CA 1.175 57.553 56.400 -0.037 0.000 0.799 1369 E CB -0.139 29.533 29.700 -0.047 0.000 0.755 1369 E HN 0.406 nan 8.360 nan 0.000 0.447 1370 I N 1.378 121.967 120.570 0.032 0.000 2.145 1370 I HA -0.254 3.918 4.170 0.004 0.000 0.244 1370 I C 2.599 178.746 176.117 0.049 0.000 1.075 1370 I CA 1.137 62.473 61.300 0.060 0.000 1.332 1370 I CB -1.333 36.738 38.000 0.120 0.000 1.033 1370 I HN -0.042 nan 8.210 nan 0.000 0.410 1371 V N 0.472 120.423 119.914 0.062 0.000 2.229 1371 V HA -0.231 3.892 4.120 0.004 0.000 0.243 1371 V C 2.616 178.706 176.094 -0.006 0.000 1.042 1371 V CA 1.772 64.110 62.300 0.064 0.000 1.000 1371 V CB -0.707 31.203 31.823 0.145 0.000 0.637 1371 V HN 0.323 nan 8.190 nan 0.000 0.446 1372 V N 0.564 120.414 119.914 -0.106 0.000 2.363 1372 V HA -0.382 3.741 4.120 0.004 0.000 0.254 1372 V C 2.623 178.689 176.094 -0.047 0.000 1.074 1372 V CA 2.901 65.116 62.300 -0.143 0.000 1.069 1372 V CB -0.643 31.059 31.823 -0.202 0.000 0.659 1372 V HN 0.583 nan 8.190 nan 0.000 0.455 1373 R N -0.916 119.569 120.500 -0.025 0.000 2.094 1373 R HA -0.220 4.123 4.340 0.004 0.000 0.239 1373 R C 2.384 178.688 176.300 0.007 0.000 1.137 1373 R CA 2.233 58.328 56.100 -0.009 0.000 0.943 1373 R CB -0.375 29.920 30.300 -0.008 0.000 0.850 1373 R HN 0.555 nan 8.270 nan 0.000 0.433 1374 Q N 0.071 119.889 119.800 0.030 0.000 2.234 1374 Q HA -0.155 4.188 4.340 0.004 0.000 0.206 1374 Q C 1.968 178.073 176.000 0.174 0.000 0.980 1374 Q CA 1.366 57.215 55.803 0.076 0.000 0.869 1374 Q CB -0.177 28.623 28.738 0.102 0.000 0.912 1374 Q HN 0.498 nan 8.270 nan 0.000 0.436 1375 M N -1.300 118.368 119.600 0.114 0.000 2.549 1375 M HA -0.051 4.432 4.480 0.004 0.000 0.260 1375 M C 1.010 177.422 176.300 0.187 0.000 1.076 1375 M CA 0.992 56.371 55.300 0.131 0.000 1.090 1375 M CB 0.166 32.781 32.600 0.024 0.000 1.418 1375 M HN 0.081 nan 8.290 nan 0.000 0.486 1376 M N -0.818 118.874 119.600 0.153 0.000 3.017 1376 M HA 0.093 4.576 4.480 0.004 0.000 0.423 1376 M C 0.950 177.276 176.300 0.043 0.000 1.395 1376 M CA -0.041 55.351 55.300 0.154 0.000 0.816 1376 M CB 0.578 33.237 32.600 0.099 0.000 1.440 1376 M HN 0.020 nan 8.290 nan 0.000 0.506 1377 K N 0.237 120.564 120.400 -0.123 0.000 2.551 1377 K HA 0.016 4.338 4.320 0.004 0.000 0.192 1377 K C -0.949 175.264 176.600 -0.644 0.000 1.027 1377 K CA 0.708 56.711 56.287 -0.473 0.000 1.059 1377 K CB 0.239 32.355 32.500 -0.642 0.000 0.831 1377 K HN 0.237 nan 8.250 nan 0.000 0.508 1378 Y N -0.275 120.032 120.300 0.012 0.000 2.570 1378 Y HA 0.511 5.064 4.550 0.004 0.000 0.345 1378 Y C -0.183 175.735 175.900 0.030 0.000 1.014 1378 Y CA -1.293 56.818 58.100 0.017 0.000 1.063 1378 Y CB 2.088 40.572 38.460 0.040 0.000 1.272 1378 Y HN -0.111 nan 8.280 nan 0.000 0.477 1379 V N -2.071 117.961 119.914 0.195 0.000 3.242 1379 V HA 0.580 4.703 4.120 0.004 0.000 0.298 1379 V C -1.149 175.068 176.094 0.204 0.000 1.352 1379 V CA -1.293 61.110 62.300 0.171 0.000 1.052 1379 V CB 1.810 33.635 31.823 0.004 0.000 1.101 1379 V HN 0.788 nan 8.190 nan 0.000 0.446 1380 E N 0.594 120.917 120.200 0.204 0.000 2.283 1380 E HA 0.708 5.060 4.350 0.004 0.000 0.271 1380 E C -1.149 175.522 176.600 0.118 0.000 1.031 1380 E CA -0.650 55.841 56.400 0.151 0.000 0.868 1380 E CB 1.926 31.687 29.700 0.103 0.000 1.094 1380 E HN 0.742 nan 8.360 nan 0.000 0.401 1381 V N 2.672 122.621 119.914 0.058 0.000 2.495 1381 V HA 0.323 4.445 4.120 0.004 0.000 0.298 1381 V C 0.601 176.672 176.094 -0.039 0.000 1.031 1381 V CA -0.274 61.991 62.300 -0.059 0.000 0.871 1381 V CB 1.349 33.118 31.823 -0.089 0.000 0.988 1381 V HN 0.980 nan 8.190 nan 0.000 0.432 1382 T N -1.748 112.762 114.554 -0.073 0.000 3.016 1382 T HA 0.287 4.639 4.350 0.004 0.000 0.271 1382 T C -0.083 174.579 174.700 -0.063 0.000 0.968 1382 T CA 0.024 62.093 62.100 -0.052 0.000 0.891 1382 T CB 0.147 68.984 68.868 -0.051 0.000 1.149 1382 T HN 0.539 nan 8.240 nan 0.000 0.524 1383 D N 2.771 123.113 120.400 -0.097 0.000 2.364 1383 D HA 0.423 5.066 4.640 0.004 0.000 0.251 1383 D C -2.872 173.367 176.300 -0.101 0.000 1.282 1383 D CA -1.371 52.580 54.000 -0.082 0.000 0.927 1383 D CB 2.070 42.820 40.800 -0.083 0.000 1.267 1383 D HN 0.113 nan 8.370 nan 0.000 0.531 1384 P HA 0.343 nan 4.420 nan 0.000 0.273 1384 P C 0.468 177.788 177.300 0.033 0.000 1.250 1384 P CA -0.148 62.952 63.100 -0.001 0.000 0.793 1384 P CB 1.447 33.176 31.700 0.048 0.000 1.011 1385 G N -0.944 107.918 108.800 0.103 0.000 3.128 1385 G HA2 -0.044 3.919 3.960 0.004 0.000 0.158 1385 G HA3 -0.044 3.919 3.960 0.004 0.000 0.158 1385 G C 0.804 175.787 174.900 0.138 0.000 1.289 1385 G CA 0.333 45.503 45.100 0.117 0.000 0.829 1385 G HN 0.526 nan 8.290 nan 0.000 0.618 1386 D N 0.369 120.891 120.400 0.204 0.000 2.149 1386 D HA 0.132 4.775 4.640 0.004 0.000 0.206 1386 D C 0.326 176.708 176.300 0.137 0.000 0.967 1386 D CA 0.987 55.076 54.000 0.149 0.000 0.848 1386 D CB 0.517 41.394 40.800 0.128 0.000 0.998 1386 D HN 0.142 nan 8.370 nan 0.000 0.474 1387 S N -0.719 115.105 115.700 0.206 0.000 2.542 1387 S HA 0.515 4.988 4.470 0.004 0.000 0.293 1387 S C -0.851 173.850 174.600 0.169 0.000 1.089 1387 S CA -0.679 57.616 58.200 0.159 0.000 0.961 1387 S CB 1.674 64.956 63.200 0.136 0.000 1.062 1387 S HN 0.028 nan 8.310 nan 0.000 0.483 1388 R N 1.655 122.220 120.500 0.108 0.000 2.705 1388 R HA -0.020 4.322 4.340 0.004 0.000 0.264 1388 R C 1.384 177.742 176.300 0.095 0.000 0.988 1388 R CA 0.056 56.205 56.100 0.082 0.000 1.103 1388 R CB -0.263 30.069 30.300 0.053 0.000 0.950 1388 R HN 0.609 nan 8.270 nan 0.000 0.427 1389 L N 3.667 124.927 121.223 0.062 0.000 1.929 1389 L HA -0.117 4.225 4.340 0.004 0.000 0.229 1389 L C 0.264 177.167 176.870 0.055 0.000 1.086 1389 L CA 1.727 56.592 54.840 0.042 0.000 0.798 1389 L CB -0.866 41.206 42.059 0.022 0.000 0.898 1389 L HN 0.516 nan 8.230 nan 0.000 0.436 1390 L N 1.969 123.218 121.223 0.043 0.000 2.742 1390 L HA 0.145 4.487 4.340 0.004 0.000 0.275 1390 L C -0.186 176.725 176.870 0.067 0.000 1.141 1390 L CA 0.619 55.487 54.840 0.046 0.000 0.987 1390 L CB -1.179 40.897 42.059 0.029 0.000 1.319 1390 L HN 0.507 nan 8.230 nan 0.000 0.478 1391 E N 2.233 122.491 120.200 0.096 0.000 2.381 1391 E HA 0.324 4.677 4.350 0.004 0.000 0.286 1391 E C -0.588 176.107 176.600 0.158 0.000 0.960 1391 E CA -0.618 55.858 56.400 0.127 0.000 0.793 1391 E CB 2.454 32.262 29.700 0.180 0.000 1.225 1391 E HN 0.619 nan 8.360 nan 0.000 0.420 1392 G N 2.441 111.320 108.800 0.132 0.000 2.428 1392 G HA2 0.410 4.373 3.960 0.004 0.000 0.320 1392 G HA3 0.410 4.373 3.960 0.004 0.000 0.320 1392 G C -0.384 174.627 174.900 0.185 0.000 1.098 1392 G CA -0.095 45.095 45.100 0.150 0.000 0.984 1392 G HN 0.171 nan 8.290 nan 0.000 0.444 1393 Q N 1.044 121.002 119.800 0.264 0.000 2.484 1393 Q HA 0.332 4.674 4.340 0.004 0.000 0.285 1393 Q C -0.444 175.661 176.000 0.175 0.000 1.097 1393 Q CA -0.999 54.921 55.803 0.196 0.000 0.802 1393 Q CB 3.070 31.852 28.738 0.074 0.000 1.444 1393 Q HN 0.310 nan 8.270 nan 0.000 0.429 1394 V N 2.815 122.765 119.914 0.059 0.000 2.583 1394 V HA -0.180 3.943 4.120 0.004 0.000 0.302 1394 V C 1.808 177.799 176.094 -0.172 0.000 1.033 1394 V CA 0.869 63.101 62.300 -0.115 0.000 1.194 1394 V CB -0.196 31.515 31.823 -0.185 0.000 0.879 1394 V HN 0.789 nan 8.190 nan 0.000 0.482 1395 L N 4.051 125.145 121.223 -0.216 0.000 1.971 1395 L HA -0.161 4.182 4.340 0.004 0.000 0.215 1395 L C 2.522 179.197 176.870 -0.326 0.000 1.072 1395 L CA 2.050 56.697 54.840 -0.321 0.000 0.758 1395 L CB -0.192 41.691 42.059 -0.293 0.000 0.889 1395 L HN 0.839 nan 8.230 nan 0.000 0.433 1396 E N 0.411 120.438 120.200 -0.288 0.000 2.110 1396 E HA -0.271 4.081 4.350 0.004 0.000 0.193 1396 E C 2.103 178.555 176.600 -0.247 0.000 0.988 1396 E CA 1.488 57.735 56.400 -0.256 0.000 0.804 1396 E CB -0.025 29.505 29.700 -0.284 0.000 0.745 1396 E HN 0.531 nan 8.360 nan 0.000 0.458 1397 K N -1.147 119.073 120.400 -0.299 0.000 2.360 1397 K HA -0.145 4.178 4.320 0.004 0.000 0.201 1397 K C 1.846 178.227 176.600 -0.366 0.000 1.046 1397 K CA 1.074 57.158 56.287 -0.338 0.000 0.945 1397 K CB -0.166 32.097 32.500 -0.394 0.000 0.750 1397 K HN 0.252 nan 8.250 nan 0.000 0.464 1398 W N 0.728 121.884 121.300 -0.241 0.000 2.576 1398 W HA -0.041 4.622 4.660 0.005 0.000 0.275 1398 W C 1.640 178.047 176.519 -0.188 0.000 1.241 1398 W CA -0.168 57.043 57.345 -0.224 0.000 1.328 1398 W CB 0.357 29.599 29.460 -0.363 0.000 1.092 1398 W HN 0.014 nan 8.180 nan 0.000 0.586 1399 D N 0.082 120.473 120.400 -0.016 0.000 2.263 1399 D HA -0.141 4.502 4.640 0.004 0.000 0.208 1399 D C 2.072 178.385 176.300 0.021 0.000 0.971 1399 D CA 1.110 55.109 54.000 -0.000 0.000 0.867 1399 D CB 0.057 40.818 40.800 -0.064 0.000 0.929 1399 D HN 0.034 nan 8.370 nan 0.000 0.492 1400 V N 1.015 120.914 119.914 -0.025 0.000 2.255 1400 V HA -0.154 3.969 4.120 0.004 0.000 0.243 1400 V C 2.496 178.600 176.094 0.016 0.000 1.038 1400 V CA 1.284 63.562 62.300 -0.036 0.000 1.008 1400 V CB -0.367 31.394 31.823 -0.104 0.000 0.645 1400 V HN 0.095 nan 8.190 nan 0.000 0.449 1401 E N 1.074 121.299 120.200 0.042 0.000 2.021 1401 E HA -0.262 4.090 4.350 0.004 0.000 0.200 1401 E C 2.282 178.988 176.600 0.177 0.000 1.015 1401 E CA 2.137 58.612 56.400 0.125 0.000 0.824 1401 E CB -0.590 29.270 29.700 0.267 0.000 0.762 1401 E HN 0.437 nan 8.360 nan 0.000 0.454 1402 A N 1.508 124.475 122.820 0.245 0.000 1.917 1402 A HA -0.197 4.126 4.320 0.004 0.000 0.219 1402 A C 2.599 180.258 177.584 0.125 0.000 1.182 1402 A CA 1.731 53.886 52.037 0.197 0.000 0.633 1402 A CB -0.951 18.194 19.000 0.241 0.000 0.819 1402 A HN 0.398 nan 8.150 nan 0.000 0.448 1403 L N -0.565 120.719 121.223 0.101 0.000 2.017 1403 L HA -0.222 4.121 4.340 0.004 0.000 0.208 1403 L C 1.852 178.753 176.870 0.052 0.000 1.073 1403 L CA 2.001 56.880 54.840 0.066 0.000 0.745 1403 L CB -0.304 41.781 42.059 0.043 0.000 0.894 1403 L HN 0.420 nan 8.230 nan 0.000 0.432 1404 N N -0.928 117.801 118.700 0.049 0.000 2.424 1404 N HA -0.136 4.607 4.740 0.004 0.000 0.178 1404 N C 1.413 176.950 175.510 0.046 0.000 1.060 1404 N CA 0.539 53.611 53.050 0.038 0.000 0.901 1404 N CB 0.052 38.555 38.487 0.026 0.000 0.979 1404 N HN 0.385 nan 8.380 nan 0.000 0.451 1405 E N 0.331 120.570 120.200 0.064 0.000 2.371 1405 E HA 0.056 4.408 4.350 0.004 0.000 0.194 1405 E C 1.783 178.414 176.600 0.053 0.000 1.012 1405 E CA 0.314 56.752 56.400 0.065 0.000 0.860 1405 E CB 0.378 30.132 29.700 0.091 0.000 0.811 1405 E HN 0.173 nan 8.360 nan 0.000 0.502 1406 R N -0.676 119.855 120.500 0.052 0.000 2.221 1406 R HA 0.080 4.423 4.340 0.004 0.000 0.195 1406 R C 1.619 177.939 176.300 0.033 0.000 0.956 1406 R CA 0.048 56.172 56.100 0.041 0.000 1.064 1406 R CB 0.297 30.624 30.300 0.045 0.000 1.049 1406 R HN 0.144 nan 8.270 nan 0.000 0.534 1407 L N 0.413 121.656 121.223 0.033 0.000 2.265 1407 L HA 0.187 4.529 4.340 0.004 0.000 0.195 1407 L C 1.924 178.808 176.870 0.022 0.000 1.083 1407 L CA 1.330 56.186 54.840 0.026 0.000 0.798 1407 L CB -0.336 41.739 42.059 0.027 0.000 0.989 1407 L HN 0.064 nan 8.230 nan 0.000 0.472 1408 I N -0.552 120.032 120.570 0.023 0.000 2.185 1408 I HA -0.033 4.139 4.170 0.004 0.000 0.235 1408 I C 1.090 177.219 176.117 0.020 0.000 1.069 1408 I CA 0.635 61.947 61.300 0.019 0.000 1.354 1408 I CB -0.505 37.505 38.000 0.017 0.000 1.093 1408 I HN 0.113 nan 8.210 nan 0.000 0.411 1409 A N 1.241 124.075 122.820 0.023 0.000 2.301 1409 A HA 0.343 4.666 4.320 0.004 0.000 0.298 1409 A C -0.108 177.491 177.584 0.025 0.000 1.185 1409 A CA -0.398 51.653 52.037 0.023 0.000 0.830 1409 A CB 0.140 19.155 19.000 0.025 0.000 1.112 1409 A HN 0.299 nan 8.150 nan 0.000 0.508 1410 E N 0.859 121.072 120.200 0.022 0.000 2.620 1410 E HA 0.504 4.857 4.350 0.004 0.000 0.255 1410 E C 0.544 177.158 176.600 0.023 0.000 1.346 1410 E CA 0.500 56.913 56.400 0.021 0.000 1.013 1410 E CB 0.326 30.036 29.700 0.016 0.000 1.131 1410 E HN 1.492 nan 8.360 nan 0.000 0.608 1411 G N 1.239 110.052 108.800 0.020 0.000 2.940 1411 G HA2 -0.252 3.711 3.960 0.004 0.000 0.273 1411 G HA3 -0.252 3.711 3.960 0.004 0.000 0.273 1411 G C -0.525 174.390 174.900 0.025 0.000 1.030 1411 G CA -0.274 44.838 45.100 0.021 0.000 1.066 1411 G HN 0.279 nan 8.290 nan 0.000 0.466 1412 K N 1.967 122.379 120.400 0.020 0.000 2.228 1412 K HA 0.328 4.650 4.320 0.004 0.000 0.284 1412 K C 0.261 176.874 176.600 0.022 0.000 1.088 1412 K CA -0.035 56.266 56.287 0.023 0.000 0.941 1412 K CB -0.023 32.487 32.500 0.016 0.000 1.158 1412 K HN 0.288 nan 8.250 nan 0.000 0.438 1413 T N 7.254 121.827 114.554 0.033 0.000 3.316 1413 T HA 0.202 4.555 4.350 0.004 0.000 0.341 1413 T C -2.521 172.195 174.700 0.028 0.000 1.397 1413 T CA -1.550 60.568 62.100 0.030 0.000 1.085 1413 T CB 0.562 69.457 68.868 0.045 0.000 1.160 1413 T HN 0.418 nan 8.240 nan 0.000 0.694 1414 P HA 0.026 nan 4.420 nan 0.000 0.261 1414 P C 0.105 177.385 177.300 -0.034 0.000 1.183 1414 P CA -0.191 62.907 63.100 -0.004 0.000 0.761 1414 P CB 0.179 31.862 31.700 -0.028 0.000 0.785 1415 V N 0.976 120.872 119.914 -0.029 0.000 2.222 1415 V HA 0.541 4.664 4.120 0.004 0.000 0.253 1415 V C 0.590 176.594 176.094 -0.150 0.000 1.210 1415 V CA -1.247 60.948 62.300 -0.176 0.000 1.079 1415 V CB -0.410 31.236 31.823 -0.294 0.000 1.265 1415 V HN 0.556 nan 8.190 nan 0.000 0.494 1416 A N 6.114 128.842 122.820 -0.155 0.000 2.484 1416 A HA 0.512 4.834 4.320 0.004 0.000 0.268 1416 A C -0.143 177.359 177.584 -0.135 0.000 1.114 1416 A CA -0.227 51.708 52.037 -0.170 0.000 0.780 1416 A CB -0.336 18.571 19.000 -0.155 0.000 1.061 1416 A HN 1.301 nan 8.150 nan 0.000 0.505 1417 W N 2.410 123.561 121.300 -0.247 0.000 2.869 1417 W HA 0.797 5.460 4.660 0.005 0.000 0.345 1417 W C -0.624 175.825 176.519 -0.116 0.000 1.191 1417 W CA -1.373 55.833 57.345 -0.231 0.000 1.104 1417 W CB 1.122 30.411 29.460 -0.286 0.000 1.471 1417 W HN 0.520 nan 8.180 nan 0.000 0.612 1418 K N 1.730 122.285 120.400 0.258 0.000 2.507 1418 K HA 0.426 4.748 4.320 0.004 0.000 0.252 1418 K C -2.691 174.114 176.600 0.340 0.000 0.943 1418 K CA -1.931 54.438 56.287 0.138 0.000 0.808 1418 K CB 1.869 34.402 32.500 0.055 0.000 1.142 1418 K HN 0.089 nan 8.250 nan 0.000 0.426 1419 P HA -0.078 nan 4.420 nan 0.000 0.260 1419 P C -1.145 176.278 177.300 0.205 0.000 1.185 1419 P CA 0.172 63.458 63.100 0.310 0.000 0.763 1419 P CB 0.366 32.206 31.700 0.232 0.000 0.776 1420 L N 5.011 126.359 121.223 0.208 0.000 2.295 1420 L HA 0.474 4.816 4.340 0.004 0.000 0.285 1420 L C -0.646 176.344 176.870 0.200 0.000 1.035 1420 L CA -1.126 53.819 54.840 0.175 0.000 0.806 1420 L CB 1.037 43.196 42.059 0.167 0.000 1.214 1420 L HN 0.163 nan 8.230 nan 0.000 0.426 1421 L N 7.228 128.597 121.223 0.243 0.000 2.262 1421 L HA 0.548 4.891 4.340 0.004 0.000 0.288 1421 L C -0.396 176.608 176.870 0.223 0.000 1.035 1421 L CA -0.163 54.826 54.840 0.249 0.000 0.820 1421 L CB 0.960 43.199 42.059 0.299 0.000 1.204 1421 L HN 0.660 nan 8.230 nan 0.000 0.424 1422 M N 2.923 122.605 119.600 0.135 0.000 2.690 1422 M HA 0.855 5.337 4.480 0.004 0.000 0.302 1422 M C 0.067 176.396 176.300 0.049 0.000 1.234 1422 M CA -0.724 54.621 55.300 0.075 0.000 0.853 1422 M CB 1.482 34.091 32.600 0.015 0.000 1.748 1422 M HN 0.542 nan 8.290 nan 0.000 0.469 1423 G N 0.222 109.039 108.800 0.028 0.000 2.491 1423 G HA2 0.464 4.426 3.960 0.004 0.000 0.327 1423 G HA3 0.464 4.426 3.960 0.004 0.000 0.327 1423 G C 0.377 175.316 174.900 0.065 0.000 1.189 1423 G CA -0.774 44.349 45.100 0.039 0.000 0.956 1423 G HN 0.664 nan 8.290 nan 0.000 0.491 1424 V N 0.328 120.300 119.914 0.097 0.000 2.370 1424 V HA -0.213 3.909 4.120 0.004 0.000 0.252 1424 V C 2.882 179.029 176.094 0.089 0.000 1.068 1424 V CA 3.067 65.439 62.300 0.121 0.000 1.061 1424 V CB -0.521 31.424 31.823 0.203 0.000 0.656 1424 V HN 0.835 nan 8.190 nan 0.000 0.455 1425 T N -0.909 113.685 114.554 0.067 0.000 2.732 1425 T HA -0.159 4.194 4.350 0.004 0.000 0.261 1425 T C 1.924 176.671 174.700 0.079 0.000 1.040 1425 T CA 1.616 63.770 62.100 0.090 0.000 1.145 1425 T CB -0.226 68.695 68.868 0.088 0.000 0.866 1425 T HN 0.438 nan 8.240 nan 0.000 0.427 1426 K N 0.841 121.254 120.400 0.022 0.000 2.097 1426 K HA -0.098 4.225 4.320 0.004 0.000 0.206 1426 K C 2.652 179.181 176.600 -0.118 0.000 1.049 1426 K CA 1.375 57.630 56.287 -0.052 0.000 0.933 1426 K CB -0.260 32.202 32.500 -0.064 0.000 0.717 1426 K HN 0.237 nan 8.250 nan 0.000 0.442 1427 S N -0.203 115.456 115.700 -0.068 0.000 2.402 1427 S HA -0.085 4.388 4.470 0.004 0.000 0.229 1427 S C 1.880 176.519 174.600 0.064 0.000 1.021 1427 S CA 1.124 59.286 58.200 -0.063 0.000 0.974 1427 S CB -0.116 63.239 63.200 0.258 0.000 0.800 1427 S HN 0.422 nan 8.310 nan 0.000 0.484 1428 A N 1.354 124.227 122.820 0.088 0.000 1.897 1428 A HA 0.163 4.486 4.320 0.004 0.000 0.215 1428 A C 2.023 179.642 177.584 0.059 0.000 1.181 1428 A CA 1.098 53.204 52.037 0.115 0.000 0.620 1428 A CB -0.715 18.374 19.000 0.148 0.000 0.821 1428 A HN 0.494 nan 8.150 nan 0.000 0.443 1429 L N 0.744 121.974 121.223 0.012 0.000 1.990 1429 L HA -0.105 4.237 4.340 0.004 0.000 0.213 1429 L C 1.758 178.574 176.870 -0.090 0.000 1.072 1429 L CA 2.148 56.939 54.840 -0.082 0.000 0.755 1429 L CB -1.103 40.876 42.059 -0.134 0.000 0.889 1429 L HN 0.511 nan 8.230 nan 0.000 0.432 1430 S N -1.626 114.002 115.700 -0.119 0.000 2.567 1430 S HA 0.488 4.961 4.470 0.004 0.000 0.262 1430 S C 0.016 174.576 174.600 -0.066 0.000 1.237 1430 S CA -0.483 57.639 58.200 -0.130 0.000 1.093 1430 S CB 0.921 63.982 63.200 -0.232 0.000 1.095 1430 S HN 0.320 nan 8.310 nan 0.000 0.489 1431 T N 1.074 115.679 114.554 0.085 0.000 2.858 1431 T HA 0.465 4.818 4.350 0.004 0.000 0.285 1431 T C 0.845 175.651 174.700 0.178 0.000 1.052 1431 T CA -0.742 61.495 62.100 0.228 0.000 1.009 1431 T CB 1.669 70.646 68.868 0.182 0.000 1.241 1431 T HN 0.530 nan 8.240 nan 0.000 0.542 1432 K N 0.708 121.213 120.400 0.175 0.000 1.974 1432 K HA 0.056 4.379 4.320 0.004 0.000 0.211 1432 K C 0.972 177.641 176.600 0.114 0.000 1.039 1432 K CA 1.161 57.535 56.287 0.144 0.000 0.947 1432 K CB -0.637 31.969 32.500 0.177 0.000 0.735 1432 K HN 0.765 nan 8.250 nan 0.000 0.441 1433 S N -0.214 115.517 115.700 0.052 0.000 2.559 1433 S HA -0.107 4.365 4.470 0.004 0.000 0.282 1433 S C 0.640 175.285 174.600 0.074 0.000 1.336 1433 S CA 0.233 58.447 58.200 0.024 0.000 1.037 1433 S CB 0.140 63.274 63.200 -0.109 0.000 0.853 1433 S HN 0.651 nan 8.310 nan 0.000 0.523 1434 W N 1.616 122.899 121.300 -0.029 0.000 2.735 1434 W HA 0.349 5.011 4.660 0.004 0.000 0.264 1434 W C 1.145 177.611 176.519 -0.087 0.000 1.233 1434 W CA -0.364 56.942 57.345 -0.066 0.000 1.408 1434 W CB -0.689 28.723 29.460 -0.080 0.000 1.038 1434 W HN 0.501 nan 8.180 nan 0.000 0.603 1435 L N 1.563 122.116 121.223 -1.117 0.000 2.021 1435 L HA -0.301 4.041 4.340 0.004 0.000 0.215 1435 L C 2.977 179.629 176.870 -0.363 0.000 1.074 1435 L CA 2.592 56.936 54.840 -0.826 0.000 0.760 1435 L CB -1.352 40.265 42.059 -0.737 0.000 0.889 1435 L HN 0.264 nan 8.230 nan 0.000 0.433 1436 S N -1.624 113.898 115.700 -0.296 0.000 2.402 1436 S HA -0.086 4.386 4.470 0.004 0.000 0.229 1436 S C 2.039 176.552 174.600 -0.146 0.000 1.021 1436 S CA 0.957 59.010 58.200 -0.247 0.000 0.974 1436 S CB -0.144 62.895 63.200 -0.268 0.000 0.800 1436 S HN 0.473 nan 8.310 nan 0.000 0.484 1437 A N 0.746 123.502 122.820 -0.107 0.000 2.016 1437 A HA 0.392 4.715 4.320 0.004 0.000 0.217 1437 A C 2.223 179.724 177.584 -0.140 0.000 1.162 1437 A CA 1.271 53.264 52.037 -0.073 0.000 0.662 1437 A CB -0.852 18.136 19.000 -0.021 0.000 0.812 1437 A HN 0.607 nan 8.150 nan 0.000 0.450 1438 A N -0.333 122.347 122.820 -0.233 0.000 2.172 1438 A HA 0.031 4.354 4.320 0.004 0.000 0.216 1438 A C 2.259 179.582 177.584 -0.435 0.000 1.154 1438 A CA 1.687 53.414 52.037 -0.517 0.000 0.701 1438 A CB -0.503 17.854 19.000 -1.071 0.000 0.789 1438 A HN 0.432 nan 8.150 nan 0.000 0.465 1439 S N -1.483 114.114 115.700 -0.172 0.000 2.348 1439 S HA 0.050 4.522 4.470 0.004 0.000 0.219 1439 S C 1.554 176.234 174.600 0.133 0.000 1.033 1439 S CA 1.310 59.522 58.200 0.020 0.000 0.974 1439 S CB -0.324 62.892 63.200 0.028 0.000 0.868 1439 S HN 0.754 nan 8.310 nan 0.000 0.459 1440 F N 0.986 120.919 119.950 -0.028 0.000 2.478 1440 F HA 0.257 4.787 4.527 0.004 0.000 0.260 1440 F C 2.258 178.070 175.800 0.022 0.000 0.974 1440 F CA -0.143 57.869 58.000 0.020 0.000 1.075 1440 F CB -0.524 38.487 39.000 0.019 0.000 1.165 1440 F HN -0.025 nan 8.300 nan 0.000 0.692 1441 Q N 1.558 120.705 119.800 -1.088 0.000 0.811 1441 Q HA -0.186 4.156 4.340 0.004 0.000 0.838 1441 Q C -0.296 175.414 176.000 -0.483 0.000 0.889 1441 Q CA 1.302 56.421 55.803 -1.139 0.000 0.876 1441 Q CB -0.810 27.504 28.738 -0.707 0.000 0.921 1441 Q HN 0.340 nan 8.270 nan 0.000 0.218 1442 N N 0.308 118.830 118.700 -0.295 0.000 2.518 1442 N HA 0.078 4.821 4.740 0.004 0.000 0.254 1442 N C 0.421 175.885 175.510 -0.076 0.000 0.979 1442 N CA 0.486 53.463 53.050 -0.122 0.000 0.930 1442 N CB 1.179 39.630 38.487 -0.060 0.000 1.152 1442 N HN 0.479 nan 8.380 nan 0.000 0.505 1443 T N -0.347 114.185 114.554 -0.038 0.000 2.803 1443 T HA -0.156 4.197 4.350 0.004 0.000 0.269 1443 T C 1.675 176.370 174.700 -0.008 0.000 1.052 1443 T CA 1.618 63.685 62.100 -0.055 0.000 1.136 1443 T CB -0.183 68.719 68.868 0.057 0.000 0.864 1443 T HN 0.323 nan 8.240 nan 0.000 0.467 1444 T N 0.476 115.109 114.554 0.132 0.000 2.652 1444 T HA -0.108 4.245 4.350 0.004 0.000 0.267 1444 T C 1.654 176.096 174.700 -0.430 0.000 1.039 1444 T CA 1.911 64.057 62.100 0.077 0.000 1.153 1444 T CB -0.487 68.650 68.868 0.448 0.000 0.863 1444 T HN 0.798 nan 8.240 nan 0.000 0.428 1445 H N 0.018 118.932 119.070 -0.260 0.000 2.268 1445 H HA 0.019 4.578 4.556 0.004 0.000 0.304 1445 H C 2.231 177.379 175.328 -0.300 0.000 1.064 1445 H CA 1.539 57.428 56.048 -0.264 0.000 1.316 1445 H CB -0.506 29.156 29.762 -0.166 0.000 1.386 1445 H HN 0.022 nan 8.280 nan 0.000 0.496 1446 V N 0.476 120.402 119.914 0.021 0.000 2.265 1446 V HA -0.368 3.755 4.120 0.004 0.000 0.259 1446 V C 2.477 178.467 176.094 -0.173 0.000 1.084 1446 V CA 2.199 64.481 62.300 -0.030 0.000 1.076 1446 V CB -0.728 31.057 31.823 -0.063 0.000 0.680 1446 V HN 0.358 nan 8.190 nan 0.000 0.452 1447 L N -1.058 119.971 121.223 -0.323 0.000 2.095 1447 L HA -0.062 4.281 4.340 0.004 0.000 0.204 1447 L C 2.531 179.073 176.870 -0.547 0.000 1.080 1447 L CA 2.186 56.748 54.840 -0.463 0.000 0.759 1447 L CB -1.185 40.603 42.059 -0.452 0.000 0.914 1447 L HN 0.307 nan 8.230 nan 0.000 0.439 1448 T N -0.785 113.383 114.554 -0.643 0.000 2.597 1448 T HA -0.298 4.055 4.350 0.004 0.000 0.267 1448 T C 1.838 176.213 174.700 -0.542 0.000 1.053 1448 T CA 2.027 63.777 62.100 -0.583 0.000 1.165 1448 T CB -0.097 68.436 68.868 -0.557 0.000 0.863 1448 T HN 0.263 nan 8.240 nan 0.000 0.427 1449 E N 0.824 120.722 120.200 -0.503 0.000 2.047 1449 E HA 0.016 4.368 4.350 0.004 0.000 0.191 1449 E C 2.261 178.638 176.600 -0.371 0.000 0.987 1449 E CA 1.203 57.349 56.400 -0.423 0.000 0.799 1449 E CB -0.543 28.967 29.700 -0.316 0.000 0.752 1449 E HN 0.418 nan 8.360 nan 0.000 0.449 1450 A N 0.552 123.163 122.820 -0.349 0.000 2.032 1450 A HA -0.156 4.166 4.320 0.004 0.000 0.221 1450 A C 2.270 179.572 177.584 -0.470 0.000 1.165 1450 A CA 2.094 53.900 52.037 -0.385 0.000 0.645 1450 A CB -0.832 17.851 19.000 -0.528 0.000 0.807 1450 A HN 0.392 nan 8.150 nan 0.000 0.453 1451 A N -0.284 122.262 122.820 -0.457 0.000 1.835 1451 A HA 0.120 4.442 4.320 0.004 0.000 0.213 1451 A C 1.887 179.310 177.584 -0.268 0.000 1.210 1451 A CA 1.234 53.060 52.037 -0.351 0.000 0.605 1451 A CB -0.711 18.110 19.000 -0.298 0.000 0.860 1451 A HN 0.339 nan 8.150 nan 0.000 0.447 1452 I N 0.540 120.898 120.570 -0.353 0.000 2.121 1452 I HA -0.285 3.888 4.170 0.004 0.000 0.243 1452 I C 1.638 177.563 176.117 -0.320 0.000 1.047 1452 I CA 1.658 62.721 61.300 -0.395 0.000 1.308 1452 I CB -0.362 37.180 38.000 -0.763 0.000 1.015 1452 I HN 0.289 nan 8.210 nan 0.000 0.410 1453 A N 0.588 123.211 122.820 -0.328 0.000 2.478 1453 A HA 0.584 4.906 4.320 0.004 0.000 0.327 1453 A C 0.840 178.335 177.584 -0.149 0.000 1.431 1453 A CA -0.091 51.819 52.037 -0.212 0.000 1.014 1453 A CB -0.685 18.188 19.000 -0.213 0.000 1.143 1453 A HN 0.376 nan 8.150 nan 0.000 0.532 1454 G N 2.305 111.056 108.800 -0.081 0.000 2.279 1454 G HA2 0.080 4.043 3.960 0.004 0.000 0.285 1454 G HA3 0.080 4.043 3.960 0.004 0.000 0.285 1454 G C 0.264 175.135 174.900 -0.048 0.000 0.910 1454 G CA 0.220 45.283 45.100 -0.061 0.000 1.477 1454 G HN 0.826 nan 8.290 nan 0.000 0.385 1455 K N 2.736 123.079 120.400 -0.095 0.000 2.262 1455 K HA 0.234 4.557 4.320 0.004 0.000 0.282 1455 K C 0.138 176.845 176.600 0.178 0.000 1.066 1455 K CA -0.638 55.662 56.287 0.021 0.000 0.901 1455 K CB 0.454 32.962 32.500 0.013 0.000 1.089 1455 K HN 0.298 nan 8.250 nan 0.000 0.476 1456 K N 3.743 124.252 120.400 0.182 0.000 2.231 1456 K HA 0.040 4.362 4.320 0.004 0.000 0.275 1456 K C -0.571 176.169 176.600 0.234 0.000 1.105 1456 K CA -0.445 55.969 56.287 0.212 0.000 0.931 1456 K CB 0.686 33.260 32.500 0.122 0.000 1.296 1456 K HN 0.500 nan 8.250 nan 0.000 0.446 1457 D N 4.196 124.790 120.400 0.323 0.000 2.385 1457 D HA -0.056 4.586 4.640 0.004 0.000 0.260 1457 D C -0.307 176.005 176.300 0.020 0.000 1.326 1457 D CA 0.293 54.343 54.000 0.083 0.000 1.023 1457 D CB 0.408 41.013 40.800 -0.324 0.000 1.083 1457 D HN 0.367 nan 8.370 nan 0.000 0.517 1458 E N 2.825 123.050 120.200 0.042 0.000 2.417 1458 E HA 0.035 4.388 4.350 0.004 0.000 0.261 1458 E C 0.112 176.705 176.600 -0.011 0.000 1.000 1458 E CA -0.013 56.405 56.400 0.030 0.000 0.919 1458 E CB 1.108 30.841 29.700 0.054 0.000 0.955 1458 E HN 0.474 nan 8.360 nan 0.000 0.455 1459 L N 6.134 127.350 121.223 -0.013 0.000 2.312 1459 L HA 0.367 4.710 4.340 0.004 0.000 0.287 1459 L C 0.384 177.242 176.870 -0.020 0.000 1.091 1459 L CA -0.159 54.661 54.840 -0.033 0.000 0.846 1459 L CB -0.621 41.420 42.059 -0.029 0.000 1.219 1459 L HN 0.298 nan 8.230 nan 0.000 0.439 1460 I N 0.104 120.648 120.570 -0.042 0.000 2.692 1460 I HA 0.973 5.146 4.170 0.004 0.000 0.293 1460 I C 0.060 176.119 176.117 -0.096 0.000 1.200 1460 I CA -0.794 60.476 61.300 -0.050 0.000 1.036 1460 I CB 2.217 40.200 38.000 -0.028 0.000 1.258 1460 I HN 0.582 nan 8.210 nan 0.000 0.421 1461 G N 3.829 112.578 108.800 -0.086 0.000 2.650 1461 G HA2 -0.085 3.877 3.960 0.004 0.000 0.686 1461 G HA3 -0.085 3.877 3.960 0.004 0.000 0.686 1461 G C -0.318 174.615 174.900 0.056 0.000 1.205 1461 G CA -0.385 44.655 45.100 -0.100 0.000 0.781 1461 G HN 0.825 nan 8.290 nan 0.000 0.648 1462 L N 0.324 121.631 121.223 0.140 0.000 2.249 1462 L HA 0.170 4.513 4.340 0.004 0.000 0.207 1462 L C 2.809 179.730 176.870 0.084 0.000 1.090 1462 L CA 1.242 56.136 54.840 0.090 0.000 0.802 1462 L CB -0.570 41.521 42.059 0.054 0.000 0.947 1462 L HN 0.626 nan 8.230 nan 0.000 0.453 1463 K N 1.528 122.007 120.400 0.131 0.000 1.971 1463 K HA -0.238 4.085 4.320 0.004 0.000 0.221 1463 K C 2.081 178.600 176.600 -0.134 0.000 1.050 1463 K CA 2.275 58.459 56.287 -0.172 0.000 0.967 1463 K CB -0.244 31.822 32.500 -0.725 0.000 0.733 1463 K HN 0.461 nan 8.250 nan 0.000 0.445 1464 E N -0.063 120.044 120.200 -0.155 0.000 2.070 1464 E HA -0.291 4.062 4.350 0.004 0.000 0.197 1464 E C 1.858 178.402 176.600 -0.093 0.000 1.004 1464 E CA 1.740 58.053 56.400 -0.144 0.000 0.805 1464 E CB -0.709 28.893 29.700 -0.164 0.000 0.744 1464 E HN 0.476 nan 8.360 nan 0.000 0.451 1465 N N 0.248 118.916 118.700 -0.053 0.000 2.520 1465 N HA -0.077 4.666 4.740 0.004 0.000 0.185 1465 N C 1.604 177.092 175.510 -0.037 0.000 1.068 1465 N CA 0.169 53.194 53.050 -0.043 0.000 0.911 1465 N CB 0.266 38.736 38.487 -0.029 0.000 0.961 1465 N HN 0.015 nan 8.380 nan 0.000 0.446 1466 V N 0.716 120.608 119.914 -0.036 0.000 2.535 1466 V HA -0.095 4.028 4.120 0.004 0.000 0.246 1466 V C 1.900 177.976 176.094 -0.030 0.000 1.045 1466 V CA 0.884 63.166 62.300 -0.030 0.000 1.058 1466 V CB -0.077 31.731 31.823 -0.025 0.000 0.689 1466 V HN 0.268 nan 8.190 nan 0.000 0.461 1467 I N -0.265 120.283 120.570 -0.035 0.000 2.264 1467 I HA -0.299 3.874 4.170 0.004 0.000 0.248 1467 I C 2.319 178.414 176.117 -0.037 0.000 1.111 1467 I CA 1.696 62.977 61.300 -0.030 0.000 1.382 1467 I CB -0.355 37.633 38.000 -0.019 0.000 1.060 1467 I HN 0.257 nan 8.210 nan 0.000 0.418 1468 L N 0.688 121.888 121.223 -0.038 0.000 2.275 1468 L HA -0.044 4.298 4.340 0.004 0.000 0.215 1468 L C 1.575 178.429 176.870 -0.026 0.000 1.119 1468 L CA 1.104 55.924 54.840 -0.032 0.000 0.790 1468 L CB -0.324 41.717 42.059 -0.031 0.000 0.919 1468 L HN 0.569 nan 8.230 nan 0.000 0.443 1469 G N 0.278 109.062 108.800 -0.026 0.000 2.136 1469 G HA2 -0.295 3.668 3.960 0.004 0.000 0.242 1469 G HA3 -0.295 3.668 3.960 0.004 0.000 0.242 1469 G C 0.414 175.300 174.900 -0.023 0.000 0.989 1469 G CA 0.276 45.363 45.100 -0.022 0.000 0.682 1469 G HN 0.397 nan 8.290 nan 0.000 0.522 1470 R N -0.270 120.214 120.500 -0.026 0.000 2.528 1470 R HA 0.615 4.957 4.340 0.004 0.000 0.271 1470 R C 0.863 177.138 176.300 -0.041 0.000 1.056 1470 R CA -0.812 55.271 56.100 -0.029 0.000 1.117 1470 R CB 0.549 30.834 30.300 -0.024 0.000 1.085 1470 R HN 0.436 nan 8.270 nan 0.000 0.530 1471 L N 2.609 123.800 121.223 -0.054 0.000 2.516 1471 L HA 0.040 4.383 4.340 0.004 0.000 0.288 1471 L C -0.256 176.574 176.870 -0.066 0.000 1.246 1471 L CA 0.567 55.360 54.840 -0.078 0.000 0.844 1471 L CB 0.250 42.243 42.059 -0.109 0.000 1.106 1471 L HN 0.411 nan 8.230 nan 0.000 0.509 1472 I N 5.566 126.092 120.570 -0.072 0.000 2.496 1472 I HA 0.136 4.309 4.170 0.004 0.000 0.285 1472 I C -1.415 174.668 176.117 -0.057 0.000 1.080 1472 I CA -1.837 59.431 61.300 -0.053 0.000 1.404 1472 I CB 0.660 38.632 38.000 -0.046 0.000 1.403 1472 I HN 0.579 nan 8.210 nan 0.000 0.539 1473 P HA -0.063 nan 4.420 nan 0.000 0.223 1473 P C -0.057 177.221 177.300 -0.036 0.000 1.144 1473 P CA 0.905 63.984 63.100 -0.035 0.000 0.783 1473 P CB 0.430 32.116 31.700 -0.023 0.000 0.771 1474 A N -1.848 120.948 122.820 -0.040 0.000 2.380 1474 A HA 0.732 5.054 4.320 0.004 0.000 0.315 1474 A C 0.768 178.329 177.584 -0.038 0.000 1.101 1474 A CA -0.065 51.949 52.037 -0.038 0.000 0.771 1474 A CB 1.133 20.108 19.000 -0.043 0.000 1.287 1474 A HN 0.256 nan 8.150 nan 0.000 0.436 1475 G N 0.149 108.933 108.800 -0.026 0.000 3.138 1475 G HA2 -0.208 3.755 3.960 0.004 0.000 0.247 1475 G HA3 -0.208 3.755 3.960 0.004 0.000 0.247 1475 G C 0.980 175.877 174.900 -0.005 0.000 1.642 1475 G CA 0.850 45.943 45.100 -0.013 0.000 1.087 1475 G HN 1.294 nan 8.290 nan 0.000 0.558 1476 T N 1.537 116.075 114.554 -0.027 0.000 3.009 1476 T HA 0.301 4.653 4.350 0.004 0.000 0.258 1476 T C 2.171 176.789 174.700 -0.138 0.000 1.063 1476 T CA 1.862 63.935 62.100 -0.045 0.000 1.139 1476 T CB -0.149 68.674 68.868 -0.075 0.000 0.890 1476 T HN 1.248 nan 8.240 nan 0.000 0.471 1477 G N 2.153 110.867 108.800 -0.144 0.000 2.920 1477 G HA2 0.055 4.018 3.960 0.004 0.000 0.208 1477 G HA3 0.055 4.018 3.960 0.004 0.000 0.208 1477 G C 0.688 175.505 174.900 -0.139 0.000 1.159 1477 G CA 0.015 45.014 45.100 -0.169 0.000 0.784 1477 G HN 0.556 nan 8.290 nan 0.000 0.535 1478 S N 0.523 116.171 115.700 -0.086 0.000 2.544 1478 S HA 0.021 4.493 4.470 0.004 0.000 0.290 1478 S C 0.693 175.262 174.600 -0.052 0.000 1.276 1478 S CA -0.160 58.022 58.200 -0.030 0.000 1.075 1478 S CB 1.182 64.401 63.200 0.032 0.000 0.849 1478 S HN 0.105 nan 8.310 nan 0.000 0.494 1479 D N 1.378 121.784 120.400 0.009 0.000 2.315 1479 D HA -0.082 4.560 4.640 0.004 0.000 0.211 1479 D C 0.935 177.347 176.300 0.186 0.000 0.977 1479 D CA 0.765 54.803 54.000 0.065 0.000 0.894 1479 D CB -0.287 40.642 40.800 0.215 0.000 0.910 1479 D HN 0.699 nan 8.370 nan 0.000 0.490 1480 F N -0.078 119.878 119.950 0.011 0.000 2.325 1480 F HA -0.078 4.453 4.527 0.005 0.000 0.299 1480 F C 1.722 177.536 175.800 0.024 0.000 1.090 1480 F CA 0.810 58.838 58.000 0.047 0.000 1.392 1480 F CB 0.489 39.504 39.000 0.024 0.000 1.053 1480 F HN -0.168 nan 8.300 nan 0.000 0.521 1481 V N -1.629 118.292 119.914 0.013 0.000 3.382 1481 V HA 0.136 4.259 4.120 0.004 0.000 0.296 1481 V C 1.660 177.625 176.094 -0.214 0.000 1.529 1481 V CA -0.140 62.119 62.300 -0.067 0.000 1.048 1481 V CB 0.009 31.849 31.823 0.030 0.000 0.878 1481 V HN 0.021 nan 8.190 nan 0.000 0.442 1482 R N 1.133 121.319 120.500 -0.524 0.000 2.139 1482 R HA -0.086 4.257 4.340 0.004 0.000 0.243 1482 R C -0.015 175.895 176.300 -0.651 0.000 1.145 1482 R CA 1.585 57.228 56.100 -0.762 0.000 0.976 1482 R CB -0.157 29.330 30.300 -1.355 0.000 0.866 1482 R HN 0.551 nan 8.270 nan 0.000 0.449 1483 F N -0.048 119.908 119.950 0.010 0.000 2.347 1483 F HA 0.418 4.949 4.527 0.007 0.000 0.366 1483 F C -0.454 175.338 175.800 -0.014 0.000 1.107 1483 F CA -0.802 57.199 58.000 0.002 0.000 1.058 1483 F CB 1.757 40.749 39.000 -0.012 0.000 1.236 1483 F HN -0.334 nan 8.300 nan 0.000 0.456 1484 T N 2.765 117.401 114.554 0.137 0.000 3.395 1484 T HA 0.287 4.639 4.350 0.004 0.000 0.330 1484 T C -0.846 173.897 174.700 0.072 0.000 1.076 1484 T CA -1.002 61.144 62.100 0.076 0.000 1.070 1484 T CB 1.624 70.517 68.868 0.042 0.000 1.119 1484 T HN 0.505 nan 8.240 nan 0.000 0.462 1485 Q N 1.398 121.230 119.800 0.053 0.000 2.248 1485 Q HA 0.849 5.192 4.340 0.004 0.000 0.263 1485 Q C -0.806 175.207 176.000 0.022 0.000 1.007 1485 Q CA -1.165 54.663 55.803 0.043 0.000 0.877 1485 Q CB 2.585 31.348 28.738 0.041 0.000 1.315 1485 Q HN 0.374 nan 8.270 nan 0.000 0.454 1486 V N 1.161 121.085 119.914 0.016 0.000 2.715 1486 V HA 0.595 4.717 4.120 0.004 0.000 0.310 1486 V C -0.432 175.664 176.094 0.004 0.000 1.054 1486 V CA -0.661 61.641 62.300 0.004 0.000 0.928 1486 V CB 2.075 33.894 31.823 -0.007 0.000 1.007 1486 V HN 0.539 nan 8.190 nan 0.000 0.437 1487 V N 1.978 121.893 119.914 0.000 0.000 3.078 1487 V HA 0.578 4.701 4.120 0.004 0.000 0.311 1487 V C -1.557 174.536 176.094 -0.002 0.000 1.138 1487 V CA -0.803 61.497 62.300 0.001 0.000 1.007 1487 V CB 2.705 34.529 31.823 0.002 0.000 1.045 1487 V HN 0.983 nan 8.190 nan 0.000 0.432 1488 D N 2.390 122.789 120.400 -0.001 0.000 2.391 1488 D HA 0.288 4.931 4.640 0.004 0.000 0.245 1488 D C 0.470 176.769 176.300 -0.001 0.000 1.069 1488 D CA -0.685 53.314 54.000 -0.002 0.000 0.831 1488 D CB 1.998 42.797 40.800 -0.002 0.000 1.204 1488 D HN 0.304 nan 8.370 nan 0.000 0.503 1489 Q N 1.181 120.980 119.800 -0.002 0.000 2.325 1489 Q HA -0.195 4.147 4.340 0.004 0.000 0.211 1489 Q C 1.268 177.268 176.000 -0.001 0.000 0.988 1489 Q CA 1.349 57.151 55.803 -0.001 0.000 0.887 1489 Q CB -0.023 28.714 28.738 -0.002 0.000 0.915 1489 Q HN 0.561 nan 8.270 nan 0.000 0.440 1490 K N -0.603 119.797 120.400 -0.001 0.000 2.103 1490 K HA -0.026 4.297 4.320 0.004 0.000 0.204 1490 K C 1.921 178.521 176.600 0.001 0.000 1.052 1490 K CA 1.505 57.792 56.287 -0.000 0.000 0.945 1490 K CB -0.033 32.467 32.500 -0.000 0.000 0.722 1490 K HN 0.133 nan 8.250 nan 0.000 0.443 1491 T N 1.891 116.446 114.554 0.001 0.000 3.067 1491 T HA 0.028 4.381 4.350 0.004 0.000 0.261 1491 T C 1.583 176.285 174.700 0.002 0.000 1.110 1491 T CA 0.183 62.284 62.100 0.002 0.000 1.113 1491 T CB 0.084 68.954 68.868 0.003 0.000 0.917 1491 T HN 0.046 nan 8.240 nan 0.000 0.499 1492 L N 1.250 122.474 121.223 0.002 0.000 2.109 1492 L HA 0.066 4.409 4.340 0.004 0.000 0.207 1492 L C 1.895 178.766 176.870 0.001 0.000 1.086 1492 L CA 1.780 56.620 54.840 0.001 0.000 0.760 1492 L CB -0.504 41.555 42.059 0.000 0.000 0.910 1492 L HN 0.098 nan 8.230 nan 0.000 0.437 1493 K N 0.005 120.405 120.400 0.001 0.000 2.167 1493 K HA 0.073 4.396 4.320 0.004 0.000 0.203 1493 K C 2.043 178.644 176.600 0.001 0.000 1.052 1493 K CA 1.071 57.359 56.287 0.001 0.000 0.956 1493 K CB -0.291 32.210 32.500 0.001 0.000 0.735 1493 K HN 0.295 nan 8.250 nan 0.000 0.451 1494 A N 1.399 124.220 122.820 0.002 0.000 1.933 1494 A HA -0.118 4.205 4.320 0.004 0.000 0.218 1494 A C 2.158 179.743 177.584 0.003 0.000 1.175 1494 A CA 1.185 53.223 52.037 0.002 0.000 0.628 1494 A CB -0.406 18.595 19.000 0.003 0.000 0.814 1494 A HN 0.112 nan 8.150 nan 0.000 0.444 1495 I N -0.004 120.568 120.570 0.003 0.000 2.353 1495 I HA -0.168 4.004 4.170 0.004 0.000 0.248 1495 I C 2.343 178.461 176.117 0.002 0.000 1.119 1495 I CA 1.723 63.025 61.300 0.003 0.000 1.417 1495 I CB -0.282 37.720 38.000 0.003 0.000 1.078 1495 I HN 0.591 nan 8.210 nan 0.000 0.421 1496 E N 0.768 120.969 120.200 0.002 0.000 2.150 1496 E HA -0.215 4.137 4.350 0.004 0.000 0.193 1496 E C 1.795 178.396 176.600 0.001 0.000 0.985 1496 E CA 1.376 57.776 56.400 0.001 0.000 0.814 1496 E CB -0.288 29.412 29.700 0.001 0.000 0.752 1496 E HN 0.353 nan 8.360 nan 0.000 0.466 1497 E N 0.360 120.561 120.200 0.002 0.000 2.204 1497 E HA -0.094 4.258 4.350 0.004 0.000 0.194 1497 E C 1.908 178.509 176.600 0.002 0.000 0.989 1497 E CA 1.122 57.523 56.400 0.002 0.000 0.824 1497 E CB -0.234 29.467 29.700 0.002 0.000 0.756 1497 E HN 0.492 nan 8.360 nan 0.000 0.477 1498 A N 1.257 124.078 122.820 0.002 0.000 2.016 1498 A HA -0.069 4.253 4.320 0.004 0.000 0.217 1498 A C 2.073 179.658 177.584 0.002 0.000 1.162 1498 A CA 0.503 52.541 52.037 0.002 0.000 0.662 1498 A CB -0.116 18.886 19.000 0.003 0.000 0.812 1498 A HN 0.064 nan 8.150 nan 0.000 0.450 1499 R N -0.162 120.338 120.500 0.001 0.000 2.119 1499 R HA 0.037 4.380 4.340 0.004 0.000 0.222 1499 R C 1.849 178.150 176.300 0.001 0.000 1.088 1499 R CA 1.081 57.182 56.100 0.001 0.000 0.984 1499 R CB -0.242 30.058 30.300 0.001 0.000 0.884 1499 R HN 0.406 nan 8.270 nan 0.000 0.447 1500 K N 1.289 121.690 120.400 0.001 0.000 2.097 1500 K HA -0.143 4.179 4.320 0.004 0.000 0.205 1500 K C 2.068 178.669 176.600 0.001 0.000 1.050 1500 K CA 1.168 57.456 56.287 0.001 0.000 0.938 1500 K CB 0.054 32.555 32.500 0.001 0.000 0.718 1500 K HN 0.220 nan 8.250 nan 0.000 0.442 1501 E N 0.788 120.989 120.200 0.002 0.000 2.338 1501 E HA -0.141 4.211 4.350 0.004 0.000 0.197 1501 E C 1.508 178.109 176.600 0.002 0.000 1.007 1501 E CA 0.807 57.208 56.400 0.002 0.000 0.849 1501 E CB 0.041 29.742 29.700 0.002 0.000 0.774 1501 E HN 0.244 nan 8.360 nan 0.000 0.506 1502 A N 1.170 123.991 122.820 0.002 0.000 2.067 1502 A HA 0.014 4.337 4.320 0.004 0.000 0.219 1502 A C 1.305 178.890 177.584 0.001 0.000 1.158 1502 A CA 0.503 52.541 52.037 0.002 0.000 0.661 1502 A CB -0.299 18.702 19.000 0.001 0.000 0.801 1502 A HN 0.135 nan 8.150 nan 0.000 0.452 1503 V N 2.620 122.535 119.914 0.001 0.000 2.434 1503 V HA 0.022 4.145 4.120 0.004 0.000 0.281 1503 V C -0.024 176.071 176.094 0.001 0.000 1.005 1503 V CA -0.105 62.196 62.300 0.001 0.000 1.089 1503 V CB -0.031 31.792 31.823 0.001 0.000 0.978 1503 V HN 0.377 nan 8.190 nan 0.000 0.474 1504 E N 4.118 124.319 120.200 0.002 0.000 2.289 1504 E HA 0.562 4.915 4.350 0.004 0.000 0.278 1504 E C 0.707 177.308 176.600 0.002 0.000 1.032 1504 E CA 0.658 57.059 56.400 0.002 0.000 0.854 1504 E CB 1.291 30.992 29.700 0.002 0.000 1.046 1504 E HN 0.976 nan 8.360 nan 0.000 0.409 1505 A N 0.000 122.821 122.820 0.002 0.000 2.254 1505 A HA 0.000 4.323 4.320 0.004 0.000 0.244 1505 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1505 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486