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 3dxj_1_D DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKDYECACG KYKRQRFEGK VCERCGVEVT KSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLSAT ELEQVLYFSK YIVLDPKGAI LNGVPVEKRQ DATA SEQUENCE LLTDEEYREL RYGKQETYPL PPGVDALVKD GEEVVKGQEL APGVVSRLDG DATA SEQUENCE VALYRFPRRV RVEYVKKERA GLRLPLAAWV EKEAYKPGEI LAELPEPYLF DATA SEQUENCE RAEEEGVVEL KELEEGAFLV LRREDEPVAT YFLPVGMTPL VVHGEIVEKG DATA SEQUENCE QPLAEAKGLL RMPRQVRAAQ VEAEEEGETV YLTLFLEWTE PKDYRVQPHM DATA SEQUENCE NVVVPEGARV EAGDKIVAAI DPEEEVIAEA EGVVHLHEPA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLTMRTF HTGGVAGAAD DATA SEQUENCE ITQGLPRVIE LFEARRPKAK AVISEIDGVV RIEETEEKLS VFVESEGFSK DATA SEQUENCE EYKLPKEARL LVKDGDYVEA GQPLTRGAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.608 176.600 0.013 0.000 0.988 2 K CA 0.000 56.294 56.287 0.011 0.000 0.838 2 K CB 0.000 32.507 32.500 0.012 0.000 1.064 3 K N 0.414 120.822 120.400 0.013 0.000 2.137 3 K HA 0.412 4.627 4.320 -0.177 0.000 0.251 3 K C -0.998 175.612 176.600 0.015 0.000 1.048 3 K CA -0.858 55.439 56.287 0.018 0.000 0.873 3 K CB 1.565 34.077 32.500 0.020 0.000 1.442 3 K HN 0.097 nan 8.250 nan 0.000 0.467 4 E N -0.426 119.786 120.200 0.020 0.000 2.423 4 E HA 0.570 4.814 4.350 -0.177 0.000 0.269 4 E C -1.283 175.328 176.600 0.018 0.000 0.948 4 E CA -1.167 55.243 56.400 0.016 0.000 0.802 4 E CB 2.209 31.920 29.700 0.017 0.000 1.339 4 E HN 0.288 nan 8.360 nan 0.000 0.445 5 V N 0.071 119.992 119.914 0.013 0.000 3.177 5 V HA 0.564 4.578 4.120 -0.177 0.000 0.319 5 V C -0.213 175.889 176.094 0.014 0.000 1.125 5 V CA -0.661 61.647 62.300 0.013 0.000 1.029 5 V CB 1.708 33.534 31.823 0.006 0.000 1.119 5 V HN 0.824 nan 8.190 nan 0.000 0.452 6 R N 1.170 121.679 120.500 0.016 0.000 2.468 6 R HA 0.357 4.591 4.340 -0.177 0.000 0.352 6 R C -0.969 175.336 176.300 0.008 0.000 0.858 6 R CA -0.141 55.967 56.100 0.014 0.000 1.108 6 R CB 0.620 30.937 30.300 0.029 0.000 1.741 6 R HN 0.584 nan 8.270 nan 0.000 0.504 7 K N 0.825 121.232 120.400 0.011 0.000 2.571 7 K HA 0.331 4.545 4.320 -0.177 0.000 0.252 7 K C -1.303 175.322 176.600 0.042 0.000 0.956 7 K CA -0.544 55.756 56.287 0.021 0.000 0.822 7 K CB 3.237 35.766 32.500 0.049 0.000 1.286 7 K HN -0.214 nan 8.250 nan 0.000 0.439 8 V N 2.608 122.540 119.914 0.030 0.000 2.547 8 V HA 0.511 4.525 4.120 -0.177 0.000 0.299 8 V C -0.018 176.351 176.094 0.457 0.000 1.040 8 V CA -0.771 61.605 62.300 0.128 0.000 0.913 8 V CB 1.717 33.528 31.823 -0.021 0.000 0.992 8 V HN 0.684 nan 8.190 nan 0.000 0.449 9 R N 3.571 124.358 120.500 0.479 0.000 2.873 9 R HA 0.815 5.049 4.340 -0.177 0.000 0.264 9 R C -1.506 174.885 176.300 0.152 0.000 1.026 9 R CA -0.741 55.587 56.100 0.379 0.000 1.002 9 R CB 1.928 32.324 30.300 0.161 0.000 1.174 9 R HN 0.740 nan 8.270 nan 0.000 0.488 10 I N 2.198 122.600 120.570 -0.280 0.000 2.590 10 I HA 0.513 4.577 4.170 -0.177 0.000 0.283 10 I C -1.878 174.070 176.117 -0.282 0.000 1.154 10 I CA -0.242 60.810 61.300 -0.413 0.000 1.067 10 I CB 1.581 38.944 38.000 -1.062 0.000 1.243 10 I HN 0.837 nan 8.210 nan 0.000 0.451 11 A N 7.132 129.888 122.820 -0.108 0.000 2.515 11 A HA 0.780 4.994 4.320 -0.177 0.000 0.296 11 A C -0.684 176.900 177.584 0.001 0.000 1.094 11 A CA -0.798 51.209 52.037 -0.050 0.000 0.718 11 A CB 1.523 20.525 19.000 0.004 0.000 1.307 11 A HN 0.686 nan 8.150 nan 0.000 0.408 12 L N 0.173 121.413 121.223 0.028 0.000 2.371 12 L HA 0.384 4.618 4.340 -0.177 0.000 0.234 12 L C 0.836 177.670 176.870 -0.060 0.000 1.230 12 L CA -0.046 54.812 54.840 0.030 0.000 0.825 12 L CB 0.029 42.157 42.059 0.116 0.000 1.157 12 L HN 0.795 nan 8.230 nan 0.000 0.565 13 A N 0.204 122.927 122.820 -0.162 0.000 2.304 13 A HA 0.494 4.708 4.320 -0.177 0.000 0.314 13 A C -0.204 176.966 177.584 -0.690 0.000 1.187 13 A CA -0.407 51.423 52.037 -0.344 0.000 0.810 13 A CB 0.869 19.716 19.000 -0.255 0.000 1.183 13 A HN 0.592 nan 8.150 nan 0.000 0.487 14 S N 4.389 119.557 115.700 -0.885 0.000 2.525 14 S HA 0.152 4.516 4.470 -0.177 0.000 0.285 14 S C -1.562 172.544 174.600 -0.823 0.000 1.283 14 S CA -0.395 57.096 58.200 -1.182 0.000 1.072 14 S CB 0.703 63.388 63.200 -0.860 0.000 0.867 14 S HN 0.568 nan 8.310 nan 0.000 0.492 15 P HA -0.161 nan 4.420 nan 0.000 0.217 15 P C 0.947 177.964 177.300 -0.471 0.000 1.148 15 P CA 1.098 63.930 63.100 -0.446 0.000 0.828 15 P CB 0.186 31.723 31.700 -0.272 0.000 0.783 16 E N -0.183 119.735 120.200 -0.470 0.000 2.017 16 E HA -0.188 4.056 4.350 -0.177 0.000 0.193 16 E C 1.916 178.220 176.600 -0.493 0.000 0.997 16 E CA 1.325 57.492 56.400 -0.388 0.000 0.804 16 E CB -0.953 28.563 29.700 -0.307 0.000 0.757 16 E HN 0.207 nan 8.360 nan 0.000 0.448 17 K N 0.503 120.547 120.400 -0.592 0.000 2.020 17 K HA -0.182 4.032 4.320 -0.177 0.000 0.212 17 K C 2.093 177.902 176.600 -1.318 0.000 1.050 17 K CA 1.626 57.458 56.287 -0.757 0.000 0.929 17 K CB -0.332 31.768 32.500 -0.667 0.000 0.714 17 K HN 0.059 nan 8.250 nan 0.000 0.443 18 I N 0.862 120.709 120.570 -1.204 0.000 2.068 18 I HA -0.388 3.676 4.170 -0.177 0.000 0.238 18 I C 2.390 178.061 176.117 -0.745 0.000 1.046 18 I CA 1.716 62.349 61.300 -1.111 0.000 1.306 18 I CB -0.501 37.140 38.000 -0.598 0.000 1.023 18 I HN 0.238 nan 8.210 nan 0.000 0.399 19 R N 0.837 120.981 120.500 -0.593 0.000 2.211 19 R HA -0.150 4.084 4.340 -0.177 0.000 0.240 19 R C 2.320 178.402 176.300 -0.363 0.000 1.144 19 R CA 1.669 57.462 56.100 -0.513 0.000 0.992 19 R CB -0.591 29.444 30.300 -0.441 0.000 0.869 19 R HN 0.554 nan 8.270 nan 0.000 0.462 20 S N -0.565 114.887 115.700 -0.413 0.000 2.555 20 S HA -0.072 4.293 4.470 -0.177 0.000 0.230 20 S C 1.140 175.748 174.600 0.014 0.000 0.978 20 S CA 0.112 58.174 58.200 -0.230 0.000 0.934 20 S CB -0.124 62.938 63.200 -0.230 0.000 0.766 20 S HN 0.393 nan 8.310 nan 0.000 0.533 21 W N 2.343 123.574 121.300 -0.115 0.000 2.846 21 W HA 0.385 4.939 4.660 -0.176 0.000 0.273 21 W C 1.105 177.622 176.519 -0.003 0.000 1.081 21 W CA -0.037 57.287 57.345 -0.035 0.000 1.692 21 W CB -1.594 27.877 29.460 0.017 0.000 1.106 21 W HN 0.390 nan 8.180 nan 0.000 0.577 22 S N 1.643 117.486 115.700 0.238 0.000 3.074 22 S HA -0.220 4.144 4.470 -0.177 0.000 0.359 22 S C -0.201 174.470 174.600 0.117 0.000 1.207 22 S CA 0.163 58.492 58.200 0.215 0.000 1.061 22 S CB -0.610 62.734 63.200 0.241 0.000 0.769 22 S HN 0.177 nan 8.310 nan 0.000 0.512 23 Y N 3.790 124.087 120.300 -0.005 0.000 2.740 23 Y HA 0.464 4.909 4.550 -0.177 0.000 0.356 23 Y C 1.555 177.372 175.900 -0.139 0.000 1.101 23 Y CA 0.602 58.659 58.100 -0.071 0.000 1.477 23 Y CB -0.401 37.997 38.460 -0.104 0.000 1.296 23 Y HN 1.278 nan 8.280 nan 0.000 0.507 24 G N 0.181 109.004 108.800 0.039 0.000 2.347 24 G HA2 0.044 3.898 3.960 -0.177 0.000 0.477 24 G HA3 0.044 3.898 3.960 -0.177 0.000 0.477 24 G C -1.637 173.264 174.900 0.001 0.000 1.349 24 G CA -1.108 43.979 45.100 -0.020 0.000 1.000 24 G HN 0.115 nan 8.290 nan 0.000 0.605 25 E N -0.526 119.592 120.200 -0.136 0.000 2.234 25 E HA 0.585 4.829 4.350 -0.177 0.000 0.266 25 E C -0.474 175.971 176.600 -0.258 0.000 0.877 25 E CA -0.863 55.291 56.400 -0.410 0.000 0.758 25 E CB 2.097 31.459 29.700 -0.563 0.000 1.170 25 E HN 0.517 nan 8.360 nan 0.000 0.415 26 V N 4.822 124.599 119.914 -0.228 0.000 2.508 26 V HA 0.061 4.075 4.120 -0.177 0.000 0.281 26 V C 0.544 176.573 176.094 -0.108 0.000 1.041 26 V CA 0.538 62.774 62.300 -0.107 0.000 1.016 26 V CB 1.042 32.827 31.823 -0.064 0.000 0.984 26 V HN 0.871 nan 8.190 nan 0.000 0.478 27 E N 2.605 122.768 120.200 -0.063 0.000 2.441 27 E HA 0.163 4.407 4.350 -0.177 0.000 0.212 27 E C -0.220 176.370 176.600 -0.017 0.000 0.840 27 E CA -0.177 56.196 56.400 -0.045 0.000 1.143 27 E CB 0.646 30.322 29.700 -0.041 0.000 1.153 27 E HN 0.484 nan 8.360 nan 0.000 0.539 28 K N 1.214 121.611 120.400 -0.005 0.000 2.244 28 K HA 0.294 4.508 4.320 -0.177 0.000 0.260 28 K C -2.352 174.261 176.600 0.022 0.000 0.951 28 K CA -2.536 53.758 56.287 0.012 0.000 0.826 28 K CB 1.560 34.071 32.500 0.018 0.000 1.108 28 K HN -0.239 nan 8.250 nan 0.000 0.433 29 P HA -0.135 nan 4.420 nan 0.000 0.215 29 P C -0.564 176.765 177.300 0.048 0.000 1.157 29 P CA 1.027 64.148 63.100 0.036 0.000 0.863 29 P CB 0.201 31.922 31.700 0.035 0.000 0.787 30 E N 0.017 120.243 120.200 0.043 0.000 3.379 30 E HA -0.114 4.130 4.350 -0.177 0.000 0.257 30 E C 1.262 177.906 176.600 0.073 0.000 0.882 30 E CA 0.815 57.243 56.400 0.046 0.000 0.962 30 E CB -0.438 29.285 29.700 0.039 0.000 0.900 30 E HN 0.367 nan 8.360 nan 0.000 0.560 31 T N 1.184 115.772 114.554 0.056 0.000 2.849 31 T HA 0.143 4.387 4.350 -0.177 0.000 0.230 31 T C 0.931 175.611 174.700 -0.035 0.000 1.071 31 T CA 0.191 62.334 62.100 0.072 0.000 1.559 31 T CB 0.177 69.028 68.868 -0.028 0.000 1.141 31 T HN 0.365 nan 8.240 nan 0.000 0.417 32 I N 2.112 122.577 120.570 -0.174 0.000 2.647 32 I HA 0.309 4.373 4.170 -0.177 0.000 0.295 32 I C -0.495 175.544 176.117 -0.130 0.000 1.078 32 I CA -1.141 60.026 61.300 -0.221 0.000 1.048 32 I CB 2.247 39.989 38.000 -0.429 0.000 1.239 32 I HN 0.531 nan 8.210 nan 0.000 0.421 33 N N 5.165 123.805 118.700 -0.100 0.000 2.497 33 N HA -0.059 4.575 4.740 -0.177 0.000 0.268 33 N C 0.417 175.870 175.510 -0.096 0.000 1.171 33 N CA 0.114 53.120 53.050 -0.073 0.000 0.948 33 N CB 1.042 39.464 38.487 -0.108 0.000 1.069 33 N HN 0.686 nan 8.380 nan 0.000 0.460 34 Y N 4.588 124.834 120.300 -0.090 0.000 2.286 34 Y HA 0.057 4.501 4.550 -0.177 0.000 0.293 34 Y C 2.458 178.348 175.900 -0.015 0.000 1.124 34 Y CA 0.844 58.902 58.100 -0.070 0.000 1.178 34 Y CB -0.299 38.146 38.460 -0.026 0.000 1.010 34 Y HN 0.649 nan 8.280 nan 0.000 0.536 35 R N 0.700 120.511 120.500 -1.148 0.000 2.127 35 R HA -0.082 4.152 4.340 -0.177 0.000 0.238 35 R C 0.497 176.633 176.300 -0.274 0.000 1.134 35 R CA 1.998 57.659 56.100 -0.732 0.000 0.975 35 R CB -0.966 28.895 30.300 -0.731 0.000 0.865 35 R HN 0.391 nan 8.270 nan 0.000 0.447 36 T N 0.026 114.446 114.554 -0.223 0.000 3.087 36 T HA 0.332 4.576 4.350 -0.177 0.000 0.283 36 T C -0.007 174.638 174.700 -0.092 0.000 0.956 36 T CA -0.170 61.859 62.100 -0.118 0.000 0.894 36 T CB 0.343 69.147 68.868 -0.106 0.000 1.160 36 T HN 0.232 nan 8.240 nan 0.000 0.532 37 L N 0.945 122.098 121.223 -0.117 0.000 3.573 37 L HA -0.141 4.093 4.340 -0.177 0.000 0.578 37 L C -0.899 175.887 176.870 -0.140 0.000 1.299 37 L CA 0.234 54.986 54.840 -0.147 0.000 0.914 37 L CB -1.453 40.550 42.059 -0.094 0.000 1.563 37 L HN 0.171 nan 8.230 nan 0.000 0.860 38 K N 0.622 120.944 120.400 -0.131 0.000 2.274 38 K HA 0.504 4.718 4.320 -0.177 0.000 0.262 38 K C -2.293 174.260 176.600 -0.078 0.000 0.961 38 K CA -2.381 53.851 56.287 -0.091 0.000 0.833 38 K CB 1.324 33.784 32.500 -0.067 0.000 1.102 38 K HN -0.210 nan 8.250 nan 0.000 0.436 39 P HA -0.069 nan 4.420 nan 0.000 0.247 39 P C -0.240 177.098 177.300 0.063 0.000 1.147 39 P CA 0.207 63.333 63.100 0.043 0.000 0.964 39 P CB 0.063 31.838 31.700 0.124 0.000 0.944 40 E N 3.677 123.905 120.200 0.046 0.000 2.708 40 E HA -0.112 4.132 4.350 -0.177 0.000 0.260 40 E C 0.377 177.016 176.600 0.066 0.000 0.937 40 E CA 0.452 56.878 56.400 0.044 0.000 0.953 40 E CB 0.209 29.935 29.700 0.043 0.000 0.915 40 E HN 0.143 nan 8.360 nan 0.000 0.487 41 R N 3.696 124.221 120.500 0.041 0.000 2.585 41 R HA -0.062 4.172 4.340 -0.177 0.000 0.275 41 R C -0.021 176.302 176.300 0.038 0.000 1.018 41 R CA 0.441 56.564 56.100 0.038 0.000 1.072 41 R CB 0.060 30.372 30.300 0.020 0.000 0.953 41 R HN 0.712 nan 8.270 nan 0.000 0.419 42 D N -0.017 120.404 120.400 0.035 0.000 3.067 42 D HA -0.175 4.359 4.640 -0.177 0.000 0.216 42 D C 0.719 177.042 176.300 0.039 0.000 1.162 42 D CA 1.935 55.946 54.000 0.020 0.000 0.960 42 D CB -0.601 40.200 40.800 0.003 0.000 1.129 42 D HN 0.777 nan 8.370 nan 0.000 0.408 43 G N -0.451 108.395 108.800 0.076 0.000 2.509 43 G HA2 0.478 4.332 3.960 -0.177 0.000 0.269 43 G HA3 0.478 4.332 3.960 -0.177 0.000 0.269 43 G C 1.325 176.298 174.900 0.122 0.000 1.416 43 G CA -0.464 44.690 45.100 0.089 0.000 1.052 43 G HN 0.174 nan 8.290 nan 0.000 0.542 44 L N -1.286 119.993 121.223 0.093 0.000 2.376 44 L HA 0.138 4.373 4.340 -0.177 0.000 0.219 44 L C 1.457 178.048 176.870 -0.466 0.000 1.133 44 L CA 0.767 55.537 54.840 -0.116 0.000 0.816 44 L CB -0.094 41.882 42.059 -0.138 0.000 0.933 44 L HN 0.331 nan 8.230 nan 0.000 0.449 45 F N -2.051 117.845 119.950 -0.090 0.000 2.746 45 F HA 0.142 4.564 4.527 -0.177 0.000 0.320 45 F C 0.674 176.550 175.800 0.127 0.000 1.097 45 F CA -1.247 56.666 58.000 -0.145 0.000 1.195 45 F CB -0.041 38.867 39.000 -0.152 0.000 1.056 45 F HN -0.139 nan 8.300 nan 0.000 0.562 46 D N 2.457 123.069 120.400 0.353 0.000 2.497 46 D HA -0.140 4.394 4.640 -0.177 0.000 0.285 46 D C 1.550 178.028 176.300 0.296 0.000 1.452 46 D CA 0.401 54.551 54.000 0.249 0.000 1.132 46 D CB 0.208 41.101 40.800 0.155 0.000 1.132 46 D HN 0.609 nan 8.370 nan 0.000 0.555 47 E N 2.936 123.278 120.200 0.236 0.000 2.501 47 E HA -0.246 3.998 4.350 -0.177 0.000 0.203 47 E C 1.234 177.883 176.600 0.082 0.000 1.072 47 E CA 0.505 57.023 56.400 0.198 0.000 0.885 47 E CB -0.017 29.755 29.700 0.120 0.000 0.813 47 E HN 0.521 nan 8.360 nan 0.000 0.556 48 R N 0.422 120.947 120.500 0.042 0.000 2.115 48 R HA -0.006 4.228 4.340 -0.177 0.000 0.230 48 R C 2.213 178.465 176.300 -0.080 0.000 1.111 48 R CA 1.402 57.493 56.100 -0.016 0.000 0.976 48 R CB -0.178 30.111 30.300 -0.018 0.000 0.870 48 R HN 0.334 nan 8.270 nan 0.000 0.445 49 I N -0.626 119.830 120.570 -0.191 0.000 2.385 49 I HA -0.121 3.943 4.170 -0.177 0.000 0.244 49 I C 1.403 177.191 176.117 -0.549 0.000 1.089 49 I CA 1.162 62.170 61.300 -0.487 0.000 1.410 49 I CB -0.136 37.239 38.000 -1.042 0.000 1.117 49 I HN 0.007 nan 8.210 nan 0.000 0.429 50 F N 1.126 121.040 119.950 -0.060 0.000 2.664 50 F HA 0.391 4.812 4.527 -0.177 0.000 0.296 50 F C 1.279 177.001 175.800 -0.131 0.000 1.125 50 F CA 0.410 58.337 58.000 -0.121 0.000 1.444 50 F CB -0.480 38.435 39.000 -0.143 0.000 1.114 50 F HN 0.173 nan 8.300 nan 0.000 0.576 51 G N -0.376 108.456 108.800 0.053 0.000 2.408 51 G HA2 -0.011 3.843 3.960 -0.177 0.000 0.682 51 G HA3 -0.011 3.843 3.960 -0.177 0.000 0.682 51 G C -3.145 171.763 174.900 0.014 0.000 1.303 51 G CA -1.594 43.506 45.100 -0.000 0.000 0.966 51 G HN -0.162 nan 8.290 nan 0.000 0.560 52 P HA 0.359 nan 4.420 nan 0.000 0.267 52 P C 0.843 178.142 177.300 -0.003 0.000 1.200 52 P CA -0.161 62.933 63.100 -0.010 0.000 0.772 52 P CB 0.467 32.148 31.700 -0.032 0.000 0.855 53 I N 0.497 121.074 120.570 0.011 0.000 3.783 53 I HA 0.053 4.117 4.170 -0.177 0.000 0.310 53 I C 0.674 176.795 176.117 0.007 0.000 1.274 53 I CA 0.725 62.032 61.300 0.010 0.000 1.294 53 I CB -0.013 37.998 38.000 0.019 0.000 1.051 53 I HN 0.217 nan 8.210 nan 0.000 0.435 54 K N 2.177 122.585 120.400 0.013 0.000 2.483 54 K HA 0.227 4.441 4.320 -0.177 0.000 0.256 54 K C -0.939 175.686 176.600 0.041 0.000 0.961 54 K CA -0.643 55.662 56.287 0.029 0.000 0.873 54 K CB 1.404 33.925 32.500 0.035 0.000 1.107 54 K HN -0.016 nan 8.250 nan 0.000 0.432 55 D N 2.578 123.009 120.400 0.051 0.000 2.730 55 D HA -0.160 4.374 4.640 -0.177 0.000 0.225 55 D C -0.207 176.209 176.300 0.194 0.000 1.107 55 D CA 1.236 55.274 54.000 0.063 0.000 0.837 55 D CB 0.162 41.055 40.800 0.155 0.000 1.171 55 D HN 0.479 nan 8.370 nan 0.000 0.498 56 Y N 0.004 120.324 120.300 0.033 0.000 2.970 56 Y HA -0.269 4.175 4.550 -0.177 0.000 0.164 56 Y C 0.555 176.477 175.900 0.036 0.000 1.661 56 Y CA 0.854 58.983 58.100 0.049 0.000 0.895 56 Y CB -1.355 37.146 38.460 0.069 0.000 1.437 56 Y HN 0.463 nan 8.280 nan 0.000 0.371 57 E N -0.457 119.806 120.200 0.106 0.000 3.127 57 E HA 0.362 4.606 4.350 -0.177 0.000 0.338 57 E C -0.320 176.301 176.600 0.035 0.000 1.049 57 E CA -0.471 55.971 56.400 0.070 0.000 0.864 57 E CB 0.788 30.527 29.700 0.066 0.000 1.247 57 E HN 0.463 nan 8.360 nan 0.000 0.452 58 C N 1.225 120.549 119.300 0.040 0.000 2.705 58 C HA 0.815 5.169 4.460 -0.177 0.000 0.311 58 C C 1.874 176.882 174.990 0.029 0.000 1.576 58 C CA 0.407 59.442 59.018 0.028 0.000 2.161 58 C CB -0.030 27.747 27.740 0.062 0.000 2.032 58 C HN 0.925 nan 8.230 nan 0.000 0.616 59 A N 0.143 122.978 122.820 0.026 0.000 1.838 59 A HA -0.013 4.201 4.320 -0.177 0.000 0.215 59 A C 2.144 179.740 177.584 0.020 0.000 1.273 59 A CA 1.841 53.890 52.037 0.020 0.000 0.602 59 A CB -1.605 17.405 19.000 0.018 0.000 0.934 59 A HN 1.478 nan 8.150 nan 0.000 0.461 60 C N -1.157 118.158 119.300 0.026 0.000 2.402 60 C HA 0.328 4.682 4.460 -0.177 0.000 0.301 60 C C 2.086 177.083 174.990 0.012 0.000 1.455 60 C CA -0.057 58.972 59.018 0.019 0.000 1.787 60 C CB -1.733 26.023 27.740 0.027 0.000 1.726 60 C HN 1.798 nan 8.230 nan 0.000 0.565 61 G N 0.517 109.330 108.800 0.021 0.000 2.179 61 G HA2 -0.305 3.549 3.960 -0.177 0.000 0.260 61 G HA3 -0.305 3.549 3.960 -0.177 0.000 0.260 61 G C 0.827 175.702 174.900 -0.041 0.000 0.977 61 G CA 0.492 45.590 45.100 -0.003 0.000 0.641 61 G HN 0.452 nan 8.290 nan 0.000 0.533 62 K N -0.653 119.736 120.400 -0.018 0.000 2.362 62 K HA -0.055 4.159 4.320 -0.177 0.000 0.202 62 K C 0.292 176.594 176.600 -0.498 0.000 1.045 62 K CA 1.045 57.230 56.287 -0.170 0.000 0.936 62 K CB -0.245 32.228 32.500 -0.044 0.000 0.747 62 K HN 0.609 nan 8.250 nan 0.000 0.467 63 Y N -0.644 119.513 120.300 -0.239 0.000 2.442 63 Y HA 0.272 4.716 4.550 -0.177 0.000 0.344 63 Y C 0.904 176.605 175.900 -0.332 0.000 0.976 63 Y CA -0.835 56.992 58.100 -0.454 0.000 1.040 63 Y CB 2.225 40.453 38.460 -0.385 0.000 1.228 63 Y HN -0.263 nan 8.280 nan 0.000 0.451 64 K N 0.246 120.467 120.400 -0.298 0.000 2.788 64 K HA 0.270 4.484 4.320 -0.177 0.000 0.247 64 K C -0.171 176.460 176.600 0.053 0.000 1.667 64 K CA -0.918 55.325 56.287 -0.073 0.000 0.923 64 K CB 0.151 32.618 32.500 -0.055 0.000 2.066 64 K HN 0.294 nan 8.250 nan 0.000 0.357 65 R N 2.853 123.421 120.500 0.113 0.000 2.545 65 R HA -0.173 4.061 4.340 -0.177 0.000 0.269 65 R C 0.854 177.339 176.300 0.308 0.000 0.970 65 R CA 0.853 57.086 56.100 0.221 0.000 1.096 65 R CB 0.118 30.594 30.300 0.293 0.000 0.889 65 R HN 0.425 nan 8.270 nan 0.000 0.422 66 Q N 2.376 122.210 119.800 0.056 0.000 2.508 66 Q HA -0.155 4.079 4.340 -0.177 0.000 0.214 66 Q C 0.355 176.413 176.000 0.096 0.000 0.979 66 Q CA 0.969 56.704 55.803 -0.113 0.000 0.911 66 Q CB 0.228 28.621 28.738 -0.575 0.000 0.969 66 Q HN 0.360 nan 8.270 nan 0.000 0.504 67 R N -0.103 120.492 120.500 0.158 0.000 2.343 67 R HA 0.011 4.245 4.340 -0.177 0.000 0.202 67 R C -0.546 175.605 176.300 -0.248 0.000 1.023 67 R CA 0.369 56.443 56.100 -0.042 0.000 1.084 67 R CB -0.421 29.796 30.300 -0.139 0.000 0.956 67 R HN 0.196 nan 8.270 nan 0.000 0.478 68 F N 0.648 120.669 119.950 0.119 0.000 2.584 68 F HA 0.154 4.575 4.527 -0.177 0.000 0.328 68 F C 1.349 177.245 175.800 0.160 0.000 1.407 68 F CA -0.873 57.219 58.000 0.154 0.000 1.145 68 F CB 0.547 39.688 39.000 0.235 0.000 1.440 68 F HN -0.002 nan 8.300 nan 0.000 0.580 69 E N 0.826 121.168 120.200 0.236 0.000 2.241 69 E HA -0.247 3.997 4.350 -0.177 0.000 0.244 69 E C 1.042 177.770 176.600 0.213 0.000 1.070 69 E CA 1.803 58.337 56.400 0.223 0.000 0.998 69 E CB -0.394 29.383 29.700 0.128 0.000 0.879 69 E HN 0.555 nan 8.360 nan 0.000 0.501 70 G N 0.757 109.642 108.800 0.142 0.000 4.379 70 G HA2 0.219 4.073 3.960 -0.177 0.000 0.243 70 G HA3 0.219 4.073 3.960 -0.177 0.000 0.243 70 G C -0.899 174.032 174.900 0.051 0.000 1.009 70 G CA -0.690 44.459 45.100 0.081 0.000 0.646 70 G HN -0.101 nan 8.290 nan 0.000 0.475 71 K N 1.532 121.965 120.400 0.054 0.000 2.293 71 K HA 0.432 4.646 4.320 -0.177 0.000 0.267 71 K C 0.593 177.090 176.600 -0.171 0.000 1.010 71 K CA -0.571 55.709 56.287 -0.013 0.000 0.875 71 K CB 2.412 34.958 32.500 0.077 0.000 1.106 71 K HN 0.163 nan 8.250 nan 0.000 0.450 72 V N 1.616 121.443 119.914 -0.145 0.000 3.209 72 V HA -0.117 3.897 4.120 -0.177 0.000 0.305 72 V C 0.900 176.785 176.094 -0.349 0.000 1.127 72 V CA -0.426 61.763 62.300 -0.187 0.000 1.235 72 V CB 0.648 32.411 31.823 -0.100 0.000 0.987 72 V HN 0.822 nan 8.190 nan 0.000 0.499 73 C N 3.310 122.426 119.300 -0.307 0.000 2.394 73 C HA 0.335 4.689 4.460 -0.177 0.000 0.362 73 C C 1.468 176.397 174.990 -0.103 0.000 1.268 73 C CA -0.538 58.294 59.018 -0.309 0.000 1.828 73 C CB -0.563 27.088 27.740 -0.149 0.000 2.442 73 C HN 1.021 nan 8.230 nan 0.000 0.549 74 E N 2.394 122.580 120.200 -0.022 0.000 2.511 74 E HA -0.043 4.201 4.350 -0.177 0.000 0.196 74 E C 1.709 178.337 176.600 0.047 0.000 1.066 74 E CA 0.451 56.870 56.400 0.031 0.000 0.871 74 E CB 0.251 29.998 29.700 0.078 0.000 0.863 74 E HN 0.756 nan 8.360 nan 0.000 0.520 75 R N -0.399 120.136 120.500 0.057 0.000 2.580 75 R HA 0.033 4.267 4.340 -0.177 0.000 0.161 75 R C 1.904 178.222 176.300 0.029 0.000 1.659 75 R CA 0.761 56.892 56.100 0.051 0.000 1.325 75 R CB -0.698 29.649 30.300 0.078 0.000 1.254 75 R HN 0.364 nan 8.270 nan 0.000 0.474 76 C N 0.851 120.170 119.300 0.032 0.000 2.449 76 C HA 0.362 4.716 4.460 -0.177 0.000 0.283 76 C C 1.545 176.534 174.990 -0.002 0.000 1.453 76 C CA -0.111 58.917 59.018 0.016 0.000 1.779 76 C CB -1.176 26.578 27.740 0.022 0.000 1.779 76 C HN 0.862 nan 8.230 nan 0.000 0.546 77 G N 0.464 109.255 108.800 -0.016 0.000 2.225 77 G HA2 -0.178 3.676 3.960 -0.177 0.000 0.267 77 G HA3 -0.178 3.676 3.960 -0.177 0.000 0.267 77 G C -0.121 174.756 174.900 -0.039 0.000 1.024 77 G CA 0.438 45.520 45.100 -0.031 0.000 0.784 77 G HN 0.874 nan 8.290 nan 0.000 0.507 78 V N 0.089 119.975 119.914 -0.046 0.000 2.513 78 V HA 0.507 4.521 4.120 -0.177 0.000 0.299 78 V C 0.819 176.868 176.094 -0.075 0.000 1.035 78 V CA -0.717 61.558 62.300 -0.042 0.000 0.889 78 V CB 1.885 33.697 31.823 -0.019 0.000 0.988 78 V HN 0.503 nan 8.190 nan 0.000 0.440 79 E N 2.664 122.828 120.200 -0.059 0.000 2.435 79 E HA 0.346 4.590 4.350 -0.177 0.000 0.254 79 E C -0.867 175.690 176.600 -0.071 0.000 1.289 79 E CA -0.322 56.036 56.400 -0.069 0.000 0.983 79 E CB 1.372 31.052 29.700 -0.034 0.000 1.010 79 E HN 0.597 nan 8.360 nan 0.000 0.509 80 V N -0.303 119.577 119.914 -0.057 0.000 2.380 80 V HA 0.659 4.674 4.120 -0.177 0.000 0.286 80 V C -0.590 175.453 176.094 -0.084 0.000 1.015 80 V CA -0.218 62.069 62.300 -0.022 0.000 0.834 80 V CB 0.554 32.413 31.823 0.061 0.000 1.009 80 V HN 0.823 nan 8.190 nan 0.000 0.428 81 T N 1.487 115.892 114.554 -0.249 0.000 2.652 81 T HA 0.433 4.677 4.350 -0.177 0.000 0.303 81 T C -0.806 173.512 174.700 -0.636 0.000 1.738 81 T CA -1.354 60.362 62.100 -0.639 0.000 0.969 81 T CB 0.634 69.288 68.868 -0.358 0.000 1.778 81 T HN 0.606 nan 8.240 nan 0.000 0.494 82 K N 2.067 122.031 120.400 -0.726 0.000 2.530 82 K HA 0.235 4.449 4.320 -0.177 0.000 0.280 82 K C 1.540 178.032 176.600 -0.179 0.000 1.004 82 K CA 0.630 56.723 56.287 -0.324 0.000 1.071 82 K CB 0.194 32.599 32.500 -0.158 0.000 0.876 82 K HN 0.738 nan 8.250 nan 0.000 0.487 83 S N 3.065 118.705 115.700 -0.100 0.000 2.474 83 S HA -0.173 4.191 4.470 -0.177 0.000 0.235 83 S C 1.762 176.302 174.600 -0.100 0.000 0.997 83 S CA 0.646 58.801 58.200 -0.075 0.000 0.949 83 S CB -0.567 62.612 63.200 -0.035 0.000 0.766 83 S HN 0.688 nan 8.310 nan 0.000 0.517 84 I N 1.404 121.910 120.570 -0.107 0.000 2.236 84 I HA -0.179 3.885 4.170 -0.177 0.000 0.249 84 I C 2.304 178.259 176.117 -0.271 0.000 1.102 84 I CA 1.460 62.659 61.300 -0.168 0.000 1.365 84 I CB -0.317 37.622 38.000 -0.102 0.000 1.051 84 I HN 0.339 nan 8.210 nan 0.000 0.420 85 V N 1.173 120.993 119.914 -0.156 0.000 2.794 85 V HA -0.303 3.711 4.120 -0.177 0.000 0.260 85 V C 2.447 178.445 176.094 -0.161 0.000 1.103 85 V CA 2.146 64.379 62.300 -0.112 0.000 1.125 85 V CB -0.851 30.916 31.823 -0.093 0.000 0.702 85 V HN 0.485 nan 8.190 nan 0.000 0.494 86 R N 0.517 120.919 120.500 -0.163 0.000 2.189 86 R HA -0.100 4.134 4.340 -0.177 0.000 0.223 86 R C 2.249 178.451 176.300 -0.165 0.000 1.092 86 R CA 1.536 57.572 56.100 -0.107 0.000 0.989 86 R CB -0.140 30.114 30.300 -0.077 0.000 0.876 86 R HN 0.767 nan 8.270 nan 0.000 0.457 87 R N -1.825 118.485 120.500 -0.317 0.000 2.359 87 R HA 0.025 4.259 4.340 -0.177 0.000 0.231 87 R C 0.412 176.573 176.300 -0.231 0.000 0.913 87 R CA 0.547 56.447 56.100 -0.333 0.000 1.075 87 R CB 0.220 30.240 30.300 -0.467 0.000 1.087 87 R HN 0.332 nan 8.270 nan 0.000 0.515 88 Y N 0.118 120.376 120.300 -0.071 0.000 2.652 88 Y HA 0.355 4.799 4.550 -0.177 0.000 0.275 88 Y C 0.628 176.462 175.900 -0.110 0.000 1.133 88 Y CA -1.034 57.015 58.100 -0.084 0.000 1.246 88 Y CB 0.644 39.049 38.460 -0.092 0.000 1.334 88 Y HN -0.156 nan 8.280 nan 0.000 0.493 89 R N 1.693 122.180 120.500 -0.021 0.000 2.543 89 R HA 0.290 4.524 4.340 -0.177 0.000 0.277 89 R C -0.639 175.692 176.300 0.053 0.000 1.074 89 R CA 0.433 56.416 56.100 -0.195 0.000 1.076 89 R CB 0.521 30.466 30.300 -0.592 0.000 0.993 89 R HN 0.099 nan 8.270 nan 0.000 0.459 90 M N 0.916 120.600 119.600 0.141 0.000 2.456 90 M HA 0.404 4.778 4.480 -0.177 0.000 0.324 90 M C 0.271 176.729 176.300 0.262 0.000 1.124 90 M CA -0.635 54.808 55.300 0.238 0.000 0.959 90 M CB 2.439 35.183 32.600 0.241 0.000 1.692 90 M HN 0.736 nan 8.290 nan 0.000 0.444 91 G N 0.458 109.403 108.800 0.242 0.000 2.735 91 G HA2 0.797 4.651 3.960 -0.177 0.000 0.301 91 G HA3 0.797 4.651 3.960 -0.177 0.000 0.301 91 G C -1.302 173.738 174.900 0.233 0.000 1.279 91 G CA -0.312 44.877 45.100 0.148 0.000 1.019 91 G HN 0.844 nan 8.290 nan 0.000 0.497 92 H N -1.849 117.245 119.070 0.040 0.000 2.960 92 H HA 0.702 5.152 4.556 -0.177 0.000 0.303 92 H C -1.533 173.811 175.328 0.026 0.000 1.412 92 H CA -1.084 54.993 56.048 0.049 0.000 1.227 92 H CB 1.324 31.100 29.762 0.023 0.000 1.912 92 H HN 0.399 nan 8.280 nan 0.000 0.583 93 I N 0.450 120.946 120.570 -0.124 0.000 2.730 93 I HA 0.189 4.253 4.170 -0.177 0.000 0.298 93 I C -0.715 175.412 176.117 0.016 0.000 1.089 93 I CA -0.824 60.381 61.300 -0.159 0.000 1.041 93 I CB 2.552 40.549 38.000 -0.005 0.000 1.235 93 I HN 0.486 nan 8.210 nan 0.000 0.423 94 E N 5.155 125.345 120.200 -0.015 0.000 2.134 94 E HA 0.435 4.679 4.350 -0.177 0.000 0.278 94 E C -1.182 175.440 176.600 0.037 0.000 0.959 94 E CA -0.408 56.041 56.400 0.081 0.000 0.783 94 E CB 1.084 30.831 29.700 0.079 0.000 1.095 94 E HN 0.365 nan 8.360 nan 0.000 0.399 95 L N 4.025 125.272 121.223 0.041 0.000 2.313 95 L HA 0.258 4.493 4.340 -0.177 0.000 0.282 95 L C 1.353 178.234 176.870 0.019 0.000 1.092 95 L CA -0.331 54.525 54.840 0.026 0.000 0.831 95 L CB 1.196 43.270 42.059 0.025 0.000 1.159 95 L HN 0.764 nan 8.230 nan 0.000 0.442 96 A N 3.137 125.966 122.820 0.015 0.000 1.986 96 A HA -0.077 4.137 4.320 -0.177 0.000 0.220 96 A C 0.999 178.589 177.584 0.011 0.000 1.171 96 A CA 1.475 53.519 52.037 0.012 0.000 0.640 96 A CB -0.220 18.786 19.000 0.011 0.000 0.811 96 A HN 0.727 nan 8.150 nan 0.000 0.451 97 T N -1.034 113.529 114.554 0.014 0.000 2.896 97 T HA 0.536 4.780 4.350 -0.177 0.000 0.297 97 T C -3.039 171.670 174.700 0.014 0.000 1.108 97 T CA -1.081 61.027 62.100 0.013 0.000 1.004 97 T CB 2.033 70.912 68.868 0.019 0.000 1.159 97 T HN -0.150 nan 8.240 nan 0.000 0.499 98 P HA 0.510 nan 4.420 nan 0.000 0.271 98 P C -1.542 175.762 177.300 0.006 0.000 1.216 98 P CA -0.268 62.827 63.100 -0.009 0.000 0.776 98 P CB 0.532 32.209 31.700 -0.038 0.000 0.881 99 A N 2.368 125.194 122.820 0.010 0.000 2.386 99 A HA 0.743 4.957 4.320 -0.177 0.000 0.311 99 A C -0.603 176.994 177.584 0.023 0.000 1.068 99 A CA -0.732 51.348 52.037 0.073 0.000 0.743 99 A CB 1.349 20.392 19.000 0.071 0.000 1.258 99 A HN 0.500 nan 8.150 nan 0.000 0.429 100 A N 1.379 124.224 122.820 0.041 0.000 2.354 100 A HA 0.523 4.737 4.320 -0.177 0.000 0.269 100 A C -0.025 177.686 177.584 0.211 0.000 1.109 100 A CA -0.326 51.724 52.037 0.023 0.000 0.800 100 A CB -0.036 18.880 19.000 -0.141 0.000 1.045 100 A HN 0.917 nan 8.150 nan 0.000 0.489 101 H N 3.237 122.408 119.070 0.169 0.000 2.934 101 H HA 0.151 4.601 4.556 -0.177 0.000 0.273 101 H C 1.057 176.660 175.328 0.458 0.000 1.121 101 H CA -0.146 56.072 56.048 0.283 0.000 1.451 101 H CB 0.676 30.643 29.762 0.343 0.000 1.469 101 H HN 0.706 nan 8.280 nan 0.000 0.476 102 I N 4.587 125.499 120.570 0.571 0.000 2.185 102 I HA -0.339 3.725 4.170 -0.177 0.000 0.246 102 I C 1.123 177.588 176.117 0.580 0.000 1.088 102 I CA 1.095 62.726 61.300 0.553 0.000 1.347 102 I CB -0.024 38.244 38.000 0.447 0.000 1.041 102 I HN 0.585 nan 8.210 nan 0.000 0.415 103 W N 0.345 121.808 121.300 0.273 0.000 2.596 103 W HA -0.172 4.382 4.660 -0.177 0.000 0.255 103 W C 0.992 177.061 176.519 -0.751 0.000 1.232 103 W CA 0.726 57.894 57.345 -0.295 0.000 1.230 103 W CB -1.113 28.003 29.460 -0.572 0.000 1.141 103 W HN 0.183 nan 8.180 nan 0.000 0.628 104 F N -1.876 118.265 119.950 0.317 0.000 2.814 104 F HA 0.218 4.639 4.527 -0.176 0.000 0.326 104 F C 0.968 176.885 175.800 0.194 0.000 1.159 104 F CA -0.142 57.975 58.000 0.194 0.000 1.234 104 F CB -0.432 38.654 39.000 0.144 0.000 1.016 104 F HN -0.308 nan 8.300 nan 0.000 0.510 105 V N -1.850 118.241 119.914 0.295 0.000 3.629 105 V HA 0.058 4.072 4.120 -0.177 0.000 0.194 105 V C 1.769 177.978 176.094 0.192 0.000 1.343 105 V CA -0.150 62.315 62.300 0.274 0.000 1.292 105 V CB -0.103 31.939 31.823 0.366 0.000 1.287 105 V HN -0.168 nan 8.190 nan 0.000 0.554 106 K N 1.342 121.850 120.400 0.181 0.000 2.439 106 K HA 0.080 4.294 4.320 -0.177 0.000 0.197 106 K C 0.524 177.157 176.600 0.055 0.000 1.041 106 K CA 0.445 56.796 56.287 0.106 0.000 0.970 106 K CB -0.331 32.232 32.500 0.104 0.000 0.773 106 K HN 0.521 nan 8.250 nan 0.000 0.479 107 D N 1.063 121.492 120.400 0.048 0.000 2.249 107 D HA 0.138 4.672 4.640 -0.177 0.000 0.246 107 D C -0.797 175.543 176.300 0.067 0.000 1.114 107 D CA -0.337 53.674 54.000 0.019 0.000 0.854 107 D CB 1.156 41.927 40.800 -0.048 0.000 1.132 107 D HN -0.300 nan 8.370 nan 0.000 0.461 108 V N 5.362 125.317 119.914 0.068 0.000 2.581 108 V HA 0.410 4.424 4.120 -0.177 0.000 0.303 108 V C -1.900 174.257 176.094 0.105 0.000 1.041 108 V CA -1.576 60.770 62.300 0.076 0.000 0.907 108 V CB 1.514 33.365 31.823 0.046 0.000 0.994 108 V HN 0.557 nan 8.190 nan 0.000 0.442 109 P HA 0.013 nan 4.420 nan 0.000 0.265 109 P C 0.079 177.444 177.300 0.108 0.000 1.193 109 P CA 0.153 63.310 63.100 0.095 0.000 0.765 109 P CB 0.814 32.570 31.700 0.093 0.000 0.823 110 S N 3.508 119.274 115.700 0.110 0.000 3.716 110 S HA -0.015 4.349 4.470 -0.177 0.000 0.254 110 S C 1.349 176.047 174.600 0.163 0.000 1.209 110 S CA -0.431 57.852 58.200 0.138 0.000 1.026 110 S CB -0.789 62.497 63.200 0.143 0.000 1.625 110 S HN 0.238 nan 8.310 nan 0.000 0.500 111 K N 3.188 123.694 120.400 0.177 0.000 2.248 111 K HA -0.291 3.923 4.320 -0.177 0.000 0.216 111 K C 1.800 178.523 176.600 0.204 0.000 0.902 111 K CA 2.701 59.117 56.287 0.214 0.000 0.975 111 K CB -1.792 30.903 32.500 0.324 0.000 1.016 111 K HN 0.861 nan 8.250 nan 0.000 0.508 112 I N -2.257 118.445 120.570 0.221 0.000 2.118 112 I HA -0.170 3.894 4.170 -0.177 0.000 0.241 112 I C 2.334 178.509 176.117 0.097 0.000 1.070 112 I CA 2.376 63.759 61.300 0.138 0.000 1.327 112 I CB -1.325 36.748 38.000 0.122 0.000 1.034 112 I HN 0.189 nan 8.210 nan 0.000 0.405 113 G N 0.729 109.596 108.800 0.112 0.000 2.402 113 G HA2 -0.169 3.685 3.960 -0.177 0.000 0.216 113 G HA3 -0.169 3.685 3.960 -0.177 0.000 0.216 113 G C 1.451 176.398 174.900 0.078 0.000 1.162 113 G CA 1.193 46.347 45.100 0.090 0.000 0.777 113 G HN 0.464 nan 8.290 nan 0.000 0.539 114 T N 0.601 115.211 114.554 0.093 0.000 3.320 114 T HA 0.046 4.290 4.350 -0.177 0.000 0.262 114 T C 1.352 176.099 174.700 0.077 0.000 1.187 114 T CA 0.552 62.703 62.100 0.084 0.000 1.038 114 T CB -0.002 68.925 68.868 0.098 0.000 0.939 114 T HN 0.142 nan 8.240 nan 0.000 0.550 115 L N -0.580 120.683 121.223 0.067 0.000 3.174 115 L HA 0.484 4.718 4.340 -0.177 0.000 0.283 115 L C 0.679 177.556 176.870 0.011 0.000 1.187 115 L CA 0.726 55.591 54.840 0.042 0.000 1.018 115 L CB 0.536 42.623 42.059 0.047 0.000 1.433 115 L HN 0.149 nan 8.230 nan 0.000 0.593 116 L N -0.797 120.439 121.223 0.021 0.000 3.229 116 L HA 0.333 4.567 4.340 -0.177 0.000 0.286 116 L C 0.160 177.041 176.870 0.018 0.000 1.239 116 L CA 0.057 54.902 54.840 0.008 0.000 1.035 116 L CB 0.423 42.485 42.059 0.005 0.000 1.408 116 L HN 0.078 nan 8.230 nan 0.000 0.593 117 D N 1.477 121.892 120.400 0.026 0.000 2.945 117 D HA -0.191 4.343 4.640 -0.177 0.000 0.225 117 D C -0.386 175.935 176.300 0.036 0.000 1.158 117 D CA 0.836 54.853 54.000 0.028 0.000 0.805 117 D CB -0.708 40.103 40.800 0.018 0.000 1.098 117 D HN 0.246 nan 8.370 nan 0.000 0.426 118 L N 0.811 122.061 121.223 0.045 0.000 2.309 118 L HA 0.272 4.507 4.340 -0.177 0.000 0.282 118 L C 1.013 177.922 176.870 0.065 0.000 1.036 118 L CA -0.684 54.190 54.840 0.056 0.000 0.806 118 L CB 1.732 43.830 42.059 0.064 0.000 1.220 118 L HN 0.009 nan 8.230 nan 0.000 0.429 119 S N 2.339 118.078 115.700 0.065 0.000 2.629 119 S HA 0.017 4.381 4.470 -0.177 0.000 0.302 119 S C 1.401 176.047 174.600 0.077 0.000 1.244 119 S CA -0.001 58.238 58.200 0.065 0.000 1.098 119 S CB 0.754 63.992 63.200 0.063 0.000 0.858 119 S HN 0.746 nan 8.310 nan 0.000 0.502 120 A N 4.353 127.217 122.820 0.074 0.000 2.266 120 A HA -0.069 4.145 4.320 -0.177 0.000 0.219 120 A C 1.793 179.432 177.584 0.091 0.000 1.178 120 A CA 2.253 54.342 52.037 0.085 0.000 0.678 120 A CB -0.932 18.112 19.000 0.072 0.000 0.789 120 A HN 1.147 nan 8.150 nan 0.000 0.486 121 T N -6.125 108.478 114.554 0.081 0.000 3.517 121 T HA 0.109 4.353 4.350 -0.177 0.000 0.190 121 T C 1.362 176.111 174.700 0.082 0.000 0.906 121 T CA 0.302 62.447 62.100 0.076 0.000 1.009 121 T CB -0.113 68.782 68.868 0.045 0.000 1.158 121 T HN 0.065 nan 8.240 nan 0.000 0.312 122 E N 2.148 122.388 120.200 0.067 0.000 2.103 122 E HA -0.183 4.061 4.350 -0.177 0.000 0.229 122 E C 2.154 178.812 176.600 0.097 0.000 1.061 122 E CA 1.918 58.363 56.400 0.074 0.000 0.916 122 E CB -1.025 28.713 29.700 0.064 0.000 0.806 122 E HN 0.543 nan 8.360 nan 0.000 0.489 123 L N 0.730 122.009 121.223 0.093 0.000 1.921 123 L HA -0.210 4.024 4.340 -0.177 0.000 0.219 123 L C 2.510 179.456 176.870 0.127 0.000 1.081 123 L CA 1.558 56.459 54.840 0.102 0.000 0.771 123 L CB -0.938 41.170 42.059 0.082 0.000 0.888 123 L HN 0.182 nan 8.230 nan 0.000 0.433 124 E N 0.028 120.307 120.200 0.131 0.000 2.081 124 E HA -0.409 3.835 4.350 -0.177 0.000 0.235 124 E C 1.861 178.600 176.600 0.231 0.000 1.043 124 E CA 2.150 58.654 56.400 0.173 0.000 0.924 124 E CB -0.411 29.398 29.700 0.180 0.000 0.821 124 E HN 0.376 nan 8.360 nan 0.000 0.517 125 Q N 1.048 120.991 119.800 0.238 0.000 1.968 125 Q HA -0.278 3.956 4.340 -0.177 0.000 0.216 125 Q C 2.127 178.259 176.000 0.220 0.000 1.037 125 Q CA 2.829 58.791 55.803 0.264 0.000 0.889 125 Q CB -0.957 27.847 28.738 0.110 0.000 0.998 125 Q HN 0.250 nan 8.270 nan 0.000 0.417 126 V N 0.341 120.339 119.914 0.140 0.000 2.265 126 V HA -0.393 3.621 4.120 -0.177 0.000 0.260 126 V C 2.332 178.491 176.094 0.109 0.000 1.084 126 V CA 2.440 64.805 62.300 0.108 0.000 1.086 126 V CB -0.991 30.940 31.823 0.181 0.000 0.704 126 V HN 0.599 nan 8.190 nan 0.000 0.457 127 L N -1.596 119.730 121.223 0.172 0.000 1.925 127 L HA -0.134 4.100 4.340 -0.177 0.000 0.214 127 L C 2.329 179.309 176.870 0.183 0.000 1.091 127 L CA 2.097 57.038 54.840 0.169 0.000 0.768 127 L CB -0.847 41.311 42.059 0.165 0.000 0.887 127 L HN 0.406 nan 8.230 nan 0.000 0.433 128 Y N 0.390 120.727 120.300 0.061 0.000 1.911 128 Y HA -0.404 4.040 4.550 -0.177 0.000 0.244 128 Y C 2.316 178.196 175.900 -0.034 0.000 1.139 128 Y CA 1.946 60.045 58.100 -0.002 0.000 1.070 128 Y CB -1.448 37.004 38.460 -0.012 0.000 0.919 128 Y HN 0.342 nan 8.280 nan 0.000 0.497 129 F N -0.477 119.286 119.950 -0.312 0.000 2.063 129 F HA -0.362 4.059 4.527 -0.177 0.000 0.297 129 F C 2.928 178.551 175.800 -0.294 0.000 1.099 129 F CA 3.023 60.740 58.000 -0.472 0.000 1.220 129 F CB -0.725 38.129 39.000 -0.244 0.000 0.972 129 F HN 0.324 nan 8.300 nan 0.000 0.487 130 S N -1.876 113.820 115.700 -0.006 0.000 5.084 130 S HA 0.037 4.401 4.470 -0.177 0.000 0.156 130 S C 1.617 176.160 174.600 -0.094 0.000 1.073 130 S CA 0.097 58.263 58.200 -0.057 0.000 1.336 130 S CB -0.674 62.503 63.200 -0.038 0.000 1.919 130 S HN 0.204 nan 8.310 nan 0.000 0.624 131 K N -0.132 120.148 120.400 -0.200 0.000 2.007 131 K HA 0.037 4.251 4.320 -0.177 0.000 0.206 131 K C -0.002 176.422 176.600 -0.293 0.000 1.047 131 K CA 0.797 56.855 56.287 -0.382 0.000 0.937 131 K CB -0.499 31.522 32.500 -0.799 0.000 0.718 131 K HN 0.439 nan 8.250 nan 0.000 0.438 132 Y N 1.490 121.807 120.300 0.028 0.000 2.453 132 Y HA 0.458 4.902 4.550 -0.177 0.000 0.326 132 Y C 0.581 176.484 175.900 0.004 0.000 1.186 132 Y CA -2.233 55.877 58.100 0.017 0.000 1.200 132 Y CB 0.964 39.442 38.460 0.031 0.000 1.247 132 Y HN 0.028 nan 8.280 nan 0.000 0.482 133 I N 1.278 121.960 120.570 0.187 0.000 2.693 133 I HA 0.807 4.871 4.170 -0.177 0.000 0.303 133 I C -0.598 175.550 176.117 0.052 0.000 1.025 133 I CA -1.439 59.891 61.300 0.050 0.000 1.086 133 I CB 1.783 39.724 38.000 -0.097 0.000 1.268 133 I HN 0.308 nan 8.210 nan 0.000 0.440 134 V N 2.310 122.245 119.914 0.035 0.000 2.815 134 V HA 0.552 4.567 4.120 -0.177 0.000 0.314 134 V C -0.117 175.997 176.094 0.033 0.000 1.064 134 V CA -1.105 61.219 62.300 0.039 0.000 0.952 134 V CB 1.746 33.593 31.823 0.040 0.000 1.020 134 V HN 0.690 nan 8.190 nan 0.000 0.439 135 L N 1.412 122.662 121.223 0.044 0.000 2.407 135 L HA 0.379 4.613 4.340 -0.177 0.000 0.282 135 L C 0.854 177.744 176.870 0.034 0.000 1.110 135 L CA -0.227 54.644 54.840 0.050 0.000 0.863 135 L CB -0.481 41.613 42.059 0.058 0.000 1.207 135 L HN 0.673 nan 8.230 nan 0.000 0.454 136 D N 4.768 125.184 120.400 0.026 0.000 2.098 136 D HA -0.082 4.452 4.640 -0.177 0.000 0.207 136 D C -0.605 175.704 176.300 0.016 0.000 0.979 136 D CA 1.832 55.840 54.000 0.013 0.000 0.878 136 D CB -0.389 40.414 40.800 0.006 0.000 1.028 136 D HN 0.491 nan 8.370 nan 0.000 0.452 137 P HA 0.140 nan 4.420 nan 0.000 0.204 137 P C -0.159 177.174 177.300 0.055 0.000 1.079 137 P CA 0.502 63.620 63.100 0.029 0.000 0.961 137 P CB 1.182 32.896 31.700 0.024 0.000 0.785 138 K N -0.235 120.213 120.400 0.080 0.000 2.203 138 K HA 0.683 4.898 4.320 -0.177 0.000 0.251 138 K C -0.209 176.526 176.600 0.224 0.000 0.944 138 K CA -0.652 55.734 56.287 0.164 0.000 0.829 138 K CB 1.909 34.555 32.500 0.244 0.000 1.125 138 K HN 0.053 nan 8.250 nan 0.000 0.430 139 G N 0.607 109.591 108.800 0.308 0.000 3.298 139 G HA2 0.411 4.265 3.960 -0.177 0.000 0.303 139 G HA3 0.411 4.265 3.960 -0.177 0.000 0.303 139 G C 0.029 175.056 174.900 0.211 0.000 1.668 139 G CA -0.375 44.944 45.100 0.365 0.000 0.733 139 G HN 0.616 nan 8.290 nan 0.000 0.453 140 A N 2.528 125.354 122.820 0.009 0.000 1.911 140 A HA 0.444 4.658 4.320 -0.177 0.000 0.212 140 A C 1.233 178.622 177.584 -0.326 0.000 1.189 140 A CA 0.289 52.047 52.037 -0.465 0.000 0.639 140 A CB -0.159 18.202 19.000 -1.065 0.000 0.839 140 A HN 0.631 nan 8.150 nan 0.000 0.449 141 I N 0.808 121.260 120.570 -0.197 0.000 2.993 141 I HA 0.240 4.304 4.170 -0.177 0.000 0.286 141 I C -0.177 175.931 176.117 -0.016 0.000 1.215 141 I CA -0.212 61.040 61.300 -0.079 0.000 1.393 141 I CB 0.874 38.937 38.000 0.104 0.000 1.371 141 I HN 0.461 nan 8.210 nan 0.000 0.602 142 L N 3.712 124.918 121.223 -0.029 0.000 2.656 142 L HA 0.522 4.756 4.340 -0.177 0.000 0.252 142 L C -0.443 176.423 176.870 -0.006 0.000 1.129 142 L CA -0.714 54.119 54.840 -0.012 0.000 0.962 142 L CB 0.756 42.800 42.059 -0.025 0.000 1.565 142 L HN 0.613 nan 8.230 nan 0.000 0.389 143 N N -1.386 117.312 118.700 -0.003 0.000 2.240 143 N HA 0.415 5.049 4.740 -0.177 0.000 0.240 143 N C 0.571 176.080 175.510 -0.003 0.000 1.277 143 N CA 0.477 53.527 53.050 -0.001 0.000 0.873 143 N CB 1.771 40.260 38.487 0.003 0.000 1.222 143 N HN 1.259 nan 8.380 nan 0.000 0.507 144 G N 0.164 108.960 108.800 -0.007 0.000 3.753 144 G HA2 -0.127 3.727 3.960 -0.177 0.000 0.196 144 G HA3 -0.127 3.727 3.960 -0.177 0.000 0.196 144 G C -0.834 174.060 174.900 -0.010 0.000 1.538 144 G CA 0.004 45.099 45.100 -0.007 0.000 1.040 144 G HN 0.123 nan 8.290 nan 0.000 0.427 145 V N 5.030 124.940 119.914 -0.007 0.000 2.385 145 V HA 0.327 4.342 4.120 -0.177 0.000 0.269 145 V C -0.044 176.045 176.094 -0.009 0.000 1.043 145 V CA -0.559 61.736 62.300 -0.007 0.000 0.906 145 V CB 1.422 33.244 31.823 -0.002 0.000 0.995 145 V HN 0.358 nan 8.190 nan 0.000 0.467 146 P HA -0.138 nan 4.420 nan 0.000 0.213 146 P C 0.453 177.748 177.300 -0.008 0.000 1.176 146 P CA 1.812 64.895 63.100 -0.028 0.000 0.919 146 P CB 0.711 32.388 31.700 -0.038 0.000 0.791 147 V N -1.898 118.016 119.914 0.001 0.000 3.156 147 V HA 0.366 4.380 4.120 -0.177 0.000 0.306 147 V C -1.791 174.314 176.094 0.019 0.000 1.468 147 V CA -0.884 61.429 62.300 0.022 0.000 1.047 147 V CB 2.425 34.267 31.823 0.031 0.000 1.078 147 V HN 0.048 nan 8.190 nan 0.000 0.468 148 E N 1.401 121.618 120.200 0.027 0.000 2.283 148 E HA 0.292 4.536 4.350 -0.177 0.000 0.258 148 E C -0.007 176.608 176.600 0.025 0.000 0.893 148 E CA -0.336 56.077 56.400 0.022 0.000 0.798 148 E CB 1.726 31.439 29.700 0.023 0.000 1.242 148 E HN 0.730 nan 8.360 nan 0.000 0.414 149 K N 3.120 123.531 120.400 0.018 0.000 2.207 149 K HA -0.287 3.927 4.320 -0.177 0.000 0.208 149 K C 1.274 177.885 176.600 0.019 0.000 1.046 149 K CA 2.128 58.425 56.287 0.017 0.000 0.929 149 K CB -0.133 32.371 32.500 0.007 0.000 0.720 149 K HN 0.535 nan 8.250 nan 0.000 0.463 150 R N -1.000 119.511 120.500 0.018 0.000 2.371 150 R HA 0.150 4.384 4.340 -0.177 0.000 0.261 150 R C -0.431 175.882 176.300 0.023 0.000 0.768 150 R CA -0.482 55.629 56.100 0.018 0.000 0.992 150 R CB -0.203 30.102 30.300 0.009 0.000 1.687 150 R HN 0.021 nan 8.270 nan 0.000 0.463 151 Q N 1.315 121.128 119.800 0.023 0.000 2.540 151 Q HA 0.077 4.311 4.340 -0.177 0.000 0.256 151 Q C -0.048 175.969 176.000 0.029 0.000 1.084 151 Q CA -0.160 55.657 55.803 0.024 0.000 0.956 151 Q CB 0.709 29.458 28.738 0.019 0.000 1.303 151 Q HN 0.123 nan 8.270 nan 0.000 0.509 152 L N 1.616 122.856 121.223 0.029 0.000 2.476 152 L HA 0.393 4.627 4.340 -0.177 0.000 0.264 152 L C -0.780 176.097 176.870 0.010 0.000 1.224 152 L CA 0.532 55.390 54.840 0.030 0.000 0.821 152 L CB 0.444 42.525 42.059 0.036 0.000 1.101 152 L HN 0.614 nan 8.230 nan 0.000 0.488 153 L N 1.346 122.570 121.223 0.001 0.000 2.582 153 L HA 0.501 4.735 4.340 -0.177 0.000 0.257 153 L C -0.703 176.118 176.870 -0.082 0.000 0.974 153 L CA -0.284 54.543 54.840 -0.022 0.000 0.851 153 L CB 2.036 44.122 42.059 0.045 0.000 1.424 153 L HN 0.692 nan 8.230 nan 0.000 0.412 154 T N -0.122 114.341 114.554 -0.152 0.000 2.923 154 T HA 0.187 4.431 4.350 -0.177 0.000 0.281 154 T C 0.436 175.154 174.700 0.030 0.000 0.995 154 T CA 0.144 62.092 62.100 -0.253 0.000 0.985 154 T CB 1.215 69.806 68.868 -0.462 0.000 1.114 154 T HN 0.861 nan 8.240 nan 0.000 0.548 155 D N 0.541 121.019 120.400 0.130 0.000 2.137 155 D HA -0.156 4.378 4.640 -0.177 0.000 0.193 155 D C 1.922 178.328 176.300 0.175 0.000 0.993 155 D CA 1.936 56.054 54.000 0.198 0.000 0.846 155 D CB -0.064 40.858 40.800 0.203 0.000 0.990 155 D HN 0.775 nan 8.370 nan 0.000 0.448 156 E N 1.152 121.416 120.200 0.107 0.000 2.136 156 E HA -0.267 3.977 4.350 -0.177 0.000 0.202 156 E C 1.962 178.602 176.600 0.065 0.000 1.019 156 E CA 1.263 57.704 56.400 0.068 0.000 0.819 156 E CB -0.922 28.801 29.700 0.038 0.000 0.739 156 E HN 0.544 nan 8.360 nan 0.000 0.458 157 E N 0.055 120.290 120.200 0.059 0.000 2.012 157 E HA -0.217 4.027 4.350 -0.177 0.000 0.197 157 E C 2.018 178.675 176.600 0.095 0.000 1.007 157 E CA 1.546 57.977 56.400 0.053 0.000 0.816 157 E CB -0.428 29.290 29.700 0.029 0.000 0.762 157 E HN 0.282 nan 8.360 nan 0.000 0.451 158 Y N 1.686 121.998 120.300 0.020 0.000 2.014 158 Y HA -0.318 4.126 4.550 -0.176 0.000 0.272 158 Y C 2.275 178.207 175.900 0.054 0.000 1.164 158 Y CA 2.078 60.199 58.100 0.035 0.000 1.114 158 Y CB -0.210 38.279 38.460 0.048 0.000 0.961 158 Y HN -0.089 nan 8.280 nan 0.000 0.489 159 R N -0.019 120.520 120.500 0.064 0.000 2.105 159 R HA -0.188 4.046 4.340 -0.177 0.000 0.239 159 R C 2.160 178.463 176.300 0.005 0.000 1.135 159 R CA 1.437 57.545 56.100 0.013 0.000 0.967 159 R CB -0.505 29.846 30.300 0.085 0.000 0.861 159 R HN 0.486 nan 8.270 nan 0.000 0.442 160 E N 0.903 121.110 120.200 0.011 0.000 2.510 160 E HA -0.127 4.117 4.350 -0.177 0.000 0.202 160 E C 1.251 177.850 176.600 -0.002 0.000 1.072 160 E CA 0.551 56.961 56.400 0.016 0.000 0.883 160 E CB 0.193 29.903 29.700 0.017 0.000 0.818 160 E HN 0.378 nan 8.360 nan 0.000 0.548 161 L N -1.190 119.998 121.223 -0.058 0.000 2.526 161 L HA 0.127 4.361 4.340 -0.177 0.000 0.210 161 L C 2.350 179.149 176.870 -0.119 0.000 1.048 161 L CA -0.392 54.398 54.840 -0.082 0.000 0.852 161 L CB -0.395 41.593 42.059 -0.118 0.000 1.128 161 L HN -0.117 nan 8.230 nan 0.000 0.482 162 R N 0.714 121.083 120.500 -0.219 0.000 2.088 162 R HA -0.142 4.092 4.340 -0.177 0.000 0.232 162 R C 1.871 178.124 176.300 -0.078 0.000 1.136 162 R CA 1.758 57.735 56.100 -0.205 0.000 0.926 162 R CB -0.999 29.155 30.300 -0.243 0.000 0.837 162 R HN 0.283 nan 8.270 nan 0.000 0.429 163 Y N 0.552 120.798 120.300 -0.090 0.000 2.502 163 Y HA 0.086 4.530 4.550 -0.177 0.000 0.295 163 Y C 1.807 177.693 175.900 -0.022 0.000 1.193 163 Y CA 0.640 58.717 58.100 -0.038 0.000 1.295 163 Y CB -0.176 38.272 38.460 -0.020 0.000 1.059 163 Y HN 0.442 nan 8.280 nan 0.000 0.514 164 G N 0.764 109.615 108.800 0.085 0.000 2.601 164 G HA2 -0.336 3.518 3.960 -0.177 0.000 0.306 164 G HA3 -0.336 3.518 3.960 -0.177 0.000 0.306 164 G C -0.048 174.896 174.900 0.073 0.000 1.172 164 G CA 0.423 45.560 45.100 0.062 0.000 0.966 164 G HN 0.265 nan 8.290 nan 0.000 0.542 165 K N 0.764 121.210 120.400 0.077 0.000 2.588 165 K HA 0.503 4.717 4.320 -0.177 0.000 0.250 165 K C -0.773 175.871 176.600 0.074 0.000 0.972 165 K CA -0.362 55.965 56.287 0.066 0.000 0.821 165 K CB 2.183 34.713 32.500 0.050 0.000 1.249 165 K HN 0.655 nan 8.250 nan 0.000 0.442 166 Q N 1.280 121.121 119.800 0.069 0.000 2.458 166 Q HA 0.494 4.728 4.340 -0.177 0.000 0.282 166 Q C -1.037 174.996 176.000 0.054 0.000 1.106 166 Q CA -1.148 54.697 55.803 0.071 0.000 0.814 166 Q CB 2.926 31.710 28.738 0.076 0.000 1.425 166 Q HN 0.320 nan 8.270 nan 0.000 0.437 167 E N 1.174 121.424 120.200 0.083 0.000 2.406 167 E HA 0.163 4.407 4.350 -0.177 0.000 0.297 167 E C -1.600 174.989 176.600 -0.018 0.000 0.917 167 E CA -0.239 56.170 56.400 0.016 0.000 0.795 167 E CB 2.459 32.251 29.700 0.154 0.000 1.285 167 E HN 0.577 nan 8.360 nan 0.000 0.400 168 T N 1.890 116.294 114.554 -0.251 0.000 2.882 168 T HA 0.552 4.796 4.350 -0.177 0.000 0.287 168 T C -1.113 173.292 174.700 -0.491 0.000 0.992 168 T CA -0.146 61.855 62.100 -0.164 0.000 1.076 168 T CB 0.180 68.999 68.868 -0.081 0.000 0.961 168 T HN 0.306 nan 8.240 nan 0.000 0.490 169 Y N 4.680 125.011 120.300 0.051 0.000 2.488 169 Y HA 0.374 4.819 4.550 -0.177 0.000 0.330 169 Y C -2.393 173.535 175.900 0.047 0.000 1.013 169 Y CA -2.483 55.642 58.100 0.042 0.000 1.304 169 Y CB 1.576 40.059 38.460 0.039 0.000 1.098 169 Y HN 0.540 nan 8.280 nan 0.000 0.498 170 P HA 0.196 nan 4.420 nan 0.000 0.271 170 P C -0.910 176.448 177.300 0.096 0.000 1.216 170 P CA 0.117 63.261 63.100 0.072 0.000 0.771 170 P CB 0.729 32.439 31.700 0.016 0.000 0.864 171 L N 4.842 126.116 121.223 0.084 0.000 2.356 171 L HA 0.540 4.774 4.340 -0.177 0.000 0.277 171 L C -2.235 174.668 176.870 0.055 0.000 0.996 171 L CA -2.580 52.307 54.840 0.078 0.000 0.822 171 L CB 1.472 43.586 42.059 0.091 0.000 1.256 171 L HN 0.164 nan 8.230 nan 0.000 0.413 172 P HA 0.006 nan 4.420 nan 0.000 0.272 172 P C -2.513 174.809 177.300 0.037 0.000 1.239 172 P CA -0.495 62.625 63.100 0.034 0.000 0.807 172 P CB -0.246 31.472 31.700 0.029 0.000 0.951 173 P HA 0.123 nan 4.420 nan 0.000 0.286 173 P C 0.507 177.825 177.300 0.031 0.000 1.321 173 P CA 0.371 63.491 63.100 0.033 0.000 0.790 173 P CB 0.436 32.153 31.700 0.028 0.000 0.897 174 G N 2.316 111.138 108.800 0.037 0.000 2.213 174 G HA2 -0.192 3.662 3.960 -0.177 0.000 0.226 174 G HA3 -0.192 3.662 3.960 -0.177 0.000 0.226 174 G C -0.090 174.828 174.900 0.029 0.000 0.992 174 G CA -0.228 44.890 45.100 0.030 0.000 0.632 174 G HN 0.486 nan 8.290 nan 0.000 0.511 175 V N 3.168 123.103 119.914 0.036 0.000 2.555 175 V HA 0.566 4.581 4.120 -0.177 0.000 0.286 175 V C -0.026 176.095 176.094 0.046 0.000 1.044 175 V CA 0.534 62.855 62.300 0.035 0.000 1.026 175 V CB 1.309 33.155 31.823 0.037 0.000 0.981 175 V HN 0.694 nan 8.190 nan 0.000 0.480 176 D N 3.892 124.316 120.400 0.040 0.000 2.602 176 D HA 0.385 4.919 4.640 -0.177 0.000 0.215 176 D C -0.394 175.928 176.300 0.036 0.000 1.148 176 D CA 0.120 54.150 54.000 0.050 0.000 0.764 176 D CB 1.420 42.267 40.800 0.079 0.000 2.364 176 D HN 0.515 nan 8.370 nan 0.000 0.484 177 A N 2.014 124.851 122.820 0.029 0.000 1.878 177 A HA 0.307 4.521 4.320 -0.177 0.000 0.201 177 A C 0.707 178.300 177.584 0.016 0.000 1.684 177 A CA 0.079 52.126 52.037 0.016 0.000 1.113 177 A CB 0.289 19.290 19.000 0.001 0.000 1.131 177 A HN 0.329 nan 8.150 nan 0.000 0.472 178 L N 0.524 121.753 121.223 0.010 0.000 3.168 178 L HA 0.346 4.580 4.340 -0.177 0.000 0.277 178 L C 1.059 177.938 176.870 0.016 0.000 1.308 178 L CA 0.186 55.029 54.840 0.005 0.000 0.976 178 L CB 1.324 43.373 42.059 -0.017 0.000 1.383 178 L HN 0.185 nan 8.230 nan 0.000 0.572 179 V N 0.365 120.303 119.914 0.039 0.000 2.719 179 V HA -0.142 3.872 4.120 -0.177 0.000 0.252 179 V C 2.005 178.130 176.094 0.052 0.000 1.065 179 V CA 1.452 63.785 62.300 0.054 0.000 1.086 179 V CB -0.133 31.730 31.823 0.066 0.000 0.700 179 V HN 0.732 nan 8.190 nan 0.000 0.467 180 K N -0.905 119.519 120.400 0.039 0.000 2.551 180 K HA 0.102 4.316 4.320 -0.177 0.000 0.204 180 K C -0.045 176.569 176.600 0.023 0.000 1.033 180 K CA 0.574 56.881 56.287 0.034 0.000 1.187 180 K CB 0.030 32.550 32.500 0.033 0.000 0.900 180 K HN 0.381 nan 8.250 nan 0.000 0.499 181 D N 0.864 121.275 120.400 0.018 0.000 2.692 181 D HA 0.042 4.576 4.640 -0.177 0.000 0.290 181 D C 0.504 176.804 176.300 -0.001 0.000 1.455 181 D CA -0.143 53.860 54.000 0.004 0.000 0.796 181 D CB 1.147 41.944 40.800 -0.005 0.000 1.131 181 D HN 0.454 nan 8.370 nan 0.000 0.467 182 G N 1.133 109.942 108.800 0.015 0.000 3.186 182 G HA2 -0.156 3.698 3.960 -0.177 0.000 0.214 182 G HA3 -0.156 3.698 3.960 -0.177 0.000 0.214 182 G C 1.120 176.014 174.900 -0.010 0.000 1.222 182 G CA 0.061 45.163 45.100 0.004 0.000 0.921 182 G HN 0.209 nan 8.290 nan 0.000 0.504 183 E N -0.205 119.988 120.200 -0.011 0.000 2.230 183 E HA 0.063 4.307 4.350 -0.177 0.000 0.192 183 E C 0.675 177.256 176.600 -0.031 0.000 0.987 183 E CA 0.375 56.763 56.400 -0.020 0.000 0.841 183 E CB 0.237 29.928 29.700 -0.016 0.000 0.783 183 E HN 0.565 nan 8.360 nan 0.000 0.481 184 E N -1.104 119.078 120.200 -0.031 0.000 2.403 184 E HA 0.335 4.579 4.350 -0.177 0.000 0.280 184 E C -1.990 174.589 176.600 -0.035 0.000 1.101 184 E CA -0.673 55.706 56.400 -0.034 0.000 0.856 184 E CB 1.885 31.567 29.700 -0.030 0.000 1.303 184 E HN -0.066 nan 8.360 nan 0.000 0.441 185 V N 1.627 121.520 119.914 -0.035 0.000 2.969 185 V HA 0.511 4.525 4.120 -0.177 0.000 0.304 185 V C -0.786 175.291 176.094 -0.028 0.000 1.192 185 V CA -0.646 61.630 62.300 -0.039 0.000 0.962 185 V CB 1.980 33.773 31.823 -0.050 0.000 1.045 185 V HN 0.594 nan 8.190 nan 0.000 0.428 186 V N 1.884 121.781 119.914 -0.029 0.000 3.155 186 V HA 0.541 4.555 4.120 -0.177 0.000 0.313 186 V C 0.010 176.096 176.094 -0.014 0.000 1.162 186 V CA -1.287 61.003 62.300 -0.017 0.000 1.048 186 V CB 2.120 33.934 31.823 -0.015 0.000 1.092 186 V HN 0.904 nan 8.190 nan 0.000 0.447 187 K N 0.999 121.397 120.400 -0.004 0.000 2.485 187 K HA 0.225 4.439 4.320 -0.177 0.000 0.277 187 K C 1.026 177.625 176.600 -0.001 0.000 0.990 187 K CA 0.996 57.285 56.287 0.003 0.000 0.994 187 K CB 0.121 32.625 32.500 0.007 0.000 0.906 187 K HN 1.319 nan 8.250 nan 0.000 0.488 188 G N 2.526 111.328 108.800 0.004 0.000 2.337 188 G HA2 -0.366 3.488 3.960 -0.177 0.000 0.290 188 G HA3 -0.366 3.488 3.960 -0.177 0.000 0.290 188 G C 0.010 174.902 174.900 -0.014 0.000 1.003 188 G CA 1.007 46.108 45.100 0.001 0.000 0.825 188 G HN 0.781 nan 8.290 nan 0.000 0.509 189 Q N 0.396 120.179 119.800 -0.028 0.000 2.289 189 Q HA 0.359 4.593 4.340 -0.177 0.000 0.273 189 Q C 0.520 176.487 176.000 -0.056 0.000 1.029 189 Q CA 0.040 55.816 55.803 -0.044 0.000 0.896 189 Q CB 0.253 28.956 28.738 -0.060 0.000 1.182 189 Q HN 0.615 nan 8.270 nan 0.000 0.385 190 E N 3.432 123.608 120.200 -0.041 0.000 2.417 190 E HA -0.041 4.203 4.350 -0.177 0.000 0.261 190 E C -0.234 176.332 176.600 -0.057 0.000 1.000 190 E CA -0.233 56.145 56.400 -0.037 0.000 0.919 190 E CB 0.783 30.469 29.700 -0.023 0.000 0.955 190 E HN 0.553 nan 8.360 nan 0.000 0.455 191 L N 3.423 124.607 121.223 -0.065 0.000 2.924 191 L HA 0.464 4.698 4.340 -0.177 0.000 0.172 191 L C -0.026 176.823 176.870 -0.036 0.000 1.292 191 L CA 0.793 55.583 54.840 -0.084 0.000 0.870 191 L CB -0.051 41.910 42.059 -0.164 0.000 1.305 191 L HN 0.543 nan 8.230 nan 0.000 0.535 192 A N -1.276 121.536 122.820 -0.015 0.000 2.384 192 A HA 0.657 4.871 4.320 -0.177 0.000 0.312 192 A C -2.026 175.565 177.584 0.011 0.000 1.113 192 A CA -1.189 50.853 52.037 0.008 0.000 0.779 192 A CB 0.461 19.478 19.000 0.029 0.000 1.307 192 A HN 0.248 nan 8.150 nan 0.000 0.436 193 P HA -0.199 nan 4.420 nan 0.000 0.219 193 P C 1.025 178.334 177.300 0.016 0.000 1.158 193 P CA 2.436 65.543 63.100 0.011 0.000 0.895 193 P CB 0.238 31.945 31.700 0.012 0.000 0.792 194 G N -1.921 106.894 108.800 0.025 0.000 3.936 194 G HA2 0.386 4.240 3.960 -0.177 0.000 0.296 194 G HA3 0.386 4.240 3.960 -0.177 0.000 0.296 194 G C -0.637 174.292 174.900 0.048 0.000 1.121 194 G CA -0.005 45.114 45.100 0.032 0.000 0.899 194 G HN 0.101 nan 8.290 nan 0.000 0.542 195 V N 0.758 120.700 119.914 0.047 0.000 2.638 195 V HA 0.647 4.661 4.120 -0.177 0.000 0.306 195 V C 0.060 176.175 176.094 0.036 0.000 1.052 195 V CA -0.885 61.460 62.300 0.075 0.000 0.885 195 V CB 1.677 33.551 31.823 0.086 0.000 0.999 195 V HN 0.245 nan 8.190 nan 0.000 0.424 196 V N 1.105 121.062 119.914 0.071 0.000 3.158 196 V HA 0.948 4.963 4.120 -0.177 0.000 0.315 196 V C -0.059 176.049 176.094 0.023 0.000 1.148 196 V CA -0.647 61.672 62.300 0.033 0.000 1.042 196 V CB 2.187 34.042 31.823 0.053 0.000 1.101 196 V HN 0.935 nan 8.190 nan 0.000 0.448 197 S N -0.112 115.584 115.700 -0.007 0.000 2.488 197 S HA 0.337 4.701 4.470 -0.177 0.000 0.151 197 S C 0.577 175.188 174.600 0.019 0.000 1.401 197 S CA -0.223 57.971 58.200 -0.010 0.000 1.221 197 S CB 0.388 63.490 63.200 -0.163 0.000 1.407 197 S HN 1.013 nan 8.310 nan 0.000 0.406 198 R N 2.438 122.969 120.500 0.051 0.000 2.073 198 R HA 0.186 4.420 4.340 -0.177 0.000 0.229 198 R C 0.233 176.557 176.300 0.040 0.000 1.120 198 R CA 0.800 56.922 56.100 0.036 0.000 0.967 198 R CB -0.210 30.112 30.300 0.038 0.000 0.862 198 R HN 0.631 nan 8.270 nan 0.000 0.436 199 L N 3.326 124.590 121.223 0.067 0.000 2.652 199 L HA -0.009 4.225 4.340 -0.177 0.000 0.284 199 L C 0.423 177.327 176.870 0.057 0.000 1.204 199 L CA -0.068 54.814 54.840 0.069 0.000 1.105 199 L CB -0.439 41.678 42.059 0.097 0.000 1.393 199 L HN 0.228 nan 8.230 nan 0.000 0.452 200 D N 1.556 121.976 120.400 0.032 0.000 2.307 200 D HA 0.198 4.732 4.640 -0.177 0.000 0.234 200 D C 0.704 177.014 176.300 0.017 0.000 1.308 200 D CA 1.443 55.453 54.000 0.016 0.000 0.886 200 D CB 1.125 41.931 40.800 0.011 0.000 1.202 200 D HN 0.609 nan 8.370 nan 0.000 0.479 201 G N -0.958 107.844 108.800 0.003 0.000 2.061 201 G HA2 0.063 3.917 3.960 -0.177 0.000 0.059 201 G HA3 0.063 3.917 3.960 -0.177 0.000 0.059 201 G C -1.321 173.569 174.900 -0.017 0.000 1.013 201 G CA 0.056 45.157 45.100 0.000 0.000 1.185 201 G HN 0.649 nan 8.290 nan 0.000 0.410 202 V N 1.111 121.013 119.914 -0.021 0.000 2.817 202 V HA 0.710 4.724 4.120 -0.177 0.000 0.303 202 V C 0.553 176.619 176.094 -0.046 0.000 1.151 202 V CA -0.202 62.075 62.300 -0.037 0.000 0.929 202 V CB 1.333 33.130 31.823 -0.045 0.000 1.030 202 V HN 2.020 nan 8.190 nan 0.000 0.427 203 A N 4.223 127.011 122.820 -0.053 0.000 2.540 203 A HA 0.565 4.779 4.320 -0.177 0.000 0.239 203 A C -0.729 176.810 177.584 -0.076 0.000 1.061 203 A CA 0.446 52.447 52.037 -0.060 0.000 0.758 203 A CB 0.124 19.095 19.000 -0.048 0.000 0.991 203 A HN 1.013 nan 8.150 nan 0.000 0.502 204 L N 3.072 124.243 121.223 -0.085 0.000 2.431 204 L HA 0.612 4.846 4.340 -0.177 0.000 0.266 204 L C -0.690 176.103 176.870 -0.128 0.000 0.978 204 L CA -0.846 53.872 54.840 -0.204 0.000 0.822 204 L CB 1.596 43.513 42.059 -0.236 0.000 1.310 204 L HN 0.709 nan 8.230 nan 0.000 0.409 205 Y N 3.039 123.333 120.300 -0.010 0.000 2.411 205 Y HA 0.585 5.030 4.550 -0.177 0.000 0.333 205 Y C 0.702 176.572 175.900 -0.051 0.000 1.186 205 Y CA -0.352 57.734 58.100 -0.023 0.000 1.381 205 Y CB 0.391 38.823 38.460 -0.046 0.000 1.273 205 Y HN 0.648 nan 8.280 nan 0.000 0.546 206 R N 1.410 122.008 120.500 0.163 0.000 2.450 206 R HA 0.360 4.594 4.340 -0.177 0.000 0.149 206 R C -0.882 175.242 176.300 -0.293 0.000 1.895 206 R CA -0.335 55.754 56.100 -0.018 0.000 1.488 206 R CB 0.292 30.740 30.300 0.248 0.000 1.316 206 R HN 0.574 nan 8.270 nan 0.000 0.474 207 F N 3.544 123.555 119.950 0.103 0.000 2.434 207 F HA 0.393 4.815 4.527 -0.177 0.000 0.367 207 F C -2.103 173.730 175.800 0.055 0.000 1.093 207 F CA -2.597 55.446 58.000 0.073 0.000 1.085 207 F CB 1.286 40.323 39.000 0.062 0.000 1.322 207 F HN 0.026 nan 8.300 nan 0.000 0.452 208 P HA 0.294 nan 4.420 nan 0.000 0.271 208 P C -0.197 177.161 177.300 0.097 0.000 1.244 208 P CA 0.053 63.206 63.100 0.088 0.000 0.793 208 P CB 1.784 33.493 31.700 0.014 0.000 0.984 209 R N -1.369 119.176 120.500 0.075 0.000 2.834 209 R HA 0.206 4.441 4.340 -0.177 0.000 0.129 209 R C 0.826 177.167 176.300 0.068 0.000 0.870 209 R CA -0.240 55.902 56.100 0.070 0.000 1.989 209 R CB 0.460 30.805 30.300 0.076 0.000 1.647 209 R HN 0.336 nan 8.270 nan 0.000 0.512 210 R N 1.198 121.744 120.500 0.077 0.000 2.562 210 R HA 0.627 4.861 4.340 -0.177 0.000 0.298 210 R C -1.412 174.935 176.300 0.079 0.000 0.961 210 R CA -0.532 55.622 56.100 0.090 0.000 0.881 210 R CB 2.514 32.881 30.300 0.112 0.000 1.159 210 R HN -0.188 nan 8.270 nan 0.000 0.450 211 V N 3.605 123.565 119.914 0.076 0.000 2.653 211 V HA 0.307 4.321 4.120 -0.177 0.000 0.298 211 V C -0.227 175.906 176.094 0.065 0.000 1.097 211 V CA -0.902 61.414 62.300 0.026 0.000 0.908 211 V CB 1.663 33.483 31.823 -0.005 0.000 1.024 211 V HN 0.722 nan 8.190 nan 0.000 0.435 212 R N 2.958 123.520 120.500 0.103 0.000 2.679 212 R HA 0.680 4.915 4.340 -0.177 0.000 0.269 212 R C -1.092 175.228 176.300 0.034 0.000 1.076 212 R CA -0.148 56.019 56.100 0.111 0.000 1.160 212 R CB 1.319 31.753 30.300 0.225 0.000 1.054 212 R HN 0.539 nan 8.270 nan 0.000 0.507 213 V N 2.844 122.757 119.914 -0.001 0.000 2.595 213 V HA 0.187 4.201 4.120 -0.177 0.000 0.269 213 V C -0.946 174.976 176.094 -0.288 0.000 0.982 213 V CA -0.778 61.425 62.300 -0.162 0.000 0.873 213 V CB 1.115 32.892 31.823 -0.077 0.000 1.051 213 V HN 0.827 nan 8.190 nan 0.000 0.466 214 E N 3.049 123.082 120.200 -0.278 0.000 2.316 214 E HA 0.436 4.680 4.350 -0.177 0.000 0.275 214 E C -1.459 174.858 176.600 -0.472 0.000 1.029 214 E CA -0.258 55.988 56.400 -0.257 0.000 0.871 214 E CB 1.211 30.820 29.700 -0.152 0.000 1.022 214 E HN 0.636 nan 8.360 nan 0.000 0.418 215 Y N 1.283 121.470 120.300 -0.189 0.000 2.388 215 Y HA 0.179 4.623 4.550 -0.177 0.000 0.328 215 Y C -0.039 175.688 175.900 -0.288 0.000 0.963 215 Y CA -0.885 57.102 58.100 -0.188 0.000 1.240 215 Y CB 1.076 39.448 38.460 -0.146 0.000 1.118 215 Y HN 0.250 nan 8.280 nan 0.000 0.484 216 V N 4.789 124.627 119.914 -0.128 0.000 2.694 216 V HA -0.015 3.999 4.120 -0.177 0.000 0.306 216 V C -0.076 175.913 176.094 -0.174 0.000 1.054 216 V CA 0.027 62.210 62.300 -0.195 0.000 1.161 216 V CB 0.326 32.082 31.823 -0.112 0.000 0.916 216 V HN 0.628 nan 8.190 nan 0.000 0.490 217 K N 5.091 125.333 120.400 -0.263 0.000 2.545 217 K HA 0.537 4.751 4.320 -0.177 0.000 0.252 217 K C -0.873 175.766 176.600 0.065 0.000 0.948 217 K CA -0.693 55.555 56.287 -0.066 0.000 0.827 217 K CB 2.020 34.566 32.500 0.078 0.000 1.128 217 K HN 0.581 nan 8.250 nan 0.000 0.429 218 K N 1.761 122.130 120.400 -0.050 0.000 2.281 218 K HA 0.497 4.711 4.320 -0.177 0.000 0.242 218 K C -0.758 175.709 176.600 -0.222 0.000 0.971 218 K CA -0.815 55.363 56.287 -0.181 0.000 0.834 218 K CB 2.243 34.575 32.500 -0.281 0.000 1.181 218 K HN 0.556 nan 8.250 nan 0.000 0.435 219 E N 0.343 120.337 120.200 -0.343 0.000 2.421 219 E HA 0.190 4.434 4.350 -0.177 0.000 0.276 219 E C -1.813 174.612 176.600 -0.292 0.000 1.154 219 E CA -0.730 55.501 56.400 -0.282 0.000 0.883 219 E CB 1.755 31.303 29.700 -0.253 0.000 1.429 219 E HN 0.433 nan 8.360 nan 0.000 0.436 220 R N 0.536 120.933 120.500 -0.173 0.000 2.740 220 R HA 0.861 5.095 4.340 -0.177 0.000 0.282 220 R C -1.700 174.571 176.300 -0.048 0.000 0.969 220 R CA -0.213 55.833 56.100 -0.091 0.000 0.918 220 R CB 1.938 32.227 30.300 -0.018 0.000 1.175 220 R HN 0.448 nan 8.270 nan 0.000 0.464 221 A N 1.368 124.178 122.820 -0.016 0.000 2.515 221 A HA 0.747 4.961 4.320 -0.177 0.000 0.296 221 A C -1.041 176.519 177.584 -0.040 0.000 1.094 221 A CA -0.696 51.365 52.037 0.039 0.000 0.718 221 A CB 1.989 21.076 19.000 0.144 0.000 1.307 221 A HN 0.764 nan 8.150 nan 0.000 0.408 222 G N -0.017 108.746 108.800 -0.062 0.000 2.470 222 G HA2 0.596 4.450 3.960 -0.177 0.000 0.320 222 G HA3 0.596 4.450 3.960 -0.177 0.000 0.320 222 G C -1.076 173.727 174.900 -0.162 0.000 1.245 222 G CA -0.185 44.729 45.100 -0.310 0.000 0.935 222 G HN 0.823 nan 8.290 nan 0.000 0.476 223 L N 1.264 122.242 121.223 -0.408 0.000 2.177 223 L HA 0.961 5.195 4.340 -0.177 0.000 0.255 223 L C -0.658 176.266 176.870 0.090 0.000 1.065 223 L CA -1.247 53.581 54.840 -0.020 0.000 0.982 223 L CB 2.086 44.119 42.059 -0.043 0.000 1.559 223 L HN 0.457 nan 8.230 nan 0.000 0.492 224 R N 0.392 120.914 120.500 0.036 0.000 2.605 224 R HA 0.697 4.931 4.340 -0.177 0.000 0.291 224 R C -1.589 174.524 176.300 -0.311 0.000 1.226 224 R CA -0.077 56.015 56.100 -0.013 0.000 0.981 224 R CB 0.802 31.195 30.300 0.154 0.000 1.215 224 R HN 0.565 nan 8.270 nan 0.000 0.428 225 L N 2.383 123.457 121.223 -0.248 0.000 2.225 225 L HA 0.736 4.971 4.340 -0.177 0.000 0.257 225 L C -1.948 174.779 176.870 -0.239 0.000 1.101 225 L CA -2.760 51.899 54.840 -0.303 0.000 1.073 225 L CB 1.719 43.660 42.059 -0.197 0.000 1.627 225 L HN 0.314 nan 8.230 nan 0.000 0.518 226 P HA 0.005 nan 4.420 nan 0.000 0.263 226 P C 0.164 177.413 177.300 -0.084 0.000 1.247 226 P CA 0.282 63.304 63.100 -0.129 0.000 0.876 226 P CB 0.421 32.047 31.700 -0.123 0.000 0.928 227 L N 5.804 126.984 121.223 -0.072 0.000 1.899 227 L HA -0.130 4.105 4.340 -0.177 0.000 0.223 227 L C 1.698 178.564 176.870 -0.007 0.000 1.088 227 L CA 1.963 56.780 54.840 -0.038 0.000 0.788 227 L CB -1.106 40.925 42.059 -0.047 0.000 0.889 227 L HN 0.281 nan 8.230 nan 0.000 0.431 228 A N -0.569 122.249 122.820 -0.004 0.000 2.305 228 A HA 0.561 4.775 4.320 -0.177 0.000 0.236 228 A C 0.309 177.915 177.584 0.036 0.000 1.392 228 A CA 0.625 52.672 52.037 0.018 0.000 1.205 228 A CB -1.709 17.298 19.000 0.012 0.000 0.881 228 A HN 0.574 nan 8.150 nan 0.000 0.558 229 A N -1.051 121.794 122.820 0.042 0.000 2.566 229 A HA 0.507 4.721 4.320 -0.177 0.000 0.297 229 A C -1.059 176.585 177.584 0.100 0.000 1.059 229 A CA -0.521 51.563 52.037 0.079 0.000 0.691 229 A CB 0.266 19.291 19.000 0.041 0.000 1.282 229 A HN 0.960 nan 8.150 nan 0.000 0.401 230 W N 2.796 124.096 121.300 0.001 0.000 2.311 230 W HA 0.537 5.091 4.660 -0.177 0.000 0.310 230 W C -0.859 175.671 176.519 0.019 0.000 1.274 230 W CA -0.004 57.345 57.345 0.007 0.000 1.215 230 W CB 1.157 30.618 29.460 0.002 0.000 1.227 230 W HN 0.432 nan 8.180 nan 0.000 0.523 231 V N 6.532 125.913 119.914 -0.888 0.000 3.157 231 V HA 0.162 4.176 4.120 -0.177 0.000 0.361 231 V C -0.810 174.838 176.094 -0.744 0.000 1.421 231 V CA -0.305 61.449 62.300 -0.910 0.000 1.213 231 V CB -0.753 30.823 31.823 -0.411 0.000 1.164 231 V HN 0.586 nan 8.190 nan 0.000 0.559 232 E N -0.643 119.038 120.200 -0.865 0.000 2.481 232 E HA 0.528 4.772 4.350 -0.177 0.000 0.301 232 E C -1.570 175.130 176.600 0.166 0.000 0.948 232 E CA -0.864 55.468 56.400 -0.113 0.000 0.804 232 E CB 2.050 31.741 29.700 -0.017 0.000 1.265 232 E HN 0.144 nan 8.360 nan 0.000 0.406 233 K N 1.464 121.968 120.400 0.174 0.000 2.267 233 K HA 0.232 4.446 4.320 -0.177 0.000 0.246 233 K C 0.646 177.147 176.600 -0.165 0.000 0.954 233 K CA -0.829 55.481 56.287 0.038 0.000 0.824 233 K CB 1.659 34.112 32.500 -0.079 0.000 1.167 233 K HN 0.449 nan 8.250 nan 0.000 0.431 234 E N 0.791 120.963 120.200 -0.046 0.000 2.171 234 E HA -0.179 4.065 4.350 -0.177 0.000 0.197 234 E C 1.004 177.582 176.600 -0.037 0.000 0.997 234 E CA 1.020 57.413 56.400 -0.012 0.000 0.810 234 E CB -0.168 29.528 29.700 -0.006 0.000 0.738 234 E HN 0.664 nan 8.360 nan 0.000 0.467 235 A N 0.623 123.355 122.820 -0.146 0.000 2.176 235 A HA -0.036 4.178 4.320 -0.177 0.000 0.214 235 A C -0.008 177.589 177.584 0.023 0.000 1.327 235 A CA 0.277 52.261 52.037 -0.090 0.000 1.015 235 A CB -0.992 17.933 19.000 -0.124 0.000 0.818 235 A HN 0.157 nan 8.150 nan 0.000 0.500 236 Y N -0.687 119.647 120.300 0.057 0.000 2.429 236 Y HA 0.494 4.938 4.550 -0.177 0.000 0.342 236 Y C 0.515 176.440 175.900 0.041 0.000 1.004 236 Y CA -1.292 56.837 58.100 0.049 0.000 1.075 236 Y CB 1.662 40.151 38.460 0.048 0.000 1.214 236 Y HN 0.087 nan 8.280 nan 0.000 0.455 237 K N 1.540 122.061 120.400 0.202 0.000 1.961 237 K HA 0.396 4.610 4.320 -0.177 0.000 0.247 237 K C -2.933 173.709 176.600 0.069 0.000 0.976 237 K CA -1.725 54.632 56.287 0.116 0.000 0.828 237 K CB 0.090 32.648 32.500 0.096 0.000 1.585 237 K HN 0.330 nan 8.250 nan 0.000 0.537 238 P HA 0.188 nan 4.420 nan 0.000 0.279 238 P C 0.018 177.335 177.300 0.027 0.000 1.318 238 P CA 0.324 63.448 63.100 0.041 0.000 0.819 238 P CB -0.038 31.691 31.700 0.049 0.000 0.927 239 G N 2.090 110.895 108.800 0.007 0.000 2.188 239 G HA2 -0.095 3.759 3.960 -0.177 0.000 0.112 239 G HA3 -0.095 3.759 3.960 -0.177 0.000 0.112 239 G C -0.255 174.619 174.900 -0.044 0.000 1.048 239 G CA -0.518 44.579 45.100 -0.005 0.000 0.720 239 G HN 0.480 nan 8.290 nan 0.000 0.487 240 E N -0.697 119.444 120.200 -0.097 0.000 2.449 240 E HA 0.658 4.902 4.350 -0.177 0.000 0.254 240 E C 0.497 176.963 176.600 -0.223 0.000 0.907 240 E CA -0.883 55.391 56.400 -0.211 0.000 0.840 240 E CB 1.443 30.890 29.700 -0.422 0.000 1.459 240 E HN 0.233 nan 8.360 nan 0.000 0.407 241 I N 0.803 121.186 120.570 -0.312 0.000 2.834 241 I HA 0.064 4.128 4.170 -0.177 0.000 0.305 241 I C 0.909 176.875 176.117 -0.250 0.000 1.008 241 I CA -0.056 61.104 61.300 -0.233 0.000 1.273 241 I CB 0.586 38.466 38.000 -0.201 0.000 1.432 241 I HN 0.335 nan 8.210 nan 0.000 0.557 242 L N 3.313 124.434 121.223 -0.169 0.000 3.468 242 L HA 0.605 4.839 4.340 -0.177 0.000 0.181 242 L C 0.514 177.289 176.870 -0.158 0.000 1.344 242 L CA 0.474 55.229 54.840 -0.143 0.000 1.236 242 L CB -0.290 41.706 42.059 -0.105 0.000 1.635 242 L HN 0.638 nan 8.230 nan 0.000 0.759 243 A N -0.441 122.292 122.820 -0.146 0.000 2.247 243 A HA 0.662 4.876 4.320 -0.177 0.000 0.313 243 A C -0.820 176.689 177.584 -0.125 0.000 1.109 243 A CA -0.123 51.823 52.037 -0.151 0.000 0.890 243 A CB 0.552 19.459 19.000 -0.155 0.000 1.239 243 A HN 0.469 nan 8.150 nan 0.000 0.506 244 E N -0.252 119.884 120.200 -0.106 0.000 2.647 244 E HA 0.322 4.566 4.350 -0.177 0.000 0.320 244 E C -1.327 175.242 176.600 -0.051 0.000 0.951 244 E CA -0.588 55.765 56.400 -0.078 0.000 0.809 244 E CB 0.528 30.175 29.700 -0.088 0.000 1.295 244 E HN 0.712 nan 8.360 nan 0.000 0.407 245 L N 3.594 124.797 121.223 -0.032 0.000 3.943 245 L HA -0.171 4.063 4.340 -0.177 0.000 0.529 245 L C -2.249 174.616 176.870 -0.009 0.000 1.173 245 L CA 0.247 55.077 54.840 -0.016 0.000 0.737 245 L CB -0.943 41.109 42.059 -0.013 0.000 1.321 245 L HN 0.425 nan 8.230 nan 0.000 0.794 246 P HA 0.216 nan 4.420 nan 0.000 0.280 246 P C -0.591 176.729 177.300 0.033 0.000 1.477 246 P CA -0.304 62.804 63.100 0.013 0.000 1.057 246 P CB 1.487 33.194 31.700 0.011 0.000 1.181 247 E N 5.855 126.069 120.200 0.022 0.000 2.003 247 E HA 0.247 4.491 4.350 -0.177 0.000 0.279 247 E C -2.074 174.541 176.600 0.026 0.000 1.132 247 E CA -1.170 55.243 56.400 0.021 0.000 0.888 247 E CB 0.510 30.217 29.700 0.011 0.000 1.056 247 E HN 0.346 nan 8.360 nan 0.000 0.399 248 P HA 0.182 nan 4.420 nan 0.000 0.331 248 P C -1.740 175.598 177.300 0.063 0.000 1.635 248 P CA -0.731 62.391 63.100 0.036 0.000 1.342 248 P CB 0.767 32.469 31.700 0.003 0.000 1.714 249 Y N 4.531 124.825 120.300 -0.009 0.000 2.531 249 Y HA 0.433 4.877 4.550 -0.177 0.000 0.347 249 Y C -0.742 175.172 175.900 0.024 0.000 1.024 249 Y CA -0.294 57.807 58.100 0.002 0.000 1.306 249 Y CB 0.335 38.787 38.460 -0.013 0.000 1.149 249 Y HN 0.304 nan 8.280 nan 0.000 0.527 250 L N 9.063 129.871 121.223 -0.692 0.000 2.549 250 L HA 0.383 4.617 4.340 -0.177 0.000 0.260 250 L C -2.246 174.393 176.870 -0.384 0.000 1.109 250 L CA -0.464 54.046 54.840 -0.550 0.000 0.900 250 L CB 0.050 41.971 42.059 -0.230 0.000 1.119 250 L HN 0.476 nan 8.230 nan 0.000 0.471 251 F N 2.592 122.082 119.950 -0.768 0.000 2.585 251 F HA 0.662 5.083 4.527 -0.177 0.000 0.350 251 F C 0.174 175.869 175.800 -0.175 0.000 1.074 251 F CA -0.859 56.951 58.000 -0.315 0.000 1.032 251 F CB 1.320 40.272 39.000 -0.080 0.000 1.330 251 F HN 0.455 nan 8.300 nan 0.000 0.495 252 R N 2.154 122.078 120.500 -0.960 0.000 2.239 252 R HA 0.683 4.917 4.340 -0.177 0.000 0.332 252 R C -0.988 175.050 176.300 -0.437 0.000 0.988 252 R CA -0.431 55.277 56.100 -0.653 0.000 0.859 252 R CB 0.369 30.261 30.300 -0.680 0.000 1.148 252 R HN 0.732 nan 8.270 nan 0.000 0.482 253 A N 2.912 125.616 122.820 -0.193 0.000 2.259 253 A HA 0.310 4.524 4.320 -0.177 0.000 0.278 253 A C -0.124 177.404 177.584 -0.093 0.000 1.107 253 A CA -0.382 51.608 52.037 -0.077 0.000 0.828 253 A CB 0.588 19.526 19.000 -0.102 0.000 1.111 253 A HN 0.816 nan 8.150 nan 0.000 0.498 254 E N -0.185 119.996 120.200 -0.032 0.000 3.843 254 E HA 0.239 4.483 4.350 -0.177 0.000 0.189 254 E C -1.385 175.218 176.600 0.005 0.000 1.013 254 E CA 0.074 56.456 56.400 -0.030 0.000 1.395 254 E CB 0.820 30.500 29.700 -0.034 0.000 1.136 254 E HN 0.583 nan 8.360 nan 0.000 0.444 255 E N 1.678 121.895 120.200 0.029 0.000 2.565 255 E HA 0.067 4.311 4.350 -0.177 0.000 0.343 255 E C -0.778 175.870 176.600 0.080 0.000 0.968 255 E CA -0.154 56.284 56.400 0.064 0.000 0.773 255 E CB 0.508 30.271 29.700 0.105 0.000 1.513 255 E HN 0.230 nan 8.360 nan 0.000 0.384 256 E N 1.747 121.968 120.200 0.035 0.000 2.561 256 E HA 0.857 5.101 4.350 -0.177 0.000 0.254 256 E C 0.481 177.107 176.600 0.044 0.000 1.213 256 E CA -0.731 55.685 56.400 0.026 0.000 0.995 256 E CB 1.640 31.334 29.700 -0.009 0.000 1.233 256 E HN 0.400 nan 8.360 nan 0.000 0.556 257 G N -0.724 108.094 108.800 0.030 0.000 2.565 257 G HA2 0.225 4.079 3.960 -0.177 0.000 0.142 257 G HA3 0.225 4.079 3.960 -0.177 0.000 0.142 257 G C -1.457 173.451 174.900 0.014 0.000 1.181 257 G CA -0.340 44.778 45.100 0.030 0.000 1.066 257 G HN 0.406 nan 8.290 nan 0.000 0.530 258 V N 1.837 121.762 119.914 0.019 0.000 2.277 258 V HA 0.472 4.486 4.120 -0.177 0.000 0.269 258 V C 0.853 176.951 176.094 0.006 0.000 1.036 258 V CA -0.482 61.822 62.300 0.007 0.000 0.821 258 V CB 0.681 32.510 31.823 0.011 0.000 1.052 258 V HN 0.891 nan 8.190 nan 0.000 0.462 259 V N 5.850 125.757 119.914 -0.011 0.000 2.843 259 V HA 0.125 4.139 4.120 -0.177 0.000 0.305 259 V C 0.171 176.259 176.094 -0.010 0.000 1.120 259 V CA 0.921 63.209 62.300 -0.021 0.000 1.254 259 V CB 0.640 32.434 31.823 -0.047 0.000 0.901 259 V HN 1.012 nan 8.190 nan 0.000 0.503 260 E N 6.011 126.208 120.200 -0.006 0.000 2.499 260 E HA 0.321 4.565 4.350 -0.177 0.000 0.327 260 E C -1.334 175.287 176.600 0.035 0.000 0.929 260 E CA -0.434 55.980 56.400 0.022 0.000 0.788 260 E CB 1.388 31.117 29.700 0.049 0.000 1.452 260 E HN 0.687 nan 8.360 nan 0.000 0.387 261 L N 3.010 124.253 121.223 0.035 0.000 2.290 261 L HA 0.391 4.625 4.340 -0.177 0.000 0.284 261 L C 0.364 177.296 176.870 0.104 0.000 1.078 261 L CA -0.231 54.645 54.840 0.059 0.000 0.815 261 L CB 0.752 42.831 42.059 0.034 0.000 1.162 261 L HN 0.310 nan 8.230 nan 0.000 0.435 262 K N 3.252 123.754 120.400 0.171 0.000 2.109 262 K HA 0.322 4.536 4.320 -0.177 0.000 0.243 262 K C -0.329 176.322 176.600 0.085 0.000 1.006 262 K CA -0.632 55.739 56.287 0.141 0.000 0.917 262 K CB 1.096 33.692 32.500 0.159 0.000 1.081 262 K HN 0.681 nan 8.250 nan 0.000 0.468 263 E N 2.731 122.957 120.200 0.044 0.000 2.212 263 E HA 0.492 4.736 4.350 -0.177 0.000 0.270 263 E C -0.777 175.780 176.600 -0.071 0.000 0.956 263 E CA -0.839 55.576 56.400 0.025 0.000 0.825 263 E CB 1.458 31.200 29.700 0.069 0.000 1.167 263 E HN 0.401 nan 8.360 nan 0.000 0.400 264 L N 0.298 121.497 121.223 -0.039 0.000 2.485 264 L HA 0.268 4.502 4.340 -0.177 0.000 0.245 264 L C 0.865 177.755 176.870 0.033 0.000 1.137 264 L CA -0.824 53.974 54.840 -0.070 0.000 0.954 264 L CB 1.673 43.654 42.059 -0.131 0.000 1.560 264 L HN 0.720 nan 8.230 nan 0.000 0.403 265 E N -0.321 119.910 120.200 0.051 0.000 2.435 265 E HA -0.029 4.215 4.350 -0.177 0.000 0.195 265 E C -0.494 176.130 176.600 0.041 0.000 1.029 265 E CA 0.714 57.148 56.400 0.058 0.000 0.865 265 E CB 0.537 30.276 29.700 0.066 0.000 0.833 265 E HN 0.482 nan 8.360 nan 0.000 0.510 266 E N -0.925 119.298 120.200 0.039 0.000 4.126 266 E HA 0.294 4.538 4.350 -0.177 0.000 0.198 266 E C -0.666 175.978 176.600 0.073 0.000 1.093 266 E CA -0.130 56.297 56.400 0.044 0.000 1.471 266 E CB 1.401 31.126 29.700 0.043 0.000 1.190 266 E HN 0.156 nan 8.360 nan 0.000 0.407 267 G N -0.020 108.823 108.800 0.071 0.000 2.718 267 G HA2 0.712 4.567 3.960 -0.177 0.000 0.295 267 G HA3 0.712 4.567 3.960 -0.177 0.000 0.295 267 G C -1.308 173.666 174.900 0.123 0.000 1.421 267 G CA -0.551 44.639 45.100 0.149 0.000 0.902 267 G HN 0.181 nan 8.290 nan 0.000 0.501 268 A N 1.024 123.941 122.820 0.162 0.000 2.855 268 A HA 0.597 4.811 4.320 -0.177 0.000 0.313 268 A C -1.160 176.544 177.584 0.200 0.000 1.173 268 A CA -0.561 51.552 52.037 0.127 0.000 0.753 268 A CB 0.190 19.216 19.000 0.043 0.000 1.200 268 A HN 1.077 nan 8.150 nan 0.000 0.442 269 F N 2.521 122.561 119.950 0.151 0.000 2.399 269 F HA 0.626 5.047 4.527 -0.177 0.000 0.342 269 F C -0.333 175.540 175.800 0.121 0.000 1.106 269 F CA -0.988 57.134 58.000 0.204 0.000 1.196 269 F CB 1.039 40.123 39.000 0.140 0.000 1.163 269 F HN 0.388 nan 8.300 nan 0.000 0.547 270 L N 7.207 127.969 121.223 -0.769 0.000 2.287 270 L HA 0.540 4.774 4.340 -0.177 0.000 0.287 270 L C -1.305 175.235 176.870 -0.551 0.000 1.022 270 L CA -0.574 53.981 54.840 -0.475 0.000 0.814 270 L CB 1.150 43.081 42.059 -0.213 0.000 1.217 270 L HN 0.415 nan 8.230 nan 0.000 0.420 271 V N 6.741 126.557 119.914 -0.164 0.000 2.439 271 V HA 0.346 4.360 4.120 -0.177 0.000 0.282 271 V C 0.252 176.359 176.094 0.022 0.000 1.039 271 V CA -0.469 61.828 62.300 -0.005 0.000 0.913 271 V CB 1.552 33.441 31.823 0.109 0.000 0.983 271 V HN 0.596 nan 8.190 nan 0.000 0.460 272 L N 6.002 127.260 121.223 0.059 0.000 2.506 272 L HA 0.429 4.663 4.340 -0.177 0.000 0.247 272 L C 0.764 177.670 176.870 0.061 0.000 1.141 272 L CA -0.283 54.604 54.840 0.078 0.000 0.973 272 L CB 0.469 42.626 42.059 0.163 0.000 1.319 272 L HN 0.592 nan 8.230 nan 0.000 0.455 273 R N 1.604 122.130 120.500 0.044 0.000 4.113 273 R HA -0.018 4.216 4.340 -0.177 0.000 0.179 273 R C 1.528 177.845 176.300 0.029 0.000 1.781 273 R CA -0.109 56.012 56.100 0.036 0.000 1.402 273 R CB -0.251 30.067 30.300 0.030 0.000 1.375 273 R HN 0.511 nan 8.270 nan 0.000 0.786 274 R N 1.291 121.812 120.500 0.034 0.000 2.115 274 R HA -0.209 4.025 4.340 -0.177 0.000 0.239 274 R C 0.298 176.609 176.300 0.019 0.000 1.133 274 R CA 1.750 57.866 56.100 0.026 0.000 0.935 274 R CB 0.308 30.627 30.300 0.030 0.000 0.853 274 R HN 0.455 nan 8.270 nan 0.000 0.433 275 E N -1.813 118.399 120.200 0.020 0.000 2.698 275 E HA 0.115 4.359 4.350 -0.177 0.000 0.185 275 E C 0.498 177.109 176.600 0.018 0.000 0.702 275 E CA -0.568 55.841 56.400 0.016 0.000 1.104 275 E CB 0.336 30.045 29.700 0.015 0.000 1.831 275 E HN 0.057 nan 8.360 nan 0.000 0.370 276 D N 0.942 121.352 120.400 0.016 0.000 2.183 276 D HA -0.073 4.461 4.640 -0.177 0.000 0.203 276 D C 0.495 176.808 176.300 0.021 0.000 0.969 276 D CA 0.797 54.807 54.000 0.017 0.000 0.842 276 D CB -0.051 40.757 40.800 0.014 0.000 0.957 276 D HN 0.320 nan 8.370 nan 0.000 0.484 277 E N 1.993 122.206 120.200 0.021 0.000 2.408 277 E HA 0.052 4.296 4.350 -0.177 0.000 0.259 277 E C -2.239 174.378 176.600 0.030 0.000 1.110 277 E CA -1.318 55.096 56.400 0.023 0.000 0.929 277 E CB 0.806 30.518 29.700 0.021 0.000 0.971 277 E HN -0.113 nan 8.360 nan 0.000 0.438 278 P HA 0.033 nan 4.420 nan 0.000 0.266 278 P C 0.326 177.647 177.300 0.035 0.000 1.586 278 P CA -0.093 63.029 63.100 0.038 0.000 1.088 278 P CB 0.851 32.573 31.700 0.037 0.000 1.584 279 V N 2.256 122.195 119.914 0.040 0.000 2.548 279 V HA 0.058 4.072 4.120 -0.177 0.000 0.249 279 V C 1.205 177.329 176.094 0.050 0.000 1.055 279 V CA 1.987 64.314 62.300 0.045 0.000 1.065 279 V CB -0.621 31.233 31.823 0.053 0.000 0.681 279 V HN 0.701 nan 8.190 nan 0.000 0.462 280 A N -0.559 122.283 122.820 0.036 0.000 2.594 280 A HA 0.637 4.851 4.320 -0.177 0.000 0.296 280 A C -0.367 177.076 177.584 -0.236 0.000 1.061 280 A CA 0.076 52.078 52.037 -0.057 0.000 0.689 280 A CB 1.351 20.479 19.000 0.213 0.000 1.280 280 A HN 0.216 nan 8.150 nan 0.000 0.406 281 T N -0.582 113.626 114.554 -0.576 0.000 2.812 281 T HA 0.771 5.015 4.350 -0.177 0.000 0.282 281 T C -1.204 172.983 174.700 -0.856 0.000 0.990 281 T CA -0.421 61.445 62.100 -0.390 0.000 0.960 281 T CB 0.633 69.534 68.868 0.055 0.000 0.948 281 T HN 0.669 nan 8.240 nan 0.000 0.438 282 Y N 2.185 122.364 120.300 -0.201 0.000 2.401 282 Y HA 0.638 5.082 4.550 -0.177 0.000 0.330 282 Y C -0.898 174.843 175.900 -0.264 0.000 1.071 282 Y CA -1.541 56.480 58.100 -0.131 0.000 1.049 282 Y CB 1.678 40.062 38.460 -0.127 0.000 1.239 282 Y HN 0.844 nan 8.280 nan 0.000 0.437 283 F N 4.354 124.415 119.950 0.184 0.000 2.522 283 F HA 0.830 5.251 4.527 -0.177 0.000 0.324 283 F C -1.709 174.174 175.800 0.139 0.000 1.077 283 F CA -1.839 56.347 58.000 0.310 0.000 0.944 283 F CB 1.261 40.540 39.000 0.465 0.000 1.175 283 F HN 0.372 nan 8.300 nan 0.000 0.468 284 L N 7.427 128.027 121.223 -1.038 0.000 2.442 284 L HA 0.393 4.628 4.340 -0.177 0.000 0.261 284 L C -2.482 173.723 176.870 -1.108 0.000 1.000 284 L CA -1.876 52.430 54.840 -0.890 0.000 0.882 284 L CB 1.441 43.295 42.059 -0.342 0.000 1.207 284 L HN 0.439 nan 8.230 nan 0.000 0.443 285 P HA 0.047 nan 4.420 nan 0.000 0.272 285 P C 0.151 177.328 177.300 -0.205 0.000 1.240 285 P CA -0.253 62.597 63.100 -0.418 0.000 0.791 285 P CB 1.119 32.745 31.700 -0.124 0.000 0.978 286 V N 1.212 121.083 119.914 -0.072 0.000 2.717 286 V HA 0.095 4.109 4.120 -0.177 0.000 0.302 286 V C 1.829 177.878 176.094 -0.076 0.000 1.097 286 V CA 2.306 64.572 62.300 -0.056 0.000 1.262 286 V CB -0.953 30.855 31.823 -0.025 0.000 0.846 286 V HN 1.145 nan 8.190 nan 0.000 0.485 287 G N 4.267 113.024 108.800 -0.072 0.000 2.699 287 G HA2 -0.164 3.690 3.960 -0.177 0.000 0.198 287 G HA3 -0.164 3.690 3.960 -0.177 0.000 0.198 287 G C -0.139 174.725 174.900 -0.061 0.000 1.033 287 G CA 0.052 45.114 45.100 -0.064 0.000 0.728 287 G HN 0.618 nan 8.290 nan 0.000 0.484 288 M N 3.477 123.021 119.600 -0.093 0.000 2.088 288 M HA 0.639 5.014 4.480 -0.177 0.000 0.346 288 M C 0.128 176.386 176.300 -0.070 0.000 1.111 288 M CA -0.422 54.835 55.300 -0.073 0.000 1.017 288 M CB 0.988 33.529 32.600 -0.098 0.000 1.568 288 M HN 0.074 nan 8.290 nan 0.000 0.445 289 T N 7.602 122.132 114.554 -0.040 0.000 2.775 289 T HA 0.301 4.545 4.350 -0.177 0.000 0.287 289 T C -2.388 172.292 174.700 -0.033 0.000 0.909 289 T CA -0.858 61.222 62.100 -0.034 0.000 1.081 289 T CB -0.379 68.474 68.868 -0.025 0.000 0.891 289 T HN 0.469 nan 8.240 nan 0.000 0.544 290 P HA 0.196 nan 4.420 nan 0.000 0.268 290 P C -0.380 176.912 177.300 -0.012 0.000 1.541 290 P CA -0.692 62.387 63.100 -0.035 0.000 1.093 290 P CB 0.274 31.949 31.700 -0.041 0.000 1.551 291 L N 4.809 126.032 121.223 0.000 0.000 2.534 291 L HA -0.064 4.170 4.340 -0.177 0.000 0.271 291 L C 1.777 178.665 176.870 0.031 0.000 1.178 291 L CA 0.551 55.424 54.840 0.055 0.000 0.907 291 L CB 0.132 42.246 42.059 0.092 0.000 1.164 291 L HN 0.140 nan 8.230 nan 0.000 0.482 292 V N 5.376 125.299 119.914 0.016 0.000 2.282 292 V HA -0.292 3.722 4.120 -0.177 0.000 0.227 292 V C 1.872 177.906 176.094 -0.101 0.000 0.985 292 V CA 2.160 64.433 62.300 -0.046 0.000 1.002 292 V CB -0.872 30.919 31.823 -0.055 0.000 0.655 292 V HN 0.757 nan 8.190 nan 0.000 0.484 293 V N -1.647 118.139 119.914 -0.212 0.000 3.510 293 V HA 0.039 4.053 4.120 -0.177 0.000 0.270 293 V C 1.002 176.935 176.094 -0.269 0.000 1.201 293 V CA 0.712 62.868 62.300 -0.239 0.000 1.166 293 V CB -1.385 30.277 31.823 -0.268 0.000 0.825 293 V HN 0.678 nan 8.190 nan 0.000 0.484 294 H N 2.034 121.076 119.070 -0.046 0.000 2.934 294 H HA 0.595 5.045 4.556 -0.177 0.000 0.273 294 H C 1.047 176.331 175.328 -0.073 0.000 1.121 294 H CA 0.512 56.527 56.048 -0.054 0.000 1.451 294 H CB 0.886 30.616 29.762 -0.052 0.000 1.469 294 H HN 0.490 nan 8.280 nan 0.000 0.476 295 G N 3.070 111.885 108.800 0.025 0.000 4.112 295 G HA2 -0.051 3.803 3.960 -0.177 0.000 0.223 295 G HA3 -0.051 3.803 3.960 -0.177 0.000 0.223 295 G C -0.641 174.227 174.900 -0.053 0.000 0.883 295 G CA -0.615 44.463 45.100 -0.038 0.000 1.195 295 G HN 0.417 nan 8.290 nan 0.000 0.730 296 E N 0.213 120.393 120.200 -0.033 0.000 2.378 296 E HA 0.623 4.867 4.350 -0.177 0.000 0.282 296 E C 0.247 176.832 176.600 -0.025 0.000 0.910 296 E CA -0.715 55.664 56.400 -0.035 0.000 0.816 296 E CB 2.082 31.762 29.700 -0.033 0.000 1.359 296 E HN 0.122 nan 8.360 nan 0.000 0.397 297 I N 1.014 121.566 120.570 -0.029 0.000 4.239 297 I HA 0.142 4.206 4.170 -0.177 0.000 0.282 297 I C -0.644 175.457 176.117 -0.027 0.000 1.112 297 I CA 0.458 61.743 61.300 -0.024 0.000 1.324 297 I CB 1.167 39.153 38.000 -0.023 0.000 1.786 297 I HN 0.297 nan 8.210 nan 0.000 0.427 298 V N 2.843 122.735 119.914 -0.036 0.000 2.872 298 V HA 0.295 4.309 4.120 -0.177 0.000 0.367 298 V C -0.592 175.473 176.094 -0.048 0.000 1.343 298 V CA -0.361 61.917 62.300 -0.037 0.000 1.219 298 V CB 0.181 31.981 31.823 -0.038 0.000 1.308 298 V HN 0.434 nan 8.190 nan 0.000 0.610 299 E N 1.434 121.604 120.200 -0.050 0.000 2.332 299 E HA -0.255 3.989 4.350 -0.177 0.000 0.162 299 E C 0.166 176.713 176.600 -0.089 0.000 1.637 299 E CA 0.400 56.764 56.400 -0.061 0.000 0.654 299 E CB -0.604 29.070 29.700 -0.043 0.000 1.072 299 E HN 0.675 nan 8.360 nan 0.000 0.336 300 K N 0.419 120.754 120.400 -0.107 0.000 2.646 300 K HA 0.218 4.432 4.320 -0.177 0.000 0.206 300 K C 0.942 177.430 176.600 -0.187 0.000 1.069 300 K CA 0.231 56.429 56.287 -0.149 0.000 1.067 300 K CB 1.034 33.457 32.500 -0.128 0.000 0.807 300 K HN 0.514 nan 8.250 nan 0.000 0.482 301 G N 2.400 111.096 108.800 -0.174 0.000 2.283 301 G HA2 -0.374 3.480 3.960 -0.177 0.000 0.280 301 G HA3 -0.374 3.480 3.960 -0.177 0.000 0.280 301 G C 0.747 175.548 174.900 -0.165 0.000 1.029 301 G CA 0.926 45.915 45.100 -0.184 0.000 0.840 301 G HN 0.535 nan 8.290 nan 0.000 0.505 302 Q N 0.270 119.989 119.800 -0.134 0.000 2.173 302 Q HA -0.109 4.125 4.340 -0.177 0.000 0.208 302 Q C -0.958 174.988 176.000 -0.090 0.000 0.989 302 Q CA 1.446 57.189 55.803 -0.101 0.000 0.872 302 Q CB -0.610 28.089 28.738 -0.066 0.000 0.909 302 Q HN 0.546 nan 8.270 nan 0.000 0.420 303 P HA -0.061 nan 4.420 nan 0.000 0.263 303 P C -0.713 176.528 177.300 -0.099 0.000 1.276 303 P CA 0.720 63.769 63.100 -0.087 0.000 0.986 303 P CB -0.066 31.555 31.700 -0.132 0.000 1.105 304 L N 2.456 123.626 121.223 -0.088 0.000 2.803 304 L HA 0.166 4.400 4.340 -0.177 0.000 0.241 304 L C 1.385 178.200 176.870 -0.092 0.000 1.404 304 L CA -0.520 54.255 54.840 -0.108 0.000 1.211 304 L CB -0.853 41.143 42.059 -0.105 0.000 1.585 304 L HN 0.295 nan 8.230 nan 0.000 0.430 305 A N 0.991 123.765 122.820 -0.076 0.000 2.507 305 A HA 0.144 4.358 4.320 -0.177 0.000 0.235 305 A C 0.402 177.965 177.584 -0.035 0.000 1.070 305 A CA 0.066 52.081 52.037 -0.037 0.000 0.768 305 A CB 0.141 19.140 19.000 -0.000 0.000 1.011 305 A HN 0.559 nan 8.150 nan 0.000 0.502 306 E N 1.086 121.282 120.200 -0.007 0.000 2.101 306 E HA 0.439 4.683 4.350 -0.177 0.000 0.260 306 E C -0.535 176.100 176.600 0.058 0.000 0.897 306 E CA -0.441 55.963 56.400 0.007 0.000 0.744 306 E CB 1.484 31.174 29.700 -0.015 0.000 1.140 306 E HN 0.703 nan 8.360 nan 0.000 0.419 307 A N 4.619 127.533 122.820 0.156 0.000 2.350 307 A HA 0.281 4.495 4.320 -0.177 0.000 0.293 307 A C -0.238 177.392 177.584 0.076 0.000 1.231 307 A CA -0.231 51.890 52.037 0.139 0.000 0.883 307 A CB 0.153 19.286 19.000 0.223 0.000 1.133 307 A HN 0.302 nan 8.150 nan 0.000 0.533 308 K N 1.977 122.391 120.400 0.023 0.000 2.468 308 K HA 0.615 4.829 4.320 -0.177 0.000 0.252 308 K C 0.654 177.245 176.600 -0.015 0.000 0.932 308 K CA 0.210 56.500 56.287 0.006 0.000 0.794 308 K CB 1.661 34.162 32.500 0.002 0.000 1.241 308 K HN 1.365 nan 8.250 nan 0.000 0.428 309 G N 1.572 110.360 108.800 -0.019 0.000 2.564 309 G HA2 -0.311 3.543 3.960 -0.177 0.000 0.309 309 G HA3 -0.311 3.543 3.960 -0.177 0.000 0.309 309 G C -0.213 174.660 174.900 -0.046 0.000 1.320 309 G CA -0.122 44.960 45.100 -0.030 0.000 0.941 309 G HN 0.566 nan 8.290 nan 0.000 0.543 310 L N 0.273 121.468 121.223 -0.046 0.000 2.827 310 L HA 0.131 4.365 4.340 -0.177 0.000 0.280 310 L C 0.796 177.626 176.870 -0.065 0.000 1.122 310 L CA 0.101 54.905 54.840 -0.060 0.000 1.044 310 L CB -0.433 41.597 42.059 -0.049 0.000 1.402 310 L HN 0.310 nan 8.230 nan 0.000 0.467 311 L N 4.862 126.036 121.223 -0.082 0.000 2.719 311 L HA 0.304 4.538 4.340 -0.177 0.000 0.236 311 L C 0.940 177.755 176.870 -0.092 0.000 1.285 311 L CA -0.323 54.465 54.840 -0.086 0.000 1.222 311 L CB -0.367 41.634 42.059 -0.097 0.000 1.493 311 L HN 0.606 nan 8.230 nan 0.000 0.415 312 R N 0.870 121.322 120.500 -0.079 0.000 2.905 312 R HA 0.228 4.462 4.340 -0.177 0.000 0.273 312 R C -0.090 176.190 176.300 -0.034 0.000 1.033 312 R CA -0.094 55.963 56.100 -0.072 0.000 1.182 312 R CB 0.402 30.666 30.300 -0.061 0.000 1.097 312 R HN 0.168 nan 8.270 nan 0.000 0.504 313 M N 1.164 120.757 119.600 -0.010 0.000 2.456 313 M HA 0.381 4.755 4.480 -0.177 0.000 0.324 313 M C -2.459 173.875 176.300 0.056 0.000 1.124 313 M CA -2.624 52.716 55.300 0.066 0.000 0.959 313 M CB 1.797 34.440 32.600 0.073 0.000 1.692 313 M HN 0.185 nan 8.290 nan 0.000 0.444 314 P HA 0.093 nan 4.420 nan 0.000 0.265 314 P C -0.550 176.772 177.300 0.038 0.000 1.187 314 P CA 0.210 63.342 63.100 0.054 0.000 0.766 314 P CB 0.450 32.177 31.700 0.046 0.000 0.820 315 R N 1.617 122.139 120.500 0.037 0.000 2.299 315 R HA -0.074 4.160 4.340 -0.177 0.000 0.197 315 R C 1.894 178.225 176.300 0.052 0.000 0.971 315 R CA 0.825 56.947 56.100 0.037 0.000 1.030 315 R CB -0.672 29.647 30.300 0.031 0.000 0.932 315 R HN 0.610 nan 8.270 nan 0.000 0.477 316 Q N -0.574 119.267 119.800 0.069 0.000 2.378 316 Q HA 0.054 4.288 4.340 -0.177 0.000 0.205 316 Q C 0.191 176.272 176.000 0.136 0.000 0.954 316 Q CA 0.608 56.477 55.803 0.110 0.000 0.901 316 Q CB 0.366 29.203 28.738 0.165 0.000 0.981 316 Q HN 0.133 nan 8.270 nan 0.000 0.483 317 V N 1.331 121.298 119.914 0.089 0.000 2.443 317 V HA 0.354 4.368 4.120 -0.177 0.000 0.293 317 V C -0.630 175.495 176.094 0.053 0.000 1.021 317 V CA -1.044 61.308 62.300 0.087 0.000 0.848 317 V CB 1.619 33.448 31.823 0.010 0.000 0.998 317 V HN 0.341 nan 8.190 nan 0.000 0.424 318 R N 4.866 125.411 120.500 0.076 0.000 2.801 318 R HA 0.725 4.960 4.340 -0.177 0.000 0.273 318 R C -0.216 176.138 176.300 0.090 0.000 1.080 318 R CA 0.685 56.834 56.100 0.081 0.000 1.197 318 R CB 1.102 31.458 30.300 0.093 0.000 1.109 318 R HN 1.056 nan 8.270 nan 0.000 0.535 319 A N 0.233 123.116 122.820 0.105 0.000 2.586 319 A HA 0.712 4.927 4.320 -0.177 0.000 0.291 319 A C -1.716 175.937 177.584 0.115 0.000 1.062 319 A CA -0.135 51.977 52.037 0.126 0.000 0.666 319 A CB 1.298 20.347 19.000 0.082 0.000 1.281 319 A HN 1.007 nan 8.150 nan 0.000 0.421 320 A N -0.469 122.423 122.820 0.120 0.000 2.799 320 A HA 0.701 4.915 4.320 -0.177 0.000 0.308 320 A C -1.052 176.564 177.584 0.053 0.000 1.108 320 A CA 0.307 52.382 52.037 0.063 0.000 0.600 320 A CB -0.297 18.705 19.000 0.003 0.000 1.452 320 A HN 1.871 nan 8.150 nan 0.000 0.617 321 Q N -0.834 118.970 119.800 0.006 0.000 2.439 321 Q HA -0.151 4.083 4.340 -0.177 0.000 0.361 321 Q C -0.249 175.770 176.000 0.031 0.000 1.408 321 Q CA 0.690 56.494 55.803 0.002 0.000 1.052 321 Q CB -1.532 27.185 28.738 -0.036 0.000 1.233 321 Q HN 1.171 nan 8.270 nan 0.000 0.347 322 V N 1.094 121.028 119.914 0.034 0.000 2.775 322 V HA 0.120 4.134 4.120 -0.177 0.000 0.299 322 V C 0.357 176.466 176.094 0.024 0.000 1.062 322 V CA 0.252 62.569 62.300 0.029 0.000 1.063 322 V CB 1.485 33.330 31.823 0.036 0.000 0.994 322 V HN 0.476 nan 8.190 nan 0.000 0.483 323 E N 5.390 125.596 120.200 0.011 0.000 2.675 323 E HA 0.542 4.786 4.350 -0.177 0.000 0.236 323 E C -0.623 175.993 176.600 0.028 0.000 1.059 323 E CA -0.388 56.028 56.400 0.027 0.000 0.775 323 E CB 1.536 31.259 29.700 0.038 0.000 1.356 323 E HN 0.831 nan 8.360 nan 0.000 0.403 324 A N 3.384 126.227 122.820 0.039 0.000 2.328 324 A HA 0.354 4.568 4.320 -0.177 0.000 0.284 324 A C -0.061 177.567 177.584 0.074 0.000 1.160 324 A CA -0.562 51.503 52.037 0.047 0.000 0.818 324 A CB 0.221 19.245 19.000 0.040 0.000 1.087 324 A HN 0.630 nan 8.150 nan 0.000 0.504 325 E N 2.170 122.430 120.200 0.101 0.000 2.186 325 E HA 0.427 4.671 4.350 -0.177 0.000 0.255 325 E C -0.839 175.807 176.600 0.077 0.000 0.881 325 E CA -0.656 55.806 56.400 0.103 0.000 0.752 325 E CB 1.229 31.020 29.700 0.152 0.000 1.176 325 E HN 0.500 nan 8.360 nan 0.000 0.421 326 E N 3.759 123.992 120.200 0.054 0.000 2.166 326 E HA 0.033 4.277 4.350 -0.177 0.000 0.279 326 E C -0.820 175.800 176.600 0.033 0.000 1.095 326 E CA -0.020 56.402 56.400 0.037 0.000 0.888 326 E CB 0.351 30.070 29.700 0.032 0.000 1.041 326 E HN 0.660 nan 8.360 nan 0.000 0.414 327 E N 3.847 124.062 120.200 0.025 0.000 2.952 327 E HA 0.387 4.631 4.350 -0.177 0.000 0.347 327 E C 0.249 176.857 176.600 0.012 0.000 1.103 327 E CA -0.144 56.271 56.400 0.025 0.000 0.910 327 E CB -0.053 29.669 29.700 0.037 0.000 1.428 327 E HN 0.636 nan 8.360 nan 0.000 0.389 328 G N 2.145 110.940 108.800 -0.009 0.000 1.829 328 G HA2 -0.250 3.604 3.960 -0.177 0.000 0.214 328 G HA3 -0.250 3.604 3.960 -0.177 0.000 0.214 328 G C 0.443 175.287 174.900 -0.093 0.000 1.627 328 G CA 0.272 45.349 45.100 -0.037 0.000 1.390 328 G HN 0.279 nan 8.290 nan 0.000 0.458 329 E N -0.469 119.612 120.200 -0.197 0.000 2.564 329 E HA 0.254 4.498 4.350 -0.177 0.000 0.203 329 E C 0.381 176.864 176.600 -0.194 0.000 0.867 329 E CA 0.838 57.099 56.400 -0.231 0.000 1.250 329 E CB 1.208 30.662 29.700 -0.410 0.000 1.215 329 E HN 0.650 nan 8.360 nan 0.000 0.566 330 T N -0.139 114.278 114.554 -0.228 0.000 2.809 330 T HA 0.451 4.695 4.350 -0.177 0.000 0.284 330 T C -0.049 174.616 174.700 -0.058 0.000 0.992 330 T CA -0.754 61.254 62.100 -0.153 0.000 0.957 330 T CB 1.741 70.505 68.868 -0.173 0.000 0.942 330 T HN -0.164 nan 8.240 nan 0.000 0.439 331 V N 5.037 124.918 119.914 -0.055 0.000 2.434 331 V HA 0.033 4.047 4.120 -0.177 0.000 0.281 331 V C 0.099 176.225 176.094 0.053 0.000 1.005 331 V CA -0.348 61.958 62.300 0.009 0.000 1.089 331 V CB -1.191 30.623 31.823 -0.014 0.000 0.978 331 V HN 0.874 nan 8.190 nan 0.000 0.474 332 Y N 7.165 127.473 120.300 0.013 0.000 2.587 332 Y HA 0.391 4.835 4.550 -0.177 0.000 0.344 332 Y C 0.023 175.949 175.900 0.043 0.000 1.061 332 Y CA -0.179 57.949 58.100 0.047 0.000 1.370 332 Y CB 0.155 38.659 38.460 0.073 0.000 1.163 332 Y HN 0.506 nan 8.280 nan 0.000 0.527 333 L N 5.658 126.636 121.223 -0.408 0.000 2.358 333 L HA 0.708 4.942 4.340 -0.177 0.000 0.268 333 L C -0.234 176.332 176.870 -0.505 0.000 1.032 333 L CA -0.945 53.698 54.840 -0.328 0.000 0.805 333 L CB 1.973 43.940 42.059 -0.153 0.000 1.253 333 L HN 0.625 nan 8.230 nan 0.000 0.452 334 T N 0.067 114.474 114.554 -0.244 0.000 3.032 334 T HA 0.775 5.019 4.350 -0.177 0.000 0.312 334 T C -0.734 173.949 174.700 -0.027 0.000 1.078 334 T CA -0.654 61.355 62.100 -0.152 0.000 1.028 334 T CB 2.024 70.837 68.868 -0.092 0.000 1.091 334 T HN 0.279 nan 8.240 nan 0.000 0.457 335 L N 0.448 121.682 121.223 0.019 0.000 2.786 335 L HA 0.708 4.942 4.340 -0.177 0.000 0.259 335 L C -1.477 175.491 176.870 0.164 0.000 1.099 335 L CA -0.958 53.935 54.840 0.088 0.000 0.995 335 L CB 0.803 42.904 42.059 0.071 0.000 1.580 335 L HN 0.678 nan 8.230 nan 0.000 0.373 336 F N 2.208 122.141 119.950 -0.027 0.000 2.410 336 F HA 0.595 5.016 4.527 -0.177 0.000 0.349 336 F C -0.491 175.275 175.800 -0.057 0.000 1.117 336 F CA -0.548 57.432 58.000 -0.033 0.000 1.104 336 F CB 0.789 39.781 39.000 -0.014 0.000 1.122 336 F HN 0.051 nan 8.300 nan 0.000 0.483 337 L N 5.631 126.694 121.223 -0.266 0.000 2.335 337 L HA 0.437 4.671 4.340 -0.177 0.000 0.268 337 L C -1.031 175.707 176.870 -0.220 0.000 1.037 337 L CA -0.638 54.047 54.840 -0.258 0.000 0.895 337 L CB 0.580 42.415 42.059 -0.372 0.000 1.266 337 L HN 0.499 nan 8.230 nan 0.000 0.439 338 E N 4.229 124.388 120.200 -0.068 0.000 2.114 338 E HA 0.483 4.727 4.350 -0.177 0.000 0.266 338 E C -1.038 175.663 176.600 0.169 0.000 0.896 338 E CA -0.513 55.903 56.400 0.026 0.000 0.750 338 E CB 1.530 31.277 29.700 0.078 0.000 1.121 338 E HN 0.452 nan 8.360 nan 0.000 0.413 339 W N 1.829 123.061 121.300 -0.113 0.000 3.118 339 W HA 0.597 5.151 4.660 -0.177 0.000 0.328 339 W C -1.086 175.402 176.519 -0.051 0.000 1.239 339 W CA -1.087 56.210 57.345 -0.080 0.000 1.176 339 W CB 0.366 29.761 29.460 -0.108 0.000 1.433 339 W HN 0.446 nan 8.180 nan 0.000 0.562 340 T N -0.844 113.503 114.554 -0.346 0.000 2.936 340 T HA 0.628 4.872 4.350 -0.177 0.000 0.282 340 T C -0.892 173.293 174.700 -0.859 0.000 1.003 340 T CA -0.493 61.291 62.100 -0.527 0.000 1.005 340 T CB 2.544 71.276 68.868 -0.226 0.000 1.097 340 T HN 0.624 nan 8.240 nan 0.000 0.532 341 E N 1.630 121.446 120.200 -0.639 0.000 2.551 341 E HA 0.271 4.515 4.350 -0.177 0.000 0.321 341 E C -2.911 173.578 176.600 -0.185 0.000 0.975 341 E CA -1.942 54.138 56.400 -0.532 0.000 0.784 341 E CB 1.690 30.873 29.700 -0.862 0.000 1.493 341 E HN 0.532 nan 8.360 nan 0.000 0.385 342 P HA 0.056 nan 4.420 nan 0.000 0.269 342 P C -0.721 176.584 177.300 0.008 0.000 1.211 342 P CA 0.119 63.201 63.100 -0.029 0.000 0.781 342 P CB 1.153 32.844 31.700 -0.015 0.000 0.877 343 K N -0.085 120.326 120.400 0.019 0.000 2.544 343 K HA 0.492 4.706 4.320 -0.177 0.000 0.282 343 K C -1.334 175.229 176.600 -0.060 0.000 1.020 343 K CA -0.662 55.624 56.287 -0.002 0.000 0.830 343 K CB 1.450 34.012 32.500 0.104 0.000 1.521 343 K HN 0.470 nan 8.250 nan 0.000 0.376 344 D N -0.347 119.905 120.400 -0.247 0.000 2.683 344 D HA 0.390 4.924 4.640 -0.177 0.000 0.246 344 D C -1.803 174.081 176.300 -0.693 0.000 1.238 344 D CA -0.191 53.653 54.000 -0.260 0.000 0.759 344 D CB 1.550 42.265 40.800 -0.141 0.000 1.349 344 D HN 0.425 nan 8.370 nan 0.000 0.426 345 Y N 0.034 120.366 120.300 0.054 0.000 2.558 345 Y HA 0.377 4.821 4.550 -0.177 0.000 0.333 345 Y C 0.079 175.996 175.900 0.027 0.000 1.125 345 Y CA -1.005 57.117 58.100 0.037 0.000 1.039 345 Y CB 1.803 40.282 38.460 0.031 0.000 1.331 345 Y HN 0.009 nan 8.280 nan 0.000 0.456 346 R N 1.330 121.956 120.500 0.210 0.000 2.357 346 R HA 0.583 4.817 4.340 -0.177 0.000 0.296 346 R C -1.271 175.072 176.300 0.072 0.000 1.052 346 R CA -0.809 55.359 56.100 0.113 0.000 0.988 346 R CB 1.247 31.600 30.300 0.088 0.000 1.025 346 R HN 0.293 nan 8.270 nan 0.000 0.469 347 V N 4.638 124.577 119.914 0.042 0.000 2.318 347 V HA 0.104 4.118 4.120 -0.177 0.000 0.271 347 V C 0.138 176.216 176.094 -0.027 0.000 1.030 347 V CA -0.677 61.622 62.300 -0.001 0.000 0.844 347 V CB 1.114 32.945 31.823 0.014 0.000 1.015 347 V HN 0.618 nan 8.190 nan 0.000 0.460 348 Q N 5.588 125.314 119.800 -0.123 0.000 2.382 348 Q HA 0.257 4.492 4.340 -0.177 0.000 0.229 348 Q C -1.452 174.466 176.000 -0.137 0.000 1.006 348 Q CA -2.055 53.652 55.803 -0.159 0.000 0.916 348 Q CB 0.580 29.114 28.738 -0.340 0.000 1.235 348 Q HN 0.304 nan 8.270 nan 0.000 0.512 349 P HA -0.188 nan 4.420 nan 0.000 0.217 349 P C 0.584 177.990 177.300 0.176 0.000 1.148 349 P CA 1.604 64.789 63.100 0.142 0.000 0.834 349 P CB 0.086 31.899 31.700 0.188 0.000 0.783 350 H N -3.930 115.175 119.070 0.058 0.000 2.539 350 H HA 0.324 4.774 4.556 -0.177 0.000 0.269 350 H C 0.630 175.986 175.328 0.047 0.000 0.980 350 H CA -0.055 56.023 56.048 0.051 0.000 1.152 350 H CB -0.730 29.053 29.762 0.036 0.000 1.407 350 H HN 0.140 nan 8.280 nan 0.000 0.564 351 M N 1.705 121.223 119.600 -0.137 0.000 2.283 351 M HA 0.261 4.635 4.480 -0.177 0.000 0.314 351 M C -0.152 176.139 176.300 -0.015 0.000 1.153 351 M CA 0.032 55.279 55.300 -0.087 0.000 1.084 351 M CB 1.004 33.527 32.600 -0.129 0.000 1.468 351 M HN 0.048 nan 8.290 nan 0.000 0.474 352 N N 0.438 119.127 118.700 -0.018 0.000 2.503 352 N HA 0.327 4.961 4.740 -0.177 0.000 0.287 352 N C -1.602 173.886 175.510 -0.038 0.000 1.096 352 N CA -0.484 52.555 53.050 -0.018 0.000 0.936 352 N CB 1.901 40.387 38.487 -0.002 0.000 1.570 352 N HN 0.559 nan 8.380 nan 0.000 0.504 353 V N 0.453 120.331 119.914 -0.058 0.000 2.521 353 V HA 0.186 4.200 4.120 -0.177 0.000 0.286 353 V C 1.009 177.053 176.094 -0.083 0.000 1.034 353 V CA -0.117 62.136 62.300 -0.079 0.000 1.045 353 V CB 0.844 32.599 31.823 -0.113 0.000 0.974 353 V HN 0.395 nan 8.190 nan 0.000 0.480 354 V N 4.473 124.343 119.914 -0.072 0.000 2.992 354 V HA 0.044 4.058 4.120 -0.177 0.000 0.250 354 V C 1.021 177.062 176.094 -0.089 0.000 1.090 354 V CA 0.718 62.978 62.300 -0.066 0.000 1.101 354 V CB 0.534 32.329 31.823 -0.047 0.000 0.743 354 V HN 0.764 nan 8.190 nan 0.000 0.468 355 V N 3.004 122.855 119.914 -0.105 0.000 2.686 355 V HA 0.262 4.276 4.120 -0.177 0.000 0.295 355 V C -1.232 174.756 176.094 -0.177 0.000 1.057 355 V CA -1.106 61.118 62.300 -0.128 0.000 1.012 355 V CB 1.241 32.989 31.823 -0.126 0.000 1.006 355 V HN 0.311 nan 8.190 nan 0.000 0.477 356 P HA 0.263 nan 4.420 nan 0.000 0.346 356 P C -0.546 176.621 177.300 -0.223 0.000 1.325 356 P CA -0.687 62.276 63.100 -0.228 0.000 0.803 356 P CB 0.686 32.282 31.700 -0.172 0.000 1.856 357 E N -0.053 120.034 120.200 -0.188 0.000 2.238 357 E HA 0.238 4.482 4.350 -0.177 0.000 0.264 357 E C 0.645 177.152 176.600 -0.155 0.000 1.136 357 E CA 0.135 56.448 56.400 -0.145 0.000 0.929 357 E CB -0.983 28.672 29.700 -0.076 0.000 1.010 357 E HN 0.701 nan 8.360 nan 0.000 0.440 358 G N 3.325 111.995 108.800 -0.217 0.000 2.424 358 G HA2 -0.263 3.591 3.960 -0.177 0.000 0.294 358 G HA3 -0.263 3.591 3.960 -0.177 0.000 0.294 358 G C 0.312 175.062 174.900 -0.250 0.000 0.939 358 G CA 0.350 45.249 45.100 -0.336 0.000 1.143 358 G HN 0.664 nan 8.290 nan 0.000 0.507 359 A N 0.022 122.715 122.820 -0.211 0.000 2.340 359 A HA 0.753 4.968 4.320 -0.177 0.000 0.268 359 A C 0.947 178.431 177.584 -0.166 0.000 1.100 359 A CA -0.456 51.483 52.037 -0.163 0.000 0.803 359 A CB 0.525 19.441 19.000 -0.139 0.000 1.043 359 A HN 0.659 nan 8.150 nan 0.000 0.488 360 R N 0.064 120.485 120.500 -0.132 0.000 2.694 360 R HA 0.412 4.646 4.340 -0.177 0.000 0.268 360 R C -0.776 175.460 176.300 -0.107 0.000 1.061 360 R CA -0.060 55.967 56.100 -0.121 0.000 1.133 360 R CB 0.493 30.740 30.300 -0.089 0.000 1.020 360 R HN 0.397 nan 8.270 nan 0.000 0.475 361 V N 1.823 121.675 119.914 -0.103 0.000 2.876 361 V HA 0.273 4.287 4.120 -0.177 0.000 0.312 361 V C -0.495 175.579 176.094 -0.034 0.000 1.085 361 V CA -0.702 61.556 62.300 -0.071 0.000 0.945 361 V CB 2.180 33.955 31.823 -0.081 0.000 1.017 361 V HN 0.706 nan 8.190 nan 0.000 0.428 362 E N 1.332 121.524 120.200 -0.014 0.000 2.396 362 E HA 0.661 4.905 4.350 -0.177 0.000 0.251 362 E C 0.973 177.585 176.600 0.021 0.000 0.949 362 E CA -0.035 56.367 56.400 0.003 0.000 0.834 362 E CB 1.612 31.308 29.700 -0.007 0.000 1.309 362 E HN 0.637 nan 8.360 nan 0.000 0.405 363 A N 0.558 123.389 122.820 0.017 0.000 1.852 363 A HA -0.141 4.073 4.320 -0.177 0.000 0.217 363 A C 1.457 179.046 177.584 0.008 0.000 1.215 363 A CA 2.297 54.343 52.037 0.015 0.000 0.641 363 A CB -1.117 17.886 19.000 0.005 0.000 0.838 363 A HN 0.494 nan 8.150 nan 0.000 0.450 364 G N -0.573 108.228 108.800 0.001 0.000 3.882 364 G HA2 0.402 4.256 3.960 -0.177 0.000 0.283 364 G HA3 0.402 4.256 3.960 -0.177 0.000 0.283 364 G C -0.715 174.182 174.900 -0.006 0.000 1.283 364 G CA 0.295 45.393 45.100 -0.003 0.000 1.402 364 G HN 0.310 nan 8.290 nan 0.000 0.618 365 D N 0.747 121.144 120.400 -0.005 0.000 2.464 365 D HA 0.178 4.713 4.640 -0.177 0.000 0.243 365 D C 0.127 176.419 176.300 -0.014 0.000 1.104 365 D CA -0.567 53.426 54.000 -0.012 0.000 0.883 365 D CB 0.776 41.565 40.800 -0.018 0.000 1.050 365 D HN 0.096 nan 8.370 nan 0.000 0.524 366 K N 3.687 124.077 120.400 -0.016 0.000 2.472 366 K HA 0.072 4.286 4.320 -0.177 0.000 0.280 366 K C 0.967 177.552 176.600 -0.026 0.000 1.028 366 K CA 0.071 56.347 56.287 -0.019 0.000 1.045 366 K CB 0.576 33.066 32.500 -0.018 0.000 0.902 366 K HN 0.452 nan 8.250 nan 0.000 0.478 367 I N 3.256 123.809 120.570 -0.028 0.000 2.405 367 I HA -0.038 4.026 4.170 -0.177 0.000 0.236 367 I C 0.261 176.353 176.117 -0.043 0.000 1.071 367 I CA 0.249 61.525 61.300 -0.039 0.000 1.398 367 I CB 0.149 38.129 38.000 -0.034 0.000 1.162 367 I HN 0.274 nan 8.210 nan 0.000 0.432 368 V N 0.049 119.941 119.914 -0.037 0.000 3.001 368 V HA 0.839 4.853 4.120 -0.177 0.000 0.314 368 V C -0.360 175.715 176.094 -0.032 0.000 1.099 368 V CA -0.645 61.633 62.300 -0.037 0.000 0.989 368 V CB 1.779 33.580 31.823 -0.037 0.000 1.040 368 V HN 0.368 nan 8.190 nan 0.000 0.434 369 A N 1.505 124.310 122.820 -0.026 0.000 2.524 369 A HA 1.103 5.317 4.320 -0.177 0.000 0.289 369 A C -0.529 177.050 177.584 -0.009 0.000 1.248 369 A CA -0.012 52.015 52.037 -0.016 0.000 0.712 369 A CB 1.823 20.819 19.000 -0.007 0.000 1.312 369 A HN 1.944 nan 8.150 nan 0.000 0.441 370 A N -1.294 121.534 122.820 0.014 0.000 2.806 370 A HA 0.611 4.825 4.320 -0.177 0.000 0.310 370 A C 0.805 178.440 177.584 0.085 0.000 1.169 370 A CA 0.074 52.142 52.037 0.052 0.000 0.621 370 A CB -0.839 18.175 19.000 0.023 0.000 1.412 370 A HN 1.659 nan 8.150 nan 0.000 0.576 371 I N -1.151 119.509 120.570 0.150 0.000 2.142 371 I HA -0.042 4.022 4.170 -0.177 0.000 0.240 371 I C 0.559 176.720 176.117 0.073 0.000 1.078 371 I CA 1.490 62.850 61.300 0.100 0.000 1.343 371 I CB -0.817 37.233 38.000 0.084 0.000 1.046 371 I HN 0.586 nan 8.210 nan 0.000 0.405 372 D N 3.624 124.080 120.400 0.094 0.000 2.367 372 D HA 0.043 4.577 4.640 -0.177 0.000 0.255 372 D C -1.581 174.740 176.300 0.036 0.000 1.300 372 D CA -1.560 52.474 54.000 0.058 0.000 0.959 372 D CB 0.622 41.464 40.800 0.070 0.000 1.064 372 D HN 0.315 nan 8.370 nan 0.000 0.509 373 P HA -0.207 nan 4.420 nan 0.000 0.220 373 P C 0.532 177.834 177.300 0.004 0.000 1.144 373 P CA 1.010 64.117 63.100 0.011 0.000 0.800 373 P CB 0.290 31.995 31.700 0.009 0.000 0.772 374 E N 1.752 121.956 120.200 0.007 0.000 2.324 374 E HA 0.003 4.247 4.350 -0.177 0.000 0.271 374 E C 0.040 176.636 176.600 -0.006 0.000 1.028 374 E CA -0.237 56.163 56.400 0.001 0.000 0.890 374 E CB -0.552 29.152 29.700 0.006 0.000 1.004 374 E HN 0.115 nan 8.360 nan 0.000 0.431 375 E N 2.841 123.028 120.200 -0.022 0.000 2.369 375 E HA -0.277 3.967 4.350 -0.177 0.000 0.165 375 E C -1.141 175.428 176.600 -0.052 0.000 1.622 375 E CA 0.728 57.102 56.400 -0.043 0.000 0.660 375 E CB -0.645 29.031 29.700 -0.040 0.000 1.085 375 E HN 0.674 nan 8.360 nan 0.000 0.346 376 E N 0.425 120.593 120.200 -0.053 0.000 2.299 376 E HA 0.351 4.595 4.350 -0.177 0.000 0.265 376 E C -0.239 176.317 176.600 -0.072 0.000 0.911 376 E CA -0.929 55.438 56.400 -0.054 0.000 0.789 376 E CB 1.793 31.475 29.700 -0.029 0.000 1.246 376 E HN 0.131 nan 8.360 nan 0.000 0.427 377 V N 2.829 122.700 119.914 -0.072 0.000 2.707 377 V HA -0.132 3.882 4.120 -0.177 0.000 0.291 377 V C 0.088 176.154 176.094 -0.046 0.000 1.002 377 V CA 1.277 63.538 62.300 -0.066 0.000 1.200 377 V CB -1.189 30.610 31.823 -0.040 0.000 0.854 377 V HN 0.459 nan 8.190 nan 0.000 0.462 378 I N 4.732 125.273 120.570 -0.048 0.000 2.418 378 I HA 0.579 4.643 4.170 -0.177 0.000 0.287 378 I C 0.738 176.861 176.117 0.010 0.000 1.008 378 I CA -0.451 60.834 61.300 -0.026 0.000 1.104 378 I CB 1.636 39.612 38.000 -0.040 0.000 1.264 378 I HN 0.686 nan 8.210 nan 0.000 0.438 379 A N 6.015 128.850 122.820 0.024 0.000 2.433 379 A HA 0.425 4.639 4.320 -0.177 0.000 0.250 379 A C 0.099 177.737 177.584 0.091 0.000 1.113 379 A CA 0.455 52.534 52.037 0.069 0.000 0.794 379 A CB 0.492 19.511 19.000 0.032 0.000 1.067 379 A HN 0.844 nan 8.150 nan 0.000 0.510 380 E N -1.974 118.331 120.200 0.176 0.000 2.269 380 E HA 0.502 4.746 4.350 -0.177 0.000 0.243 380 E C -0.730 175.971 176.600 0.168 0.000 1.114 380 E CA -0.599 55.879 56.400 0.130 0.000 0.896 380 E CB 1.048 30.747 29.700 -0.001 0.000 1.811 380 E HN 0.906 nan 8.360 nan 0.000 0.472 381 A N 1.646 124.537 122.820 0.119 0.000 2.512 381 A HA 0.038 4.252 4.320 -0.177 0.000 0.278 381 A C -0.209 177.482 177.584 0.179 0.000 1.128 381 A CA 0.783 52.885 52.037 0.107 0.000 0.818 381 A CB -1.079 17.947 19.000 0.043 0.000 1.044 381 A HN 0.527 nan 8.150 nan 0.000 0.526 382 E N 0.831 121.076 120.200 0.075 0.000 2.452 382 E HA -0.187 4.057 4.350 -0.177 0.000 0.155 382 E C 0.569 177.124 176.600 -0.074 0.000 1.746 382 E CA 0.607 57.009 56.400 0.003 0.000 0.636 382 E CB -1.298 28.392 29.700 -0.016 0.000 1.069 382 E HN 0.944 nan 8.360 nan 0.000 0.335 383 G N 0.689 109.399 108.800 -0.151 0.000 2.389 383 G HA2 0.558 4.412 3.960 -0.177 0.000 0.328 383 G HA3 0.558 4.412 3.960 -0.177 0.000 0.328 383 G C -0.296 174.401 174.900 -0.337 0.000 1.133 383 G CA -0.483 44.337 45.100 -0.466 0.000 0.891 383 G HN 0.166 nan 8.290 nan 0.000 0.485 384 V N 0.949 120.628 119.914 -0.393 0.000 2.815 384 V HA 0.470 4.484 4.120 -0.177 0.000 0.314 384 V C -0.098 175.746 176.094 -0.417 0.000 1.064 384 V CA -0.667 61.428 62.300 -0.342 0.000 0.952 384 V CB 2.189 33.835 31.823 -0.295 0.000 1.020 384 V HN 0.542 nan 8.190 nan 0.000 0.439 385 V N 3.879 123.502 119.914 -0.486 0.000 2.481 385 V HA 0.571 4.585 4.120 -0.177 0.000 0.286 385 V C -0.654 174.975 176.094 -0.775 0.000 1.042 385 V CA -0.368 61.643 62.300 -0.480 0.000 0.928 385 V CB 1.175 32.808 31.823 -0.315 0.000 0.986 385 V HN 0.873 nan 8.190 nan 0.000 0.462 386 H N 4.561 123.518 119.070 -0.188 0.000 3.179 386 H HA 0.407 4.857 4.556 -0.177 0.000 0.331 386 H C -1.445 173.616 175.328 -0.444 0.000 1.013 386 H CA -0.778 55.103 56.048 -0.279 0.000 1.430 386 H CB 1.588 31.236 29.762 -0.190 0.000 1.895 386 H HN 0.400 nan 8.280 nan 0.000 0.468 387 L N 3.313 124.321 121.223 -0.359 0.000 2.307 387 L HA 0.398 4.632 4.340 -0.177 0.000 0.284 387 L C 1.099 177.692 176.870 -0.462 0.000 1.023 387 L CA -0.338 54.303 54.840 -0.332 0.000 0.810 387 L CB 0.975 42.930 42.059 -0.174 0.000 1.231 387 L HN 0.605 nan 8.230 nan 0.000 0.423 388 H N -0.048 119.039 119.070 0.029 0.000 3.400 388 H HA 0.300 4.750 4.556 -0.177 0.000 0.251 388 H C -0.376 174.972 175.328 0.032 0.000 1.040 388 H CA 0.073 56.135 56.048 0.025 0.000 1.175 388 H CB 1.276 31.045 29.762 0.011 0.000 1.487 388 H HN 0.589 nan 8.280 nan 0.000 0.505 389 E N 2.282 122.563 120.200 0.135 0.000 2.489 389 E HA 0.278 4.522 4.350 -0.177 0.000 0.232 389 E C -2.721 173.942 176.600 0.106 0.000 0.990 389 E CA -1.734 54.732 56.400 0.110 0.000 0.768 389 E CB 2.294 32.051 29.700 0.095 0.000 1.270 389 E HN 0.194 nan 8.360 nan 0.000 0.423 390 P HA 0.166 nan 4.420 nan 0.000 0.282 390 P C 0.057 177.454 177.300 0.161 0.000 1.259 390 P CA -0.080 63.114 63.100 0.157 0.000 0.826 390 P CB 1.291 33.085 31.700 0.156 0.000 1.064 391 A N 0.710 123.664 122.820 0.222 0.000 2.044 391 A HA 0.293 4.507 4.320 -0.177 0.000 0.213 391 A C 0.644 178.307 177.584 0.132 0.000 1.169 391 A CA 1.286 53.400 52.037 0.128 0.000 0.724 391 A CB -0.483 18.536 19.000 0.031 0.000 0.840 391 A HN 0.619 nan 8.150 nan 0.000 0.463 392 S N -2.228 113.624 115.700 0.254 0.000 2.703 392 S HA 0.736 5.100 4.470 -0.177 0.000 0.273 392 S C -1.174 173.592 174.600 0.278 0.000 1.178 392 S CA -0.704 57.643 58.200 0.245 0.000 0.838 392 S CB 0.681 64.009 63.200 0.214 0.000 1.178 392 S HN 0.315 nan 8.310 nan 0.000 0.494 393 I N 0.549 121.287 120.570 0.280 0.000 2.827 393 I HA 0.549 4.613 4.170 -0.177 0.000 0.298 393 I C -1.788 174.517 176.117 0.314 0.000 1.235 393 I CA -0.828 60.615 61.300 0.239 0.000 1.021 393 I CB 2.123 40.213 38.000 0.150 0.000 1.259 393 I HN 0.644 nan 8.210 nan 0.000 0.427 394 L N 5.944 127.279 121.223 0.188 0.000 2.342 394 L HA 0.796 5.030 4.340 -0.177 0.000 0.271 394 L C -1.145 175.804 176.870 0.133 0.000 1.008 394 L CA -0.521 54.429 54.840 0.184 0.000 0.818 394 L CB 1.989 44.097 42.059 0.082 0.000 1.296 394 L HN 0.331 nan 8.230 nan 0.000 0.427 395 V N 4.528 124.557 119.914 0.191 0.000 2.709 395 V HA 0.817 4.831 4.120 -0.177 0.000 0.308 395 V C -0.972 175.179 176.094 0.095 0.000 1.062 395 V CA -0.634 61.734 62.300 0.113 0.000 0.901 395 V CB 1.984 33.892 31.823 0.142 0.000 1.003 395 V HN 0.669 nan 8.190 nan 0.000 0.425 396 V N 3.918 123.860 119.914 0.047 0.000 3.077 396 V HA 0.618 4.632 4.120 -0.177 0.000 0.299 396 V C -0.987 175.125 176.094 0.031 0.000 1.276 396 V CA -0.954 61.375 62.300 0.048 0.000 0.993 396 V CB 2.382 34.233 31.823 0.047 0.000 1.076 396 V HN 0.866 nan 8.190 nan 0.000 0.434 397 K N 4.689 125.113 120.400 0.040 0.000 2.167 397 K HA 0.780 4.994 4.320 -0.177 0.000 0.275 397 K C -0.435 176.185 176.600 0.033 0.000 1.103 397 K CA 0.961 57.268 56.287 0.032 0.000 0.963 397 K CB -0.206 32.316 32.500 0.038 0.000 1.243 397 K HN 1.294 nan 8.250 nan 0.000 0.407 398 A N 3.935 126.766 122.820 0.019 0.000 2.604 398 A HA 0.624 4.838 4.320 -0.177 0.000 0.295 398 A C -1.252 176.328 177.584 -0.007 0.000 1.067 398 A CA -1.013 51.039 52.037 0.024 0.000 0.683 398 A CB 1.144 20.160 19.000 0.027 0.000 1.281 398 A HN 0.425 nan 8.150 nan 0.000 0.407 399 R N 1.234 121.733 120.500 -0.000 0.000 2.196 399 R HA 0.307 4.541 4.340 -0.177 0.000 0.340 399 R C -0.221 175.961 176.300 -0.198 0.000 1.043 399 R CA -0.475 55.542 56.100 -0.138 0.000 0.883 399 R CB 1.061 31.257 30.300 -0.172 0.000 1.078 399 R HN 0.716 nan 8.270 nan 0.000 0.462 400 V N 5.715 125.502 119.914 -0.212 0.000 2.450 400 V HA 0.029 4.043 4.120 -0.177 0.000 0.281 400 V C -0.873 175.080 176.094 -0.235 0.000 1.019 400 V CA 0.259 62.479 62.300 -0.135 0.000 1.062 400 V CB -0.175 31.590 31.823 -0.095 0.000 0.979 400 V HN 0.594 nan 8.190 nan 0.000 0.477 401 Y N 7.151 127.475 120.300 0.040 0.000 2.805 401 Y HA 0.458 4.902 4.550 -0.177 0.000 0.339 401 Y C -2.158 173.794 175.900 0.088 0.000 1.012 401 Y CA -2.373 55.761 58.100 0.057 0.000 1.262 401 Y CB 1.459 39.953 38.460 0.058 0.000 1.100 401 Y HN 0.607 nan 8.280 nan 0.000 0.559 402 P HA 0.051 nan 4.420 nan 0.000 0.271 402 P C -0.700 176.692 177.300 0.153 0.000 1.216 402 P CA 0.138 63.289 63.100 0.085 0.000 0.771 402 P CB 0.435 32.142 31.700 0.012 0.000 0.864 403 F N 1.326 121.308 119.950 0.053 0.000 2.654 403 F HA 0.676 5.098 4.527 -0.177 0.000 0.334 403 F C 0.537 176.350 175.800 0.022 0.000 1.078 403 F CA -0.810 57.212 58.000 0.037 0.000 0.986 403 F CB 1.430 40.447 39.000 0.028 0.000 1.362 403 F HN 0.371 nan 8.300 nan 0.000 0.498 404 E N -0.485 119.924 120.200 0.348 0.000 3.935 404 E HA 0.066 4.310 4.350 -0.177 0.000 0.244 404 E C 0.334 177.103 176.600 0.281 0.000 1.295 404 E CA 0.006 56.493 56.400 0.146 0.000 1.728 404 E CB -0.133 29.596 29.700 0.049 0.000 1.750 404 E HN 0.480 nan 8.360 nan 0.000 0.721 405 D N 2.099 122.619 120.400 0.200 0.000 2.087 405 D HA -0.030 4.504 4.640 -0.177 0.000 0.218 405 D C 0.399 176.768 176.300 0.115 0.000 0.982 405 D CA 1.122 55.200 54.000 0.129 0.000 0.900 405 D CB -0.323 40.521 40.800 0.073 0.000 1.072 405 D HN 0.061 nan 8.370 nan 0.000 0.459 406 D N 0.227 120.659 120.400 0.054 0.000 2.411 406 D HA 0.190 4.724 4.640 -0.177 0.000 0.251 406 D C -0.025 176.194 176.300 -0.136 0.000 1.201 406 D CA -0.379 53.609 54.000 -0.020 0.000 0.996 406 D CB 1.874 42.652 40.800 -0.037 0.000 1.101 406 D HN -0.173 nan 8.370 nan 0.000 0.504 407 V N 0.100 119.907 119.914 -0.178 0.000 3.109 407 V HA 0.187 4.201 4.120 -0.177 0.000 0.317 407 V C 0.424 176.324 176.094 -0.323 0.000 1.074 407 V CA 0.047 62.157 62.300 -0.317 0.000 1.033 407 V CB 1.946 33.655 31.823 -0.191 0.000 1.111 407 V HN 0.539 nan 8.190 nan 0.000 0.458 408 E N 0.336 120.312 120.200 -0.373 0.000 3.666 408 E HA 0.525 4.769 4.350 -0.177 0.000 0.299 408 E C -0.296 176.203 176.600 -0.168 0.000 0.666 408 E CA 0.204 56.441 56.400 -0.271 0.000 1.878 408 E CB 1.510 31.017 29.700 -0.321 0.000 2.004 408 E HN 0.646 nan 8.360 nan 0.000 0.422 409 V N -1.662 118.171 119.914 -0.136 0.000 4.876 409 V HA 0.499 4.513 4.120 -0.177 0.000 0.280 409 V C -0.058 175.997 176.094 -0.066 0.000 1.427 409 V CA 0.014 62.260 62.300 -0.090 0.000 0.805 409 V CB 1.020 32.795 31.823 -0.080 0.000 1.337 409 V HN 0.599 nan 8.190 nan 0.000 0.439 410 S N -1.079 114.593 115.700 -0.046 0.000 2.422 410 S HA 0.290 4.654 4.470 -0.177 0.000 0.226 410 S C 0.347 174.937 174.600 -0.018 0.000 1.242 410 S CA 0.455 58.637 58.200 -0.029 0.000 1.231 410 S CB -0.410 62.776 63.200 -0.024 0.000 1.067 410 S HN 1.895 nan 8.310 nan 0.000 0.462 411 T N 0.775 115.321 114.554 -0.013 0.000 3.433 411 T HA -0.146 4.098 4.350 -0.177 0.000 0.412 411 T C 1.040 175.728 174.700 -0.021 0.000 0.768 411 T CA 1.626 63.723 62.100 -0.006 0.000 2.077 411 T CB -1.599 67.275 68.868 0.010 0.000 1.700 411 T HN 1.747 nan 8.240 nan 0.000 0.666 412 G N 1.221 110.002 108.800 -0.032 0.000 4.248 412 G HA2 0.102 3.956 3.960 -0.177 0.000 0.218 412 G HA3 0.102 3.956 3.960 -0.177 0.000 0.218 412 G C -0.404 174.469 174.900 -0.046 0.000 0.790 412 G CA 0.108 45.180 45.100 -0.046 0.000 0.844 412 G HN 0.669 nan 8.290 nan 0.000 0.588 413 D N 1.478 121.855 120.400 -0.038 0.000 2.344 413 D HA 0.347 4.881 4.640 -0.177 0.000 0.244 413 D C 0.395 176.676 176.300 -0.032 0.000 1.134 413 D CA -0.224 53.755 54.000 -0.035 0.000 0.930 413 D CB 0.993 41.770 40.800 -0.038 0.000 1.175 413 D HN 0.492 nan 8.370 nan 0.000 0.437 414 R N -0.732 119.755 120.500 -0.022 0.000 2.265 414 R HA 0.490 4.724 4.340 -0.177 0.000 0.314 414 R C -0.501 175.790 176.300 -0.015 0.000 1.053 414 R CA -0.809 55.291 56.100 -0.000 0.000 0.931 414 R CB 0.660 30.974 30.300 0.022 0.000 1.024 414 R HN 0.267 nan 8.270 nan 0.000 0.457 415 V N -0.939 118.960 119.914 -0.024 0.000 2.569 415 V HA 0.857 4.871 4.120 -0.177 0.000 0.301 415 V C -0.407 175.592 176.094 -0.158 0.000 1.044 415 V CA -0.746 61.502 62.300 -0.086 0.000 0.874 415 V CB 1.467 33.232 31.823 -0.097 0.000 1.002 415 V HN 1.018 nan 8.190 nan 0.000 0.424 416 A N 5.415 128.065 122.820 -0.283 0.000 2.730 416 A HA 0.713 4.927 4.320 -0.177 0.000 0.280 416 A C -2.552 174.701 177.584 -0.551 0.000 1.307 416 A CA -0.272 51.419 52.037 -0.577 0.000 0.933 416 A CB 0.956 19.178 19.000 -1.298 0.000 1.431 416 A HN 0.647 nan 8.150 nan 0.000 0.601 417 P HA 0.318 nan 4.420 nan 0.000 0.268 417 P C 0.866 178.059 177.300 -0.178 0.000 1.329 417 P CA 0.991 63.956 63.100 -0.225 0.000 0.899 417 P CB 0.401 32.000 31.700 -0.168 0.000 1.378 418 G N 1.432 110.136 108.800 -0.160 0.000 2.856 418 G HA2 -0.228 3.626 3.960 -0.177 0.000 0.674 418 G HA3 -0.228 3.626 3.960 -0.177 0.000 0.674 418 G C 0.293 175.133 174.900 -0.101 0.000 1.519 418 G CA -0.122 44.909 45.100 -0.116 0.000 0.940 418 G HN 0.101 nan 8.290 nan 0.000 0.564 419 D N -0.957 119.395 120.400 -0.080 0.000 2.075 419 D HA -0.009 4.525 4.640 -0.177 0.000 0.196 419 D C 1.730 177.983 176.300 -0.078 0.000 0.985 419 D CA 2.460 56.419 54.000 -0.069 0.000 0.834 419 D CB -0.160 40.607 40.800 -0.055 0.000 0.987 419 D HN 1.008 nan 8.370 nan 0.000 0.452 420 V N -1.926 117.938 119.914 -0.083 0.000 3.074 420 V HA 0.558 4.572 4.120 -0.177 0.000 0.314 420 V C 0.101 176.126 176.094 -0.115 0.000 1.117 420 V CA -0.865 61.379 62.300 -0.092 0.000 1.014 420 V CB 2.491 34.266 31.823 -0.080 0.000 1.057 420 V HN 0.036 nan 8.190 nan 0.000 0.438 421 L N 1.650 122.795 121.223 -0.131 0.000 3.886 421 L HA 1.019 5.253 4.340 -0.177 0.000 0.194 421 L C 0.618 177.389 176.870 -0.166 0.000 1.190 421 L CA 0.971 55.716 54.840 -0.158 0.000 1.103 421 L CB 0.383 42.319 42.059 -0.205 0.000 1.665 421 L HN 1.134 nan 8.230 nan 0.000 0.752 422 A N -1.267 121.453 122.820 -0.167 0.000 2.443 422 A HA 0.622 4.836 4.320 -0.177 0.000 0.278 422 A C -1.198 176.307 177.584 -0.133 0.000 1.252 422 A CA 0.210 52.122 52.037 -0.208 0.000 0.816 422 A CB 0.405 19.224 19.000 -0.300 0.000 1.369 422 A HN 0.503 nan 8.150 nan 0.000 0.446 423 D N -0.363 119.952 120.400 -0.141 0.000 2.890 423 D HA -0.028 4.506 4.640 -0.177 0.000 0.226 423 D C 0.970 177.247 176.300 -0.038 0.000 1.207 423 D CA 2.377 56.351 54.000 -0.043 0.000 0.764 423 D CB -1.443 39.380 40.800 0.038 0.000 0.948 423 D HN 1.956 nan 8.370 nan 0.000 0.404 424 G N -0.199 108.569 108.800 -0.054 0.000 2.402 424 G HA2 0.024 3.878 3.960 -0.177 0.000 0.300 424 G HA3 0.024 3.878 3.960 -0.177 0.000 0.300 424 G C 1.372 176.248 174.900 -0.040 0.000 0.987 424 G CA 1.142 46.216 45.100 -0.042 0.000 0.881 424 G HN 1.755 nan 8.290 nan 0.000 0.512 425 G N -1.101 107.667 108.800 -0.053 0.000 2.213 425 G HA2 -0.283 3.571 3.960 -0.177 0.000 0.236 425 G HA3 -0.283 3.571 3.960 -0.177 0.000 0.236 425 G C 0.943 175.818 174.900 -0.041 0.000 0.991 425 G CA 0.940 46.010 45.100 -0.050 0.000 0.629 425 G HN 0.907 nan 8.290 nan 0.000 0.517 426 K N 0.082 120.467 120.400 -0.026 0.000 2.616 426 K HA 0.317 4.531 4.320 -0.177 0.000 0.192 426 K C 0.124 176.718 176.600 -0.011 0.000 1.031 426 K CA 0.901 57.182 56.287 -0.008 0.000 1.004 426 K CB 0.255 32.762 32.500 0.012 0.000 0.810 426 K HN 0.351 nan 8.250 nan 0.000 0.497 427 V N 0.698 120.585 119.914 -0.044 0.000 2.711 427 V HA 0.294 4.308 4.120 -0.177 0.000 0.304 427 V C -0.502 175.509 176.094 -0.138 0.000 1.097 427 V CA -1.072 61.181 62.300 -0.079 0.000 0.906 427 V CB 2.099 33.881 31.823 -0.069 0.000 1.015 427 V HN 0.039 nan 8.190 nan 0.000 0.427 428 K N 1.788 122.080 120.400 -0.180 0.000 2.367 428 K HA 0.823 5.037 4.320 -0.177 0.000 0.272 428 K C -1.216 175.202 176.600 -0.302 0.000 1.046 428 K CA -0.602 55.564 56.287 -0.201 0.000 0.895 428 K CB 2.332 34.755 32.500 -0.129 0.000 1.512 428 K HN 0.618 nan 8.250 nan 0.000 0.433 429 S N 1.129 116.674 115.700 -0.258 0.000 2.397 429 S HA 0.112 4.477 4.470 -0.177 0.000 0.190 429 S C -0.220 174.290 174.600 -0.149 0.000 1.100 429 S CA -0.545 57.503 58.200 -0.253 0.000 1.150 429 S CB 0.199 63.142 63.200 -0.427 0.000 1.302 429 S HN 0.708 nan 8.310 nan 0.000 0.417 430 D N 1.903 122.248 120.400 -0.091 0.000 2.218 430 D HA -0.147 4.387 4.640 -0.177 0.000 0.194 430 D C 0.982 177.196 176.300 -0.143 0.000 1.007 430 D CA 1.175 55.115 54.000 -0.099 0.000 0.879 430 D CB -0.714 40.072 40.800 -0.022 0.000 0.918 430 D HN 0.404 nan 8.370 nan 0.000 0.449 431 V N 0.995 120.894 119.914 -0.025 0.000 2.775 431 V HA 0.027 4.041 4.120 -0.177 0.000 0.299 431 V C 0.352 176.440 176.094 -0.012 0.000 1.062 431 V CA -0.507 61.840 62.300 0.078 0.000 1.063 431 V CB 0.357 32.282 31.823 0.170 0.000 0.994 431 V HN -0.020 nan 8.190 nan 0.000 0.483 432 Y N 1.584 121.912 120.300 0.047 0.000 2.286 432 Y HA 0.703 5.147 4.550 -0.177 0.000 0.347 432 Y C 1.050 176.988 175.900 0.063 0.000 1.351 432 Y CA 0.398 58.535 58.100 0.062 0.000 1.640 432 Y CB 0.226 38.745 38.460 0.098 0.000 1.560 432 Y HN 0.962 nan 8.280 nan 0.000 0.574 433 G N -0.246 108.697 108.800 0.237 0.000 2.316 433 G HA2 0.252 4.106 3.960 -0.177 0.000 0.349 433 G HA3 0.252 4.106 3.960 -0.177 0.000 0.349 433 G C -1.815 173.116 174.900 0.052 0.000 1.274 433 G CA -1.356 43.816 45.100 0.120 0.000 1.018 433 G HN 0.481 nan 8.290 nan 0.000 0.486 434 R N -0.907 119.596 120.500 0.006 0.000 2.621 434 R HA 0.672 4.906 4.340 -0.177 0.000 0.292 434 R C 0.176 176.460 176.300 -0.027 0.000 0.969 434 R CA -0.662 55.419 56.100 -0.032 0.000 0.887 434 R CB 1.766 32.014 30.300 -0.088 0.000 1.180 434 R HN 0.697 nan 8.270 nan 0.000 0.450 435 V N 3.196 123.095 119.914 -0.026 0.000 2.673 435 V HA 0.113 4.127 4.120 -0.177 0.000 0.303 435 V C 0.265 176.352 176.094 -0.012 0.000 1.046 435 V CA 0.314 62.606 62.300 -0.012 0.000 1.126 435 V CB 0.474 32.284 31.823 -0.021 0.000 0.934 435 V HN 0.546 nan 8.190 nan 0.000 0.487 436 E N 2.705 122.913 120.200 0.014 0.000 2.246 436 E HA 0.402 4.646 4.350 -0.177 0.000 0.266 436 E C -1.094 175.533 176.600 0.045 0.000 0.880 436 E CA -0.613 55.798 56.400 0.018 0.000 0.762 436 E CB 2.370 32.080 29.700 0.016 0.000 1.180 436 E HN 0.387 nan 8.360 nan 0.000 0.416 437 V N 3.199 123.141 119.914 0.046 0.000 2.350 437 V HA 0.187 4.201 4.120 -0.177 0.000 0.276 437 V C -0.618 175.527 176.094 0.084 0.000 1.028 437 V CA -0.454 61.890 62.300 0.074 0.000 0.860 437 V CB 1.339 33.200 31.823 0.062 0.000 0.990 437 V HN 0.621 nan 8.190 nan 0.000 0.453 438 D N 4.995 125.461 120.400 0.109 0.000 2.193 438 D HA 0.351 4.885 4.640 -0.177 0.000 0.249 438 D C 0.458 176.820 176.300 0.104 0.000 1.034 438 D CA -0.334 53.730 54.000 0.105 0.000 0.902 438 D CB 1.532 42.398 40.800 0.109 0.000 1.182 438 D HN 0.434 nan 8.370 nan 0.000 0.436 439 L N 3.058 124.326 121.223 0.074 0.000 2.906 439 L HA 0.135 4.369 4.340 -0.177 0.000 0.255 439 L C 1.374 178.247 176.870 0.005 0.000 1.166 439 L CA -0.202 54.672 54.840 0.057 0.000 0.977 439 L CB 0.314 42.403 42.059 0.051 0.000 1.313 439 L HN 0.466 nan 8.230 nan 0.000 0.549 440 V N -1.710 118.196 119.914 -0.013 0.000 2.523 440 V HA 0.070 4.084 4.120 -0.177 0.000 0.226 440 V C 1.874 177.906 176.094 -0.104 0.000 1.107 440 V CA 0.253 62.516 62.300 -0.062 0.000 1.121 440 V CB -0.512 31.258 31.823 -0.088 0.000 0.753 440 V HN 0.312 nan 8.190 nan 0.000 0.497 441 R N 1.347 121.788 120.500 -0.098 0.000 2.391 441 R HA 0.127 4.361 4.340 -0.177 0.000 0.225 441 R C 0.297 176.423 176.300 -0.290 0.000 1.079 441 R CA 0.673 56.683 56.100 -0.150 0.000 1.147 441 R CB -1.545 28.703 30.300 -0.086 0.000 1.103 441 R HN 0.847 nan 8.270 nan 0.000 0.499 442 N N -0.438 118.043 118.700 -0.366 0.000 2.716 442 N HA -0.192 4.442 4.740 -0.177 0.000 0.250 442 N C -0.885 174.253 175.510 -0.620 0.000 1.033 442 N CA 0.290 52.811 53.050 -0.883 0.000 0.727 442 N CB -0.720 36.689 38.487 -1.795 0.000 0.950 442 N HN 0.001 nan 8.380 nan 0.000 0.541 443 V N 0.462 120.297 119.914 -0.131 0.000 2.834 443 V HA 0.663 4.677 4.120 -0.177 0.000 0.313 443 V C 0.489 176.677 176.094 0.157 0.000 1.060 443 V CA -0.758 61.564 62.300 0.036 0.000 0.989 443 V CB 2.044 33.882 31.823 0.024 0.000 1.041 443 V HN 0.117 nan 8.190 nan 0.000 0.459 444 V N 1.454 121.485 119.914 0.195 0.000 2.569 444 V HA 0.693 4.707 4.120 -0.177 0.000 0.301 444 V C -0.707 175.481 176.094 0.157 0.000 1.044 444 V CA -1.053 61.358 62.300 0.184 0.000 0.874 444 V CB 1.578 33.529 31.823 0.213 0.000 1.002 444 V HN 0.818 nan 8.190 nan 0.000 0.424 445 R N 3.350 123.908 120.500 0.096 0.000 2.308 445 R HA 0.722 4.956 4.340 -0.177 0.000 0.305 445 R C -0.552 175.799 176.300 0.086 0.000 1.053 445 R CA -0.397 55.744 56.100 0.069 0.000 0.957 445 R CB 1.690 32.001 30.300 0.019 0.000 1.022 445 R HN 0.667 nan 8.270 nan 0.000 0.461 446 V N 4.477 124.459 119.914 0.113 0.000 2.260 446 V HA 0.150 4.164 4.120 -0.177 0.000 0.263 446 V C -0.105 176.039 176.094 0.084 0.000 1.036 446 V CA -0.809 61.556 62.300 0.109 0.000 0.874 446 V CB 0.973 32.906 31.823 0.183 0.000 1.116 446 V HN 0.554 nan 8.190 nan 0.000 0.454 447 V N 2.816 122.758 119.914 0.047 0.000 2.901 447 V HA 0.045 4.059 4.120 -0.177 0.000 0.307 447 V C 0.619 176.745 176.094 0.054 0.000 1.084 447 V CA -0.119 62.206 62.300 0.043 0.000 1.184 447 V CB 0.603 32.442 31.823 0.026 0.000 0.941 447 V HN 0.823 nan 8.190 nan 0.000 0.493 448 E N 2.206 122.446 120.200 0.068 0.000 2.229 448 E HA 0.485 4.729 4.350 -0.177 0.000 0.283 448 E C -0.025 176.617 176.600 0.069 0.000 1.030 448 E CA 0.116 56.573 56.400 0.094 0.000 0.836 448 E CB 1.228 30.990 29.700 0.104 0.000 1.068 448 E HN 0.614 nan 8.360 nan 0.000 0.401 449 S N 3.410 119.163 115.700 0.087 0.000 2.777 449 S HA 0.073 4.437 4.470 -0.177 0.000 0.140 449 S C -1.218 173.429 174.600 0.078 0.000 1.233 449 S CA -0.804 57.416 58.200 0.034 0.000 1.157 449 S CB -0.422 62.749 63.200 -0.047 0.000 1.600 449 S HN 0.529 nan 8.310 nan 0.000 0.432 450 Y N 2.400 122.726 120.300 0.042 0.000 2.890 450 Y HA 0.229 4.673 4.550 -0.177 0.000 0.341 450 Y C 0.052 175.976 175.900 0.040 0.000 1.269 450 Y CA 0.305 58.461 58.100 0.095 0.000 1.517 450 Y CB 0.215 38.643 38.460 -0.054 0.000 1.314 450 Y HN 0.495 nan 8.280 nan 0.000 0.622 451 D N 6.117 126.327 120.400 -0.317 0.000 2.342 451 D HA 0.235 4.770 4.640 -0.177 0.000 0.260 451 D C -0.297 175.486 176.300 -0.861 0.000 1.278 451 D CA 0.334 54.065 54.000 -0.448 0.000 0.910 451 D CB -0.208 40.510 40.800 -0.137 0.000 1.079 451 D HN 0.578 nan 8.370 nan 0.000 0.496 452 I N -0.940 119.235 120.570 -0.659 0.000 2.750 452 I HA 0.628 4.692 4.170 -0.177 0.000 0.308 452 I C -0.586 175.457 176.117 -0.124 0.000 1.016 452 I CA -1.050 59.986 61.300 -0.441 0.000 1.098 452 I CB 2.125 39.946 38.000 -0.299 0.000 1.279 452 I HN -0.043 nan 8.210 nan 0.000 0.454 453 D N 3.946 124.325 120.400 -0.034 0.000 2.462 453 D HA 0.668 5.202 4.640 -0.177 0.000 0.245 453 D C -1.027 175.306 176.300 0.055 0.000 1.122 453 D CA -0.297 53.720 54.000 0.028 0.000 0.864 453 D CB 1.651 42.455 40.800 0.007 0.000 1.098 453 D HN 0.886 nan 8.370 nan 0.000 0.541 454 A N 4.492 127.367 122.820 0.092 0.000 2.646 454 A HA 0.545 4.759 4.320 -0.177 0.000 0.312 454 A C -0.060 177.459 177.584 -0.108 0.000 1.245 454 A CA -0.764 51.288 52.037 0.025 0.000 0.755 454 A CB 0.402 19.465 19.000 0.105 0.000 1.132 454 A HN 0.518 nan 8.150 nan 0.000 0.458 455 R N 0.988 121.450 120.500 -0.064 0.000 2.553 455 R HA 0.760 4.994 4.340 -0.177 0.000 0.263 455 R C 0.133 176.399 176.300 -0.057 0.000 1.066 455 R CA -0.489 55.566 56.100 -0.076 0.000 1.135 455 R CB 1.005 31.284 30.300 -0.035 0.000 1.148 455 R HN 0.689 nan 8.270 nan 0.000 0.558 456 M N -0.467 119.110 119.600 -0.038 0.000 2.840 456 M HA 0.353 4.727 4.480 -0.177 0.000 0.283 456 M C 0.733 177.072 176.300 0.065 0.000 1.136 456 M CA -0.181 55.127 55.300 0.013 0.000 0.857 456 M CB 1.504 34.104 32.600 0.001 0.000 1.644 456 M HN 0.820 nan 8.290 nan 0.000 0.520 457 G N 0.487 109.387 108.800 0.166 0.000 2.546 457 G HA2 -0.288 3.566 3.960 -0.177 0.000 0.346 457 G HA3 -0.288 3.566 3.960 -0.177 0.000 0.346 457 G C 0.675 175.619 174.900 0.074 0.000 1.334 457 G CA 0.553 45.894 45.100 0.402 0.000 0.925 457 G HN 1.017 nan 8.290 nan 0.000 0.537 458 A N -1.099 121.619 122.820 -0.171 0.000 1.852 458 A HA -0.179 4.036 4.320 -0.177 0.000 0.217 458 A C 2.271 179.757 177.584 -0.164 0.000 1.215 458 A CA 3.304 55.107 52.037 -0.390 0.000 0.641 458 A CB -1.111 17.699 19.000 -0.317 0.000 0.838 458 A HN 1.498 nan 8.150 nan 0.000 0.450 459 E N -0.320 119.834 120.200 -0.076 0.000 2.240 459 E HA -0.358 3.886 4.350 -0.177 0.000 0.236 459 E C 2.034 178.599 176.600 -0.058 0.000 1.085 459 E CA 2.325 58.695 56.400 -0.050 0.000 0.979 459 E CB -0.577 29.110 29.700 -0.023 0.000 0.845 459 E HN 0.594 nan 8.360 nan 0.000 0.483 460 A N 1.079 123.871 122.820 -0.045 0.000 1.848 460 A HA -0.263 3.951 4.320 -0.177 0.000 0.217 460 A C 2.217 179.766 177.584 -0.059 0.000 1.220 460 A CA 2.452 54.466 52.037 -0.039 0.000 0.645 460 A CB -1.008 17.982 19.000 -0.017 0.000 0.842 460 A HN 0.475 nan 8.150 nan 0.000 0.451 461 I N 0.169 120.691 120.570 -0.081 0.000 2.113 461 I HA -0.355 3.709 4.170 -0.177 0.000 0.242 461 I C 2.657 178.708 176.117 -0.111 0.000 1.057 461 I CA 2.234 63.474 61.300 -0.100 0.000 1.314 461 I CB -1.820 36.084 38.000 -0.161 0.000 1.022 461 I HN 0.652 nan 8.210 nan 0.000 0.408 462 Q N 0.318 120.042 119.800 -0.127 0.000 2.029 462 Q HA -0.286 3.948 4.340 -0.177 0.000 0.209 462 Q C 2.269 178.209 176.000 -0.100 0.000 0.999 462 Q CA 2.160 57.896 55.803 -0.113 0.000 0.857 462 Q CB -0.004 28.678 28.738 -0.093 0.000 0.926 462 Q HN 0.513 nan 8.270 nan 0.000 0.415 463 Q N 0.319 120.072 119.800 -0.079 0.000 1.978 463 Q HA -0.238 3.996 4.340 -0.177 0.000 0.211 463 Q C 2.391 178.340 176.000 -0.084 0.000 1.013 463 Q CA 2.030 57.791 55.803 -0.070 0.000 0.869 463 Q CB -0.979 27.729 28.738 -0.050 0.000 0.953 463 Q HN 0.514 nan 8.270 nan 0.000 0.415 464 L N 0.302 121.478 121.223 -0.077 0.000 2.011 464 L HA -0.296 3.938 4.340 -0.177 0.000 0.225 464 L C 2.660 179.460 176.870 -0.117 0.000 1.084 464 L CA 1.595 56.386 54.840 -0.082 0.000 0.791 464 L CB -1.229 40.789 42.059 -0.067 0.000 0.898 464 L HN 0.206 nan 8.230 nan 0.000 0.440 465 L N -0.335 120.802 121.223 -0.143 0.000 2.021 465 L HA -0.274 3.960 4.340 -0.177 0.000 0.215 465 L C 2.820 179.550 176.870 -0.233 0.000 1.074 465 L CA 1.788 56.503 54.840 -0.207 0.000 0.760 465 L CB -0.678 41.244 42.059 -0.228 0.000 0.889 465 L HN 0.340 nan 8.230 nan 0.000 0.433 466 K N 0.602 120.884 120.400 -0.197 0.000 1.969 466 K HA -0.153 4.061 4.320 -0.177 0.000 0.216 466 K C 0.780 177.286 176.600 -0.157 0.000 1.048 466 K CA 1.237 57.410 56.287 -0.190 0.000 0.948 466 K CB -0.424 31.995 32.500 -0.136 0.000 0.726 466 K HN 0.291 nan 8.250 nan 0.000 0.442 467 E N 1.606 121.736 120.200 -0.117 0.000 1.954 467 E HA 0.056 4.300 4.350 -0.177 0.000 0.272 467 E C -1.095 175.444 176.600 -0.101 0.000 1.170 467 E CA 0.044 56.388 56.400 -0.093 0.000 1.101 467 E CB -0.162 29.497 29.700 -0.068 0.000 1.076 467 E HN 0.037 nan 8.360 nan 0.000 0.449 468 L N 2.352 123.503 121.223 -0.119 0.000 2.949 468 L HA 0.159 4.393 4.340 -0.177 0.000 0.258 468 L C -1.798 174.995 176.870 -0.129 0.000 0.941 468 L CA -0.338 54.429 54.840 -0.121 0.000 1.053 468 L CB 1.836 43.806 42.059 -0.148 0.000 1.550 468 L HN 0.124 nan 8.230 nan 0.000 0.493 469 D N 4.437 124.778 120.400 -0.098 0.000 2.274 469 D HA 0.354 4.888 4.640 -0.177 0.000 0.239 469 D C 1.083 177.333 176.300 -0.084 0.000 1.104 469 D CA -0.318 53.629 54.000 -0.090 0.000 0.840 469 D CB 1.350 42.111 40.800 -0.065 0.000 1.100 469 D HN 0.624 nan 8.370 nan 0.000 0.477 470 L N 3.092 124.258 121.223 -0.094 0.000 2.044 470 L HA -0.073 4.161 4.340 -0.177 0.000 0.205 470 L C 2.134 178.978 176.870 -0.045 0.000 1.075 470 L CA 0.381 55.175 54.840 -0.077 0.000 0.747 470 L CB -0.466 41.542 42.059 -0.085 0.000 0.903 470 L HN 0.362 nan 8.230 nan 0.000 0.435 471 E N 1.011 121.188 120.200 -0.040 0.000 2.236 471 E HA -0.302 3.942 4.350 -0.177 0.000 0.205 471 E C 2.037 178.623 176.600 -0.023 0.000 1.028 471 E CA 1.666 58.051 56.400 -0.025 0.000 0.827 471 E CB -0.261 29.424 29.700 -0.025 0.000 0.735 471 E HN 0.600 nan 8.360 nan 0.000 0.470 472 A N 1.350 124.151 122.820 -0.031 0.000 1.861 472 A HA -0.087 4.127 4.320 -0.177 0.000 0.214 472 A C 2.308 179.876 177.584 -0.027 0.000 1.322 472 A CA 0.953 52.972 52.037 -0.029 0.000 0.601 472 A CB -1.125 17.854 19.000 -0.035 0.000 0.966 472 A HN 0.205 nan 8.150 nan 0.000 0.471 473 L N 0.320 121.524 121.223 -0.032 0.000 2.151 473 L HA -0.339 3.896 4.340 -0.177 0.000 0.219 473 L C 2.502 179.362 176.870 -0.017 0.000 1.083 473 L CA 2.753 57.577 54.840 -0.027 0.000 0.782 473 L CB -0.469 41.571 42.059 -0.032 0.000 0.891 473 L HN 0.768 nan 8.230 nan 0.000 0.439 474 E N 0.100 120.292 120.200 -0.013 0.000 2.028 474 E HA -0.355 3.889 4.350 -0.177 0.000 0.217 474 E C 2.013 178.613 176.600 0.001 0.000 1.039 474 E CA 2.400 58.800 56.400 -0.000 0.000 0.882 474 E CB -0.324 29.377 29.700 0.001 0.000 0.794 474 E HN 0.549 nan 8.360 nan 0.000 0.488 475 K N 0.359 120.758 120.400 -0.003 0.000 2.280 475 K HA -0.165 4.049 4.320 -0.177 0.000 0.202 475 K C 2.286 178.877 176.600 -0.015 0.000 1.047 475 K CA 1.195 57.481 56.287 -0.002 0.000 0.942 475 K CB -0.146 32.353 32.500 -0.002 0.000 0.739 475 K HN 0.358 nan 8.250 nan 0.000 0.457 476 E N 1.511 121.698 120.200 -0.022 0.000 2.007 476 E HA -0.174 4.070 4.350 -0.177 0.000 0.194 476 E C 1.922 178.496 176.600 -0.044 0.000 0.999 476 E CA 0.967 57.346 56.400 -0.035 0.000 0.811 476 E CB 0.015 29.696 29.700 -0.031 0.000 0.762 476 E HN 0.221 nan 8.360 nan 0.000 0.450 477 L N 0.776 121.983 121.223 -0.026 0.000 2.191 477 L HA -0.161 4.073 4.340 -0.177 0.000 0.212 477 L C 2.644 179.506 176.870 -0.013 0.000 1.103 477 L CA 0.103 54.932 54.840 -0.019 0.000 0.769 477 L CB -0.344 41.716 42.059 0.001 0.000 0.908 477 L HN 0.266 nan 8.230 nan 0.000 0.438 478 L N 0.095 121.317 121.223 -0.002 0.000 2.189 478 L HA -0.178 4.056 4.340 -0.177 0.000 0.214 478 L C 1.970 178.853 176.870 0.021 0.000 1.097 478 L CA 1.636 56.492 54.840 0.027 0.000 0.764 478 L CB -0.514 41.562 42.059 0.028 0.000 0.900 478 L HN 0.209 nan 8.230 nan 0.000 0.436 479 E N -0.303 119.839 120.200 -0.098 0.000 2.335 479 E HA 0.043 4.288 4.350 -0.177 0.000 0.191 479 E C 0.722 176.979 176.600 -0.571 0.000 1.077 479 E CA 0.164 56.332 56.400 -0.387 0.000 1.010 479 E CB 0.085 29.605 29.700 -0.300 0.000 1.141 479 E HN 0.607 nan 8.360 nan 0.000 0.452 480 E N -0.665 119.422 120.200 -0.188 0.000 2.653 480 E HA 0.117 4.361 4.350 -0.177 0.000 0.218 480 E C 1.573 178.253 176.600 0.132 0.000 0.911 480 E CA -0.115 56.260 56.400 -0.042 0.000 1.355 480 E CB 0.183 29.866 29.700 -0.027 0.000 1.314 480 E HN 0.080 nan 8.360 nan 0.000 0.686 481 M N 1.319 121.017 119.600 0.163 0.000 2.108 481 M HA -0.246 4.128 4.480 -0.177 0.000 0.257 481 M C 1.905 178.295 176.300 0.150 0.000 1.071 481 M CA 1.978 57.370 55.300 0.152 0.000 1.093 481 M CB 0.141 32.823 32.600 0.137 0.000 1.345 481 M HN -0.049 nan 8.290 nan 0.000 0.403 482 K N -2.369 118.158 120.400 0.211 0.000 2.548 482 K HA 0.013 4.227 4.320 -0.177 0.000 0.209 482 K C 1.399 178.015 176.600 0.026 0.000 1.420 482 K CA 0.283 56.598 56.287 0.046 0.000 0.985 482 K CB 0.089 32.549 32.500 -0.067 0.000 1.249 482 K HN 0.295 nan 8.250 nan 0.000 0.557 483 H N 1.364 120.442 119.070 0.013 0.000 2.267 483 H HA -0.108 4.342 4.556 -0.177 0.000 0.291 483 H C -1.445 173.889 175.328 0.011 0.000 1.094 483 H CA 1.420 57.475 56.048 0.011 0.000 1.227 483 H CB -1.691 28.077 29.762 0.010 0.000 1.351 483 H HN 0.193 nan 8.280 nan 0.000 0.483 484 P HA 0.197 nan 4.420 nan 0.000 0.232 484 P C 0.275 177.612 177.300 0.061 0.000 1.814 484 P CA 0.110 63.261 63.100 0.084 0.000 1.085 484 P CB 1.174 32.914 31.700 0.067 0.000 1.901 485 S N 1.950 117.676 115.700 0.044 0.000 2.507 485 S HA -0.335 4.029 4.470 -0.177 0.000 0.327 485 S C 1.601 176.219 174.600 0.030 0.000 1.255 485 S CA 1.920 60.136 58.200 0.027 0.000 1.276 485 S CB -0.263 62.948 63.200 0.017 0.000 1.296 485 S HN 0.514 nan 8.310 nan 0.000 0.459 486 R N -0.931 119.586 120.500 0.029 0.000 2.383 486 R HA 0.399 4.633 4.340 -0.177 0.000 0.205 486 R C 2.218 178.535 176.300 0.029 0.000 0.875 486 R CA 0.573 56.689 56.100 0.027 0.000 1.039 486 R CB -0.153 30.159 30.300 0.021 0.000 1.267 486 R HN 0.360 nan 8.270 nan 0.000 0.635 487 A N 2.087 124.924 122.820 0.028 0.000 1.881 487 A HA -0.130 4.084 4.320 -0.177 0.000 0.208 487 A C 1.795 179.396 177.584 0.029 0.000 1.264 487 A CA 1.056 53.109 52.037 0.026 0.000 0.629 487 A CB -0.534 18.480 19.000 0.024 0.000 0.906 487 A HN 0.156 nan 8.150 nan 0.000 0.476 488 R N -0.307 120.211 120.500 0.030 0.000 2.341 488 R HA -0.066 4.168 4.340 -0.177 0.000 0.213 488 R C 2.224 178.545 176.300 0.035 0.000 1.082 488 R CA 1.080 57.197 56.100 0.029 0.000 1.017 488 R CB -0.318 29.997 30.300 0.024 0.000 0.860 488 R HN 0.653 nan 8.270 nan 0.000 0.473 489 R N 1.079 121.605 120.500 0.043 0.000 2.115 489 R HA -0.045 4.189 4.340 -0.177 0.000 0.226 489 R C 1.975 178.302 176.300 0.046 0.000 1.100 489 R CA 1.189 57.321 56.100 0.053 0.000 0.980 489 R CB -0.109 30.227 30.300 0.060 0.000 0.875 489 R HN 0.181 nan 8.270 nan 0.000 0.445 490 A N 2.277 125.120 122.820 0.039 0.000 1.828 490 A HA -0.226 3.988 4.320 -0.177 0.000 0.215 490 A C 2.100 179.706 177.584 0.037 0.000 1.203 490 A CA 1.735 53.794 52.037 0.036 0.000 0.614 490 A CB -0.793 18.226 19.000 0.031 0.000 0.844 490 A HN 0.455 nan 8.150 nan 0.000 0.445 491 K N -0.113 120.307 120.400 0.034 0.000 2.015 491 K HA -0.232 3.982 4.320 -0.177 0.000 0.216 491 K C 2.085 178.707 176.600 0.036 0.000 1.052 491 K CA 1.955 58.263 56.287 0.034 0.000 0.937 491 K CB -0.677 31.842 32.500 0.030 0.000 0.719 491 K HN 0.367 nan 8.250 nan 0.000 0.446 492 A N 2.412 125.253 122.820 0.034 0.000 1.901 492 A HA -0.366 3.848 4.320 -0.177 0.000 0.227 492 A C 2.184 179.791 177.584 0.039 0.000 1.551 492 A CA 3.402 55.459 52.037 0.033 0.000 0.769 492 A CB -1.380 17.641 19.000 0.035 0.000 0.845 492 A HN 0.731 nan 8.150 nan 0.000 0.481 493 R N -1.126 119.401 120.500 0.045 0.000 2.133 493 R HA -0.269 3.965 4.340 -0.177 0.000 0.245 493 R C 1.957 178.287 176.300 0.049 0.000 1.137 493 R CA 1.869 57.998 56.100 0.048 0.000 0.947 493 R CB -0.765 29.566 30.300 0.051 0.000 0.865 493 R HN 0.416 nan 8.270 nan 0.000 0.437 494 K N 0.949 121.378 120.400 0.048 0.000 2.001 494 K HA -0.236 3.978 4.320 -0.177 0.000 0.223 494 K C 2.109 178.742 176.600 0.055 0.000 1.055 494 K CA 2.139 58.457 56.287 0.051 0.000 0.965 494 K CB -0.854 31.675 32.500 0.048 0.000 0.730 494 K HN 0.368 nan 8.250 nan 0.000 0.449 495 R N 0.703 121.234 120.500 0.051 0.000 2.103 495 R HA -0.169 4.066 4.340 -0.177 0.000 0.242 495 R C 2.432 178.765 176.300 0.055 0.000 1.142 495 R CA 1.393 57.525 56.100 0.053 0.000 0.960 495 R CB -0.399 29.926 30.300 0.041 0.000 0.858 495 R HN 0.136 nan 8.270 nan 0.000 0.439 496 L N 1.360 122.612 121.223 0.048 0.000 2.012 496 L HA -0.196 4.038 4.340 -0.177 0.000 0.210 496 L C 2.193 179.098 176.870 0.058 0.000 1.073 496 L CA 2.280 57.149 54.840 0.048 0.000 0.748 496 L CB -0.802 41.283 42.059 0.043 0.000 0.891 496 L HN 0.216 nan 8.230 nan 0.000 0.431 497 E N -0.555 119.681 120.200 0.059 0.000 2.097 497 E HA -0.188 4.056 4.350 -0.177 0.000 0.196 497 E C 2.039 178.680 176.600 0.069 0.000 1.000 497 E CA 1.953 58.389 56.400 0.060 0.000 0.804 497 E CB -0.641 29.093 29.700 0.057 0.000 0.740 497 E HN 0.327 nan 8.360 nan 0.000 0.454 498 V N 0.329 120.293 119.914 0.082 0.000 2.223 498 V HA -0.406 3.608 4.120 -0.177 0.000 0.253 498 V C 2.504 178.700 176.094 0.170 0.000 1.061 498 V CA 2.260 64.631 62.300 0.118 0.000 1.035 498 V CB -1.153 30.759 31.823 0.149 0.000 0.653 498 V HN 0.280 nan 8.190 nan 0.000 0.454 499 V N -0.186 119.826 119.914 0.163 0.000 2.222 499 V HA -0.396 3.618 4.120 -0.177 0.000 0.252 499 V C 2.504 178.685 176.094 0.145 0.000 1.060 499 V CA 2.753 65.146 62.300 0.155 0.000 1.027 499 V CB -1.028 30.837 31.823 0.071 0.000 0.644 499 V HN 0.461 nan 8.190 nan 0.000 0.448 500 R N 0.623 121.178 120.500 0.092 0.000 2.159 500 R HA -0.253 3.981 4.340 -0.177 0.000 0.249 500 R C 2.242 178.586 176.300 0.074 0.000 1.136 500 R CA 2.285 58.428 56.100 0.071 0.000 0.951 500 R CB -1.307 29.026 30.300 0.055 0.000 0.876 500 R HN 0.577 nan 8.270 nan 0.000 0.440 501 A N -1.130 121.728 122.820 0.063 0.000 1.877 501 A HA -0.142 4.072 4.320 -0.177 0.000 0.216 501 A C 2.339 179.937 177.584 0.024 0.000 1.186 501 A CA 1.552 53.596 52.037 0.012 0.000 0.620 501 A CB -0.813 18.158 19.000 -0.050 0.000 0.822 501 A HN 0.405 nan 8.150 nan 0.000 0.443 502 F N -0.372 119.574 119.950 -0.006 0.000 2.039 502 F HA -0.120 4.301 4.527 -0.176 0.000 0.294 502 F C 2.282 178.068 175.800 -0.023 0.000 1.130 502 F CA 1.390 59.377 58.000 -0.022 0.000 1.189 502 F CB -0.286 38.690 39.000 -0.041 0.000 0.983 502 F HN 0.110 nan 8.300 nan 0.000 0.471 503 L N -0.094 121.260 121.223 0.218 0.000 2.010 503 L HA -0.346 3.888 4.340 -0.177 0.000 0.219 503 L C 2.181 179.098 176.870 0.078 0.000 1.077 503 L CA 1.732 56.630 54.840 0.098 0.000 0.773 503 L CB -0.590 41.507 42.059 0.063 0.000 0.892 503 L HN 0.309 nan 8.230 nan 0.000 0.436 504 D N -0.342 120.102 120.400 0.074 0.000 2.074 504 D HA -0.104 4.430 4.640 -0.177 0.000 0.221 504 D C 0.747 177.080 176.300 0.054 0.000 0.972 504 D CA 0.790 54.822 54.000 0.053 0.000 0.901 504 D CB 0.061 40.887 40.800 0.043 0.000 1.047 504 D HN 0.085 nan 8.370 nan 0.000 0.453 505 S N 0.845 116.571 115.700 0.043 0.000 2.898 505 S HA 0.277 4.641 4.470 -0.177 0.000 0.324 505 S C 0.563 175.200 174.600 0.062 0.000 1.171 505 S CA 0.027 58.248 58.200 0.036 0.000 1.288 505 S CB -0.377 62.824 63.200 0.002 0.000 1.490 505 S HN 0.422 nan 8.310 nan 0.000 0.570 506 G N 4.207 113.053 108.800 0.076 0.000 2.502 506 G HA2 -0.105 3.749 3.960 -0.177 0.000 0.280 506 G HA3 -0.105 3.749 3.960 -0.177 0.000 0.280 506 G C 0.280 175.269 174.900 0.149 0.000 0.611 506 G CA 0.067 45.227 45.100 0.100 0.000 1.103 506 G HN 0.619 nan 8.290 nan 0.000 0.271 507 N N 1.210 120.033 118.700 0.206 0.000 3.574 507 N HA 0.561 5.195 4.740 -0.177 0.000 0.340 507 N C -0.573 175.000 175.510 0.106 0.000 1.650 507 N CA -0.770 52.464 53.050 0.306 0.000 0.762 507 N CB 1.396 40.102 38.487 0.365 0.000 2.206 507 N HN 0.455 nan 8.380 nan 0.000 0.621 508 R N 0.816 121.227 120.500 -0.150 0.000 2.792 508 R HA 0.178 4.412 4.340 -0.177 0.000 0.285 508 R C -2.024 173.734 176.300 -0.903 0.000 1.207 508 R CA -0.977 54.593 56.100 -0.883 0.000 1.091 508 R CB 2.342 31.626 30.300 -1.693 0.000 1.263 508 R HN 0.325 nan 8.270 nan 0.000 0.403 509 P HA -0.286 nan 4.420 nan 0.000 0.219 509 P C 0.378 177.441 177.300 -0.394 0.000 1.158 509 P CA 1.712 64.377 63.100 -0.726 0.000 0.895 509 P CB 0.460 31.689 31.700 -0.786 0.000 0.792 510 E N -0.287 119.611 120.200 -0.503 0.000 2.169 510 E HA -0.218 4.026 4.350 -0.177 0.000 0.202 510 E C 2.151 178.751 176.600 0.001 0.000 1.016 510 E CA 1.651 57.870 56.400 -0.301 0.000 0.817 510 E CB -1.512 27.939 29.700 -0.415 0.000 0.736 510 E HN 0.557 nan 8.360 nan 0.000 0.462 511 W N 0.513 121.740 121.300 -0.122 0.000 2.308 511 W HA -0.247 4.307 4.660 -0.177 0.000 0.301 511 W C 2.136 178.530 176.519 -0.208 0.000 1.220 511 W CA 0.405 57.672 57.345 -0.130 0.000 1.240 511 W CB -0.432 28.978 29.460 -0.084 0.000 1.142 511 W HN 0.103 nan 8.180 nan 0.000 0.521 512 M N -0.635 118.931 119.600 -0.057 0.000 2.530 512 M HA -0.097 4.277 4.480 -0.177 0.000 0.261 512 M C 0.698 176.899 176.300 -0.166 0.000 1.067 512 M CA 0.796 55.858 55.300 -0.398 0.000 1.071 512 M CB -0.498 31.791 32.600 -0.519 0.000 1.405 512 M HN -0.083 nan 8.290 nan 0.000 0.478 513 I N -0.140 120.395 120.570 -0.057 0.000 2.783 513 I HA 0.422 4.486 4.170 -0.177 0.000 0.312 513 I C -0.642 175.476 176.117 0.002 0.000 0.988 513 I CA -0.881 60.393 61.300 -0.044 0.000 1.182 513 I CB 1.177 39.129 38.000 -0.080 0.000 1.368 513 I HN -0.048 nan 8.210 nan 0.000 0.511 514 L N 4.808 126.027 121.223 -0.005 0.000 2.354 514 L HA 0.569 4.803 4.340 -0.177 0.000 0.264 514 L C 0.043 176.913 176.870 0.000 0.000 1.008 514 L CA -0.247 54.596 54.840 0.004 0.000 0.819 514 L CB 1.860 43.927 42.059 0.014 0.000 1.339 514 L HN 0.775 nan 8.230 nan 0.000 0.420 515 E N 0.690 120.889 120.200 -0.001 0.000 2.490 515 E HA 0.209 4.453 4.350 -0.177 0.000 0.184 515 E C -0.383 176.228 176.600 0.019 0.000 0.927 515 E CA -0.145 56.259 56.400 0.007 0.000 1.387 515 E CB 0.839 30.539 29.700 0.000 0.000 1.570 515 E HN 0.471 nan 8.360 nan 0.000 0.762 516 A N 1.823 124.645 122.820 0.003 0.000 2.709 516 A HA 0.527 4.741 4.320 -0.177 0.000 0.332 516 A C -0.457 177.151 177.584 0.040 0.000 1.241 516 A CA -0.472 51.578 52.037 0.021 0.000 0.782 516 A CB 0.830 19.770 19.000 -0.099 0.000 1.109 516 A HN 0.067 nan 8.150 nan 0.000 0.472 517 V N 3.689 123.659 119.914 0.093 0.000 2.405 517 V HA 0.209 4.223 4.120 -0.177 0.000 0.264 517 V C -2.092 174.108 176.094 0.177 0.000 1.048 517 V CA -1.234 61.128 62.300 0.104 0.000 0.966 517 V CB 0.699 32.579 31.823 0.096 0.000 1.015 517 V HN 0.632 nan 8.190 nan 0.000 0.477 518 P HA 0.258 nan 4.420 nan 0.000 0.271 518 P C -0.852 176.632 177.300 0.307 0.000 1.233 518 P CA -0.065 63.188 63.100 0.254 0.000 0.789 518 P CB 0.658 32.520 31.700 0.269 0.000 0.951 519 V N 1.953 122.036 119.914 0.282 0.000 2.668 519 V HA 0.200 4.214 4.120 -0.177 0.000 0.304 519 V C -0.088 176.113 176.094 0.177 0.000 1.071 519 V CA -0.892 61.546 62.300 0.231 0.000 0.894 519 V CB 1.711 33.515 31.823 -0.031 0.000 1.008 519 V HN 0.420 nan 8.190 nan 0.000 0.425 520 L N 7.620 128.960 121.223 0.196 0.000 2.506 520 L HA 0.355 4.589 4.340 -0.177 0.000 0.281 520 L C -2.257 174.599 176.870 -0.023 0.000 1.228 520 L CA -0.203 54.697 54.840 0.101 0.000 0.850 520 L CB 0.388 42.521 42.059 0.123 0.000 1.110 520 L HN 0.410 nan 8.230 nan 0.000 0.496 521 P HA 0.112 nan 4.420 nan 0.000 0.269 521 P C -2.235 174.911 177.300 -0.257 0.000 1.209 521 P CA -0.863 62.197 63.100 -0.066 0.000 0.776 521 P CB 0.257 31.951 31.700 -0.011 0.000 0.876 522 P HA -0.217 nan 4.420 nan 0.000 0.212 522 P C 0.677 177.836 177.300 -0.235 0.000 1.178 522 P CA 1.642 64.389 63.100 -0.588 0.000 0.915 522 P CB -0.214 31.063 31.700 -0.705 0.000 0.788 523 D N -1.257 119.050 120.400 -0.155 0.000 2.411 523 D HA -0.089 4.445 4.640 -0.177 0.000 0.226 523 D C 1.469 177.728 176.300 -0.068 0.000 0.988 523 D CA 0.784 54.733 54.000 -0.086 0.000 0.938 523 D CB -0.386 40.343 40.800 -0.118 0.000 0.883 523 D HN 0.272 nan 8.370 nan 0.000 0.525 524 L N -0.370 120.809 121.223 -0.073 0.000 2.590 524 L HA 0.167 4.401 4.340 -0.177 0.000 0.227 524 L C 1.235 178.104 176.870 -0.002 0.000 1.099 524 L CA 0.115 54.940 54.840 -0.026 0.000 0.872 524 L CB 0.293 42.349 42.059 -0.006 0.000 1.088 524 L HN -0.022 nan 8.230 nan 0.000 0.479 525 R N -1.281 119.208 120.500 -0.018 0.000 2.635 525 R HA 0.352 4.586 4.340 -0.177 0.000 0.393 525 R C -2.787 173.558 176.300 0.075 0.000 1.070 525 R CA -1.306 54.809 56.100 0.025 0.000 1.118 525 R CB -0.450 29.864 30.300 0.024 0.000 1.341 525 R HN -0.072 nan 8.270 nan 0.000 0.628 526 P HA -0.103 nan 4.420 nan 0.000 0.271 526 P C -0.610 176.786 177.300 0.159 0.000 1.228 526 P CA 0.043 63.240 63.100 0.163 0.000 0.797 526 P CB 0.412 32.157 31.700 0.075 0.000 0.914 527 M N 1.419 121.056 119.600 0.061 0.000 2.067 527 M HA 0.396 4.770 4.480 -0.177 0.000 0.286 527 M C -1.966 174.286 176.300 -0.080 0.000 0.922 527 M CA -0.341 54.900 55.300 -0.099 0.000 0.937 527 M CB 0.868 33.182 32.600 -0.477 0.000 1.550 527 M HN -0.067 nan 8.290 nan 0.000 0.433 528 V N 3.762 123.699 119.914 0.038 0.000 2.680 528 V HA 0.512 4.526 4.120 -0.177 0.000 0.309 528 V C -0.399 175.847 176.094 0.253 0.000 1.052 528 V CA -0.798 61.562 62.300 0.100 0.000 0.908 528 V CB 2.155 34.017 31.823 0.065 0.000 1.001 528 V HN 0.805 nan 8.190 nan 0.000 0.431 529 Q N 1.756 121.752 119.800 0.327 0.000 2.373 529 Q HA 0.414 4.648 4.340 -0.177 0.000 0.255 529 Q C 0.175 176.181 176.000 0.010 0.000 0.980 529 Q CA 0.307 56.260 55.803 0.251 0.000 0.882 529 Q CB 1.548 30.404 28.738 0.195 0.000 1.249 529 Q HN 0.723 nan 8.270 nan 0.000 0.438 530 V N -0.369 119.465 119.914 -0.133 0.000 4.508 530 V HA 0.409 4.423 4.120 -0.177 0.000 0.169 530 V C -0.442 175.581 176.094 -0.119 0.000 1.084 530 V CA 0.320 62.566 62.300 -0.090 0.000 1.371 530 V CB -0.012 31.777 31.823 -0.057 0.000 1.878 530 V HN 0.791 nan 8.190 nan 0.000 0.506 531 D N 0.707 121.020 120.400 -0.145 0.000 2.303 531 D HA 0.545 5.079 4.640 -0.177 0.000 0.236 531 D C 0.820 177.033 176.300 -0.145 0.000 1.068 531 D CA 0.541 54.469 54.000 -0.120 0.000 0.830 531 D CB 1.082 41.832 40.800 -0.082 0.000 1.109 531 D HN 1.120 nan 8.370 nan 0.000 0.496 532 G N 3.240 111.970 108.800 -0.116 0.000 2.385 532 G HA2 0.029 3.883 3.960 -0.177 0.000 0.284 532 G HA3 0.029 3.883 3.960 -0.177 0.000 0.284 532 G C 1.025 175.838 174.900 -0.144 0.000 0.899 532 G CA 0.730 45.766 45.100 -0.106 0.000 1.204 532 G HN 1.531 nan 8.290 nan 0.000 0.486 533 G N -1.599 107.067 108.800 -0.223 0.000 2.134 533 G HA2 -0.144 3.710 3.960 -0.177 0.000 0.209 533 G HA3 -0.144 3.710 3.960 -0.177 0.000 0.209 533 G C 0.184 174.770 174.900 -0.524 0.000 0.993 533 G CA 0.766 45.688 45.100 -0.297 0.000 0.669 533 G HN 1.087 nan 8.290 nan 0.000 0.519 534 R N -1.022 119.091 120.500 -0.645 0.000 2.867 534 R HA 0.835 5.069 4.340 -0.177 0.000 0.268 534 R C -0.638 175.141 176.300 -0.869 0.000 1.014 534 R CA -0.781 54.900 56.100 -0.698 0.000 0.946 534 R CB 1.140 31.286 30.300 -0.257 0.000 1.208 534 R HN 0.092 nan 8.270 nan 0.000 0.477 535 F N -0.197 119.741 119.950 -0.021 0.000 2.764 535 F HA 0.877 5.298 4.527 -0.177 0.000 0.347 535 F C -0.287 175.501 175.800 -0.021 0.000 1.151 535 F CA -1.065 56.919 58.000 -0.027 0.000 1.021 535 F CB 1.303 40.277 39.000 -0.044 0.000 1.438 535 F HN 0.568 nan 8.300 nan 0.000 0.516 536 A N -0.315 122.631 122.820 0.210 0.000 2.587 536 A HA 0.925 5.139 4.320 -0.177 0.000 0.293 536 A C -0.934 176.702 177.584 0.087 0.000 1.087 536 A CA -0.318 51.787 52.037 0.113 0.000 0.692 536 A CB 1.554 20.597 19.000 0.071 0.000 1.291 536 A HN 0.987 nan 8.150 nan 0.000 0.407 537 T N -1.550 113.047 114.554 0.071 0.000 2.645 537 T HA 0.701 4.945 4.350 -0.177 0.000 0.300 537 T C -0.181 174.561 174.700 0.070 0.000 1.210 537 T CA -0.274 61.870 62.100 0.074 0.000 1.034 537 T CB 0.994 69.910 68.868 0.080 0.000 1.537 537 T HN 1.221 nan 8.240 nan 0.000 0.492 538 S N -0.487 115.263 115.700 0.082 0.000 2.565 538 S HA 0.328 4.692 4.470 -0.177 0.000 0.290 538 S C 0.571 175.216 174.600 0.076 0.000 1.150 538 S CA -0.600 57.643 58.200 0.072 0.000 1.058 538 S CB 0.542 63.787 63.200 0.074 0.000 1.032 538 S HN 0.617 nan 8.310 nan 0.000 0.510 539 D N 3.260 123.694 120.400 0.056 0.000 2.182 539 D HA -0.130 4.404 4.640 -0.177 0.000 0.201 539 D C 1.968 178.304 176.300 0.060 0.000 0.986 539 D CA 1.061 55.090 54.000 0.049 0.000 0.847 539 D CB -0.242 40.575 40.800 0.029 0.000 0.942 539 D HN 0.508 nan 8.370 nan 0.000 0.467 540 L N 1.148 122.409 121.223 0.062 0.000 1.987 540 L HA -0.310 3.924 4.340 -0.177 0.000 0.230 540 L C 2.225 179.233 176.870 0.229 0.000 1.089 540 L CA 1.515 56.397 54.840 0.069 0.000 0.802 540 L CB -1.095 41.050 42.059 0.144 0.000 0.905 540 L HN 0.019 nan 8.230 nan 0.000 0.441 541 N N 0.199 119.074 118.700 0.291 0.000 2.106 541 N HA -0.277 4.357 4.740 -0.177 0.000 0.200 541 N C 1.474 177.108 175.510 0.206 0.000 1.014 541 N CA 2.285 55.487 53.050 0.253 0.000 0.891 541 N CB -0.844 37.751 38.487 0.179 0.000 1.069 541 N HN 0.391 nan 8.380 nan 0.000 0.490 542 D N 0.596 121.076 120.400 0.133 0.000 2.127 542 D HA -0.102 4.432 4.640 -0.177 0.000 0.190 542 D C 2.280 178.632 176.300 0.087 0.000 1.000 542 D CA 0.860 54.915 54.000 0.092 0.000 0.839 542 D CB -0.455 40.383 40.800 0.063 0.000 0.955 542 D HN 0.172 nan 8.370 nan 0.000 0.446 543 L N -0.579 120.679 121.223 0.058 0.000 1.963 543 L HA -0.279 3.955 4.340 -0.177 0.000 0.220 543 L C 2.370 179.272 176.870 0.054 0.000 1.076 543 L CA 1.438 56.283 54.840 0.007 0.000 0.772 543 L CB -0.769 41.239 42.059 -0.085 0.000 0.892 543 L HN 0.167 nan 8.230 nan 0.000 0.435 544 Y N 0.402 120.707 120.300 0.008 0.000 2.030 544 Y HA -0.355 4.089 4.550 -0.177 0.000 0.272 544 Y C 2.779 178.684 175.900 0.008 0.000 1.185 544 Y CA 1.631 59.733 58.100 0.003 0.000 1.120 544 Y CB -0.645 37.811 38.460 -0.007 0.000 0.955 544 Y HN 0.094 nan 8.280 nan 0.000 0.495 545 R N 0.088 120.705 120.500 0.195 0.000 2.292 545 R HA -0.300 3.934 4.340 -0.177 0.000 0.216 545 R C 2.239 178.589 176.300 0.082 0.000 1.071 545 R CA 2.294 58.459 56.100 0.109 0.000 0.838 545 R CB -1.033 29.319 30.300 0.085 0.000 0.800 545 R HN 0.432 nan 8.270 nan 0.000 0.434 546 R N 0.986 121.525 120.500 0.064 0.000 2.224 546 R HA -0.276 3.958 4.340 -0.177 0.000 0.255 546 R C 2.388 178.714 176.300 0.044 0.000 1.130 546 R CA 2.323 58.450 56.100 0.044 0.000 0.957 546 R CB -1.345 28.976 30.300 0.036 0.000 0.907 546 R HN 0.266 nan 8.270 nan 0.000 0.446 547 L N 1.194 122.449 121.223 0.054 0.000 1.944 547 L HA -0.180 4.054 4.340 -0.177 0.000 0.218 547 L C 2.415 179.315 176.870 0.050 0.000 1.075 547 L CA 1.755 56.625 54.840 0.050 0.000 0.767 547 L CB -0.617 41.483 42.059 0.067 0.000 0.890 547 L HN 0.329 nan 8.230 nan 0.000 0.434 548 I N -0.111 120.498 120.570 0.066 0.000 2.074 548 I HA -0.482 3.582 4.170 -0.177 0.000 0.238 548 I C 2.257 178.393 176.117 0.031 0.000 1.037 548 I CA 2.271 63.598 61.300 0.046 0.000 1.301 548 I CB -0.935 37.091 38.000 0.043 0.000 1.016 548 I HN 0.521 nan 8.210 nan 0.000 0.400 549 N N 0.384 119.104 118.700 0.033 0.000 2.103 549 N HA -0.294 4.340 4.740 -0.177 0.000 0.200 549 N C 1.858 177.381 175.510 0.020 0.000 1.016 549 N CA 2.138 55.203 53.050 0.025 0.000 0.890 549 N CB -0.271 38.232 38.487 0.027 0.000 1.075 549 N HN 0.330 nan 8.380 nan 0.000 0.506 550 R N 0.408 120.920 120.500 0.021 0.000 2.122 550 R HA -0.195 4.039 4.340 -0.177 0.000 0.236 550 R C 2.079 178.387 176.300 0.014 0.000 1.129 550 R CA 1.759 57.869 56.100 0.016 0.000 0.925 550 R CB -0.804 29.505 30.300 0.015 0.000 0.850 550 R HN 0.314 nan 8.270 nan 0.000 0.431 551 N N 0.734 119.444 118.700 0.017 0.000 2.021 551 N HA -0.197 4.437 4.740 -0.177 0.000 0.198 551 N C 1.413 176.929 175.510 0.011 0.000 1.041 551 N CA 1.997 55.056 53.050 0.014 0.000 0.862 551 N CB -0.355 38.142 38.487 0.017 0.000 1.048 551 N HN 0.229 nan 8.380 nan 0.000 0.427 552 N N 0.385 119.092 118.700 0.010 0.000 2.149 552 N HA -0.178 4.456 4.740 -0.177 0.000 0.188 552 N C 1.771 177.286 175.510 0.009 0.000 1.019 552 N CA 0.703 53.757 53.050 0.008 0.000 0.857 552 N CB -0.436 38.055 38.487 0.007 0.000 0.997 552 N HN 0.412 nan 8.380 nan 0.000 0.426 553 R N 0.877 121.384 120.500 0.011 0.000 2.082 553 R HA -0.139 4.095 4.340 -0.177 0.000 0.234 553 R C 2.200 178.506 176.300 0.010 0.000 1.136 553 R CA 1.224 57.330 56.100 0.010 0.000 0.935 553 R CB -0.612 29.694 30.300 0.011 0.000 0.842 553 R HN 0.136 nan 8.270 nan 0.000 0.430 554 L N 1.866 123.095 121.223 0.010 0.000 2.011 554 L HA -0.311 3.923 4.340 -0.177 0.000 0.225 554 L C 1.869 178.745 176.870 0.009 0.000 1.084 554 L CA 2.237 57.083 54.840 0.009 0.000 0.791 554 L CB -0.675 41.389 42.059 0.009 0.000 0.898 554 L HN 0.201 nan 8.230 nan 0.000 0.440 555 K N -0.257 120.148 120.400 0.009 0.000 2.030 555 K HA -0.296 3.918 4.320 -0.177 0.000 0.222 555 K C 1.939 178.544 176.600 0.008 0.000 1.056 555 K CA 2.613 58.905 56.287 0.008 0.000 0.957 555 K CB -0.494 32.010 32.500 0.006 0.000 0.727 555 K HN 0.460 nan 8.250 nan 0.000 0.452 556 K N 0.985 121.390 120.400 0.008 0.000 2.015 556 K HA -0.207 4.008 4.320 -0.177 0.000 0.216 556 K C 2.259 178.865 176.600 0.011 0.000 1.052 556 K CA 2.019 58.312 56.287 0.009 0.000 0.937 556 K CB -0.671 31.834 32.500 0.009 0.000 0.719 556 K HN 0.084 nan 8.250 nan 0.000 0.446 557 L N 1.185 122.415 121.223 0.011 0.000 2.034 557 L HA -0.270 3.964 4.340 -0.177 0.000 0.217 557 L C 2.531 179.410 176.870 0.014 0.000 1.077 557 L CA 1.461 56.309 54.840 0.013 0.000 0.769 557 L CB -0.826 41.240 42.059 0.013 0.000 0.890 557 L HN 0.192 nan 8.230 nan 0.000 0.435 558 L N -0.457 120.774 121.223 0.013 0.000 2.005 558 L HA -0.147 4.087 4.340 -0.177 0.000 0.207 558 L C 2.862 179.739 176.870 0.013 0.000 1.072 558 L CA 1.115 55.963 54.840 0.013 0.000 0.744 558 L CB -0.893 41.173 42.059 0.011 0.000 0.895 558 L HN 0.255 nan 8.230 nan 0.000 0.433 559 A N -0.656 122.170 122.820 0.011 0.000 2.139 559 A HA -0.248 3.966 4.320 -0.177 0.000 0.221 559 A C 2.089 179.679 177.584 0.011 0.000 1.159 559 A CA 1.583 53.626 52.037 0.010 0.000 0.662 559 A CB -0.411 18.594 19.000 0.008 0.000 0.796 559 A HN 0.409 nan 8.150 nan 0.000 0.463 560 Q N -0.980 118.828 119.800 0.013 0.000 2.247 560 Q HA 0.329 4.563 4.340 -0.177 0.000 0.204 560 Q C 0.889 176.900 176.000 0.018 0.000 0.872 560 Q CA 0.533 56.345 55.803 0.015 0.000 0.951 560 Q CB -0.377 28.370 28.738 0.015 0.000 1.099 560 Q HN 0.711 nan 8.270 nan 0.000 0.501 561 G N 0.805 109.616 108.800 0.018 0.000 2.396 561 G HA2 -0.191 3.663 3.960 -0.177 0.000 0.288 561 G HA3 -0.191 3.663 3.960 -0.177 0.000 0.288 561 G C 0.106 175.022 174.900 0.026 0.000 0.926 561 G CA 0.401 45.514 45.100 0.022 0.000 1.211 561 G HN 0.566 nan 8.290 nan 0.000 0.496 562 A N 1.038 123.874 122.820 0.026 0.000 2.264 562 A HA 0.833 5.047 4.320 -0.177 0.000 0.304 562 A C -1.606 175.999 177.584 0.035 0.000 1.100 562 A CA -1.542 50.512 52.037 0.029 0.000 0.839 562 A CB 0.666 19.680 19.000 0.023 0.000 1.121 562 A HN 0.252 nan 8.150 nan 0.000 0.496 563 P HA 0.066 nan 4.420 nan 0.000 0.256 563 P C 0.358 177.684 177.300 0.043 0.000 1.189 563 P CA 0.492 63.620 63.100 0.047 0.000 0.808 563 P CB 0.383 32.108 31.700 0.042 0.000 0.793 564 E N 4.808 125.038 120.200 0.051 0.000 2.370 564 E HA -0.257 3.987 4.350 -0.177 0.000 0.205 564 E C 1.358 177.977 176.600 0.031 0.000 1.037 564 E CA 1.298 57.723 56.400 0.042 0.000 0.845 564 E CB -1.121 28.612 29.700 0.054 0.000 0.753 564 E HN 0.567 nan 8.360 nan 0.000 0.507 565 I N 1.161 121.753 120.570 0.036 0.000 2.054 565 I HA -0.284 3.780 4.170 -0.177 0.000 0.231 565 I C 2.464 178.591 176.117 0.015 0.000 1.052 565 I CA 2.087 63.403 61.300 0.026 0.000 1.320 565 I CB -0.330 37.688 38.000 0.029 0.000 1.063 565 I HN 0.275 nan 8.210 nan 0.000 0.393 566 I N 0.588 121.168 120.570 0.016 0.000 2.236 566 I HA -0.328 3.737 4.170 -0.177 0.000 0.249 566 I C 2.524 178.646 176.117 0.009 0.000 1.102 566 I CA 1.567 62.874 61.300 0.011 0.000 1.365 566 I CB -1.190 36.819 38.000 0.014 0.000 1.051 566 I HN 0.315 nan 8.210 nan 0.000 0.420 567 I N 1.467 122.045 120.570 0.013 0.000 2.039 567 I HA -0.304 3.761 4.170 -0.177 0.000 0.233 567 I C 2.864 178.984 176.117 0.005 0.000 1.040 567 I CA 1.928 63.235 61.300 0.011 0.000 1.308 567 I CB -1.393 36.617 38.000 0.017 0.000 1.035 567 I HN 0.355 nan 8.210 nan 0.000 0.392 568 R N 2.289 122.791 120.500 0.003 0.000 2.154 568 R HA -0.294 3.940 4.340 -0.177 0.000 0.236 568 R C 2.025 178.317 176.300 -0.013 0.000 1.121 568 R CA 2.695 58.791 56.100 -0.006 0.000 0.915 568 R CB -1.549 28.744 30.300 -0.010 0.000 0.856 568 R HN 0.567 nan 8.270 nan 0.000 0.431 569 N N -0.086 118.608 118.700 -0.011 0.000 2.073 569 N HA -0.304 4.330 4.740 -0.177 0.000 0.199 569 N C 1.595 177.097 175.510 -0.014 0.000 1.023 569 N CA 2.355 55.396 53.050 -0.014 0.000 0.880 569 N CB -0.621 37.862 38.487 -0.006 0.000 1.052 569 N HN 0.522 nan 8.380 nan 0.000 0.449 570 E N 0.502 120.698 120.200 -0.007 0.000 2.021 570 E HA -0.210 4.034 4.350 -0.177 0.000 0.200 570 E C 1.720 178.313 176.600 -0.012 0.000 1.015 570 E CA 1.852 58.249 56.400 -0.005 0.000 0.824 570 E CB -0.391 29.309 29.700 0.001 0.000 0.762 570 E HN 0.543 nan 8.360 nan 0.000 0.454 571 K N 0.231 120.625 120.400 -0.011 0.000 2.071 571 K HA -0.316 3.898 4.320 -0.177 0.000 0.217 571 K C 2.405 178.976 176.600 -0.048 0.000 1.054 571 K CA 2.037 58.315 56.287 -0.015 0.000 0.937 571 K CB -0.451 32.047 32.500 -0.003 0.000 0.719 571 K HN 0.122 nan 8.250 nan 0.000 0.454 572 R N 1.128 121.590 120.500 -0.063 0.000 2.196 572 R HA -0.271 3.963 4.340 -0.177 0.000 0.234 572 R C 2.356 178.606 176.300 -0.084 0.000 1.113 572 R CA 2.759 58.799 56.100 -0.101 0.000 0.899 572 R CB -0.420 29.845 30.300 -0.058 0.000 0.863 572 R HN 0.192 nan 8.270 nan 0.000 0.430 573 M N 0.347 119.925 119.600 -0.037 0.000 2.113 573 M HA -0.253 4.121 4.480 -0.177 0.000 0.255 573 M C 2.420 178.708 176.300 -0.021 0.000 1.073 573 M CA 1.872 57.162 55.300 -0.016 0.000 1.091 573 M CB -0.782 31.814 32.600 -0.006 0.000 1.309 573 M HN 0.347 nan 8.290 nan 0.000 0.407 574 L N 0.991 122.200 121.223 -0.024 0.000 1.963 574 L HA -0.292 3.942 4.340 -0.177 0.000 0.220 574 L C 2.625 179.476 176.870 -0.033 0.000 1.076 574 L CA 2.562 57.392 54.840 -0.016 0.000 0.772 574 L CB -1.064 40.990 42.059 -0.008 0.000 0.892 574 L HN 0.388 nan 8.230 nan 0.000 0.435 575 Q N 0.204 119.956 119.800 -0.079 0.000 2.082 575 Q HA -0.332 3.902 4.340 -0.177 0.000 0.211 575 Q C 2.130 178.060 176.000 -0.117 0.000 1.002 575 Q CA 2.610 58.325 55.803 -0.148 0.000 0.868 575 Q CB -0.719 27.747 28.738 -0.454 0.000 0.931 575 Q HN 0.710 nan 8.270 nan 0.000 0.414 576 E N -0.748 119.408 120.200 -0.072 0.000 2.026 576 E HA -0.277 3.967 4.350 -0.177 0.000 0.206 576 E C 1.866 178.489 176.600 0.039 0.000 1.028 576 E CA 1.737 58.170 56.400 0.055 0.000 0.845 576 E CB -0.601 29.138 29.700 0.065 0.000 0.772 576 E HN 0.491 nan 8.360 nan 0.000 0.462 577 A N 0.413 123.242 122.820 0.015 0.000 1.940 577 A HA -0.261 3.953 4.320 -0.177 0.000 0.221 577 A C 2.401 179.983 177.584 -0.004 0.000 1.190 577 A CA 2.062 54.105 52.037 0.009 0.000 0.647 577 A CB -1.089 17.916 19.000 0.009 0.000 0.821 577 A HN 0.257 nan 8.150 nan 0.000 0.457 578 V N 1.009 120.919 119.914 -0.007 0.000 2.215 578 V HA -0.343 3.671 4.120 -0.177 0.000 0.246 578 V C 2.303 178.381 176.094 -0.027 0.000 1.047 578 V CA 2.451 64.739 62.300 -0.019 0.000 0.999 578 V CB -1.003 30.817 31.823 -0.006 0.000 0.635 578 V HN 0.636 nan 8.190 nan 0.000 0.450 579 D N 0.592 121.005 120.400 0.022 0.000 2.116 579 D HA -0.202 4.332 4.640 -0.177 0.000 0.193 579 D C 2.205 178.533 176.300 0.047 0.000 0.998 579 D CA 1.733 55.771 54.000 0.064 0.000 0.836 579 D CB -0.678 40.237 40.800 0.192 0.000 0.951 579 D HN 0.463 nan 8.370 nan 0.000 0.449 580 A N 1.072 123.921 122.820 0.049 0.000 1.929 580 A HA -0.246 3.968 4.320 -0.177 0.000 0.221 580 A C 2.182 179.760 177.584 -0.010 0.000 1.211 580 A CA 1.863 53.918 52.037 0.029 0.000 0.657 580 A CB -0.920 18.093 19.000 0.021 0.000 0.827 580 A HN 0.275 nan 8.150 nan 0.000 0.462 581 L N -0.531 120.658 121.223 -0.056 0.000 1.950 581 L HA -0.063 4.171 4.340 -0.177 0.000 0.210 581 L C 2.388 179.188 176.870 -0.117 0.000 1.079 581 L CA 1.895 56.656 54.840 -0.132 0.000 0.754 581 L CB -0.693 41.233 42.059 -0.221 0.000 0.889 581 L HN 0.453 nan 8.230 nan 0.000 0.433 582 L N -0.698 120.442 121.223 -0.138 0.000 2.017 582 L HA -0.266 3.968 4.340 -0.177 0.000 0.234 582 L C 0.383 177.260 176.870 0.011 0.000 1.097 582 L CA 1.988 56.736 54.840 -0.154 0.000 0.816 582 L CB -0.616 41.272 42.059 -0.286 0.000 0.914 582 L HN 0.490 nan 8.230 nan 0.000 0.444 583 D N -1.227 119.235 120.400 0.102 0.000 2.386 583 D HA 0.180 4.714 4.640 -0.177 0.000 0.247 583 D C -0.776 175.599 176.300 0.126 0.000 1.336 583 D CA -0.451 53.663 54.000 0.191 0.000 0.976 583 D CB 0.536 41.566 40.800 0.384 0.000 1.257 583 D HN -0.060 nan 8.370 nan 0.000 0.570 584 N N 2.268 121.016 118.700 0.079 0.000 2.518 584 N HA 0.441 5.075 4.740 -0.177 0.000 0.266 584 N C 1.332 176.876 175.510 0.056 0.000 1.196 584 N CA 1.591 54.675 53.050 0.056 0.000 0.947 584 N CB 1.083 39.590 38.487 0.032 0.000 1.098 584 N HN 0.709 nan 8.380 nan 0.000 0.450 585 G N 3.011 111.838 108.800 0.046 0.000 2.234 585 G HA2 -0.247 3.607 3.960 -0.177 0.000 0.235 585 G HA3 -0.247 3.607 3.960 -0.177 0.000 0.235 585 G C 1.149 176.066 174.900 0.030 0.000 0.997 585 G CA 0.054 45.172 45.100 0.031 0.000 0.623 585 G HN 0.572 nan 8.290 nan 0.000 0.514 586 R N 0.631 121.164 120.500 0.055 0.000 2.377 586 R HA 0.075 4.309 4.340 -0.177 0.000 0.207 586 R C 1.054 177.362 176.300 0.012 0.000 1.075 586 R CA 1.211 57.342 56.100 0.052 0.000 1.035 586 R CB -0.349 30.017 30.300 0.111 0.000 0.857 586 R HN 0.626 nan 8.270 nan 0.000 0.475 587 R N -1.004 119.491 120.500 -0.008 0.000 3.179 587 R HA 0.148 4.382 4.340 -0.177 0.000 0.288 587 R C -1.109 175.159 176.300 -0.053 0.000 1.263 587 R CA 0.481 56.534 56.100 -0.078 0.000 1.013 587 R CB 0.109 30.299 30.300 -0.184 0.000 1.379 587 R HN 0.238 nan 8.270 nan 0.000 0.367 588 G N 1.666 110.439 108.800 -0.045 0.000 2.757 588 G HA2 0.139 3.993 3.960 -0.177 0.000 0.686 588 G HA3 0.139 3.993 3.960 -0.177 0.000 0.686 588 G C -0.837 174.059 174.900 -0.005 0.000 1.452 588 G CA -0.315 44.768 45.100 -0.027 0.000 0.922 588 G HN 0.949 nan 8.290 nan 0.000 0.588 589 A N 2.957 125.777 122.820 -0.001 0.000 2.375 589 A HA 0.910 5.124 4.320 -0.177 0.000 0.295 589 A C -1.827 175.762 177.584 0.008 0.000 1.066 589 A CA -0.729 51.312 52.037 0.007 0.000 0.722 589 A CB 1.997 21.001 19.000 0.006 0.000 1.206 589 A HN 1.074 nan 8.150 nan 0.000 0.435 590 P HA 0.637 nan 4.420 nan 0.000 0.292 590 P C -0.546 176.761 177.300 0.011 0.000 1.283 590 P CA -0.307 62.800 63.100 0.012 0.000 0.835 590 P CB 1.685 33.393 31.700 0.014 0.000 1.017 591 V N -1.258 118.662 119.914 0.010 0.000 3.141 591 V HA 0.592 4.606 4.120 -0.177 0.000 0.312 591 V C 0.214 176.315 176.094 0.012 0.000 1.157 591 V CA -0.986 61.320 62.300 0.010 0.000 1.041 591 V CB 0.913 32.741 31.823 0.008 0.000 1.071 591 V HN 0.695 nan 8.190 nan 0.000 0.441 592 T N 0.270 114.832 114.554 0.013 0.000 2.542 592 T HA -0.108 4.136 4.350 -0.177 0.000 0.246 592 T C 1.123 175.830 174.700 0.012 0.000 1.052 592 T CA 1.032 63.140 62.100 0.014 0.000 1.251 592 T CB -0.903 67.974 68.868 0.014 0.000 1.031 592 T HN 0.979 nan 8.240 nan 0.000 0.498 593 N N 3.902 122.610 118.700 0.013 0.000 2.165 593 N HA -0.116 4.518 4.740 -0.177 0.000 0.198 593 N C -1.016 174.499 175.510 0.008 0.000 0.999 593 N CA 1.518 54.574 53.050 0.010 0.000 0.893 593 N CB -0.794 37.700 38.487 0.011 0.000 1.025 593 N HN 0.687 nan 8.380 nan 0.000 0.456 594 P HA 0.395 nan 4.420 nan 0.000 0.292 594 P C 0.295 177.599 177.300 0.007 0.000 1.313 594 P CA 0.007 63.111 63.100 0.007 0.000 0.965 594 P CB 1.936 33.639 31.700 0.006 0.000 1.303 595 G N 1.381 110.183 108.800 0.005 0.000 2.578 595 G HA2 -0.246 3.609 3.960 -0.177 0.000 0.275 595 G HA3 -0.246 3.609 3.960 -0.177 0.000 0.275 595 G C -0.040 174.863 174.900 0.004 0.000 1.271 595 G CA 0.159 45.262 45.100 0.004 0.000 0.941 595 G HN 1.107 nan 8.290 nan 0.000 0.564 596 S N 1.043 116.746 115.700 0.005 0.000 3.480 596 S HA 0.139 4.503 4.470 -0.177 0.000 0.411 596 S C 0.947 175.550 174.600 0.005 0.000 1.164 596 S CA 1.082 59.285 58.200 0.004 0.000 1.084 596 S CB 0.325 63.528 63.200 0.005 0.000 0.759 596 S HN 1.310 nan 8.310 nan 0.000 0.515 597 D N 2.617 123.020 120.400 0.004 0.000 2.636 597 D HA -0.063 4.471 4.640 -0.177 0.000 0.256 597 D C 0.736 177.039 176.300 0.005 0.000 1.280 597 D CA -0.257 53.746 54.000 0.004 0.000 0.910 597 D CB -0.459 40.343 40.800 0.003 0.000 1.045 597 D HN 0.852 nan 8.370 nan 0.000 0.472 598 R N 0.163 120.667 120.500 0.006 0.000 2.441 598 R HA 0.382 4.616 4.340 -0.177 0.000 0.284 598 R C -2.551 173.754 176.300 0.008 0.000 1.070 598 R CA -1.415 54.689 56.100 0.007 0.000 1.047 598 R CB 0.498 30.802 30.300 0.007 0.000 1.016 598 R HN -0.107 nan 8.270 nan 0.000 0.477 599 P HA 0.030 nan 4.420 nan 0.000 0.272 599 P C -0.557 176.751 177.300 0.012 0.000 1.230 599 P CA -0.244 62.862 63.100 0.011 0.000 0.788 599 P CB 0.786 32.492 31.700 0.011 0.000 0.949 600 L N 2.601 123.832 121.223 0.013 0.000 2.276 600 L HA 0.287 4.521 4.340 -0.177 0.000 0.286 600 L C 1.365 178.242 176.870 0.012 0.000 1.061 600 L CA -0.808 54.040 54.840 0.013 0.000 0.807 600 L CB 0.395 42.461 42.059 0.012 0.000 1.177 600 L HN 0.295 nan 8.230 nan 0.000 0.429 601 R N 2.535 123.043 120.500 0.013 0.000 2.507 601 R HA 0.005 4.239 4.340 -0.177 0.000 0.341 601 R C 0.416 176.722 176.300 0.009 0.000 0.960 601 R CA 0.040 56.149 56.100 0.014 0.000 1.032 601 R CB 0.189 30.498 30.300 0.014 0.000 0.933 601 R HN 0.726 nan 8.270 nan 0.000 0.418 602 S N 2.432 118.141 115.700 0.014 0.000 2.681 602 S HA 0.209 4.573 4.470 -0.177 0.000 0.270 602 S C 1.829 176.440 174.600 0.018 0.000 1.209 602 S CA -0.788 57.413 58.200 0.003 0.000 0.988 602 S CB 0.908 64.120 63.200 0.021 0.000 1.006 602 S HN 0.543 nan 8.310 nan 0.000 0.558 603 L N 0.950 122.172 121.223 -0.001 0.000 1.957 603 L HA -0.206 4.028 4.340 -0.177 0.000 0.228 603 L C 2.983 179.915 176.870 0.104 0.000 1.086 603 L CA 2.405 57.259 54.840 0.023 0.000 0.796 603 L CB -1.708 40.337 42.059 -0.023 0.000 0.900 603 L HN 0.874 nan 8.230 nan 0.000 0.439 604 T N -0.788 113.882 114.554 0.193 0.000 2.592 604 T HA -0.274 3.970 4.350 -0.177 0.000 0.267 604 T C 1.364 176.163 174.700 0.165 0.000 1.060 604 T CA 1.875 64.159 62.100 0.306 0.000 1.167 604 T CB -0.780 68.344 68.868 0.426 0.000 0.863 604 T HN 0.366 nan 8.240 nan 0.000 0.431 605 D N 1.336 121.802 120.400 0.111 0.000 2.177 605 D HA -0.112 4.422 4.640 -0.177 0.000 0.189 605 D C 2.053 178.371 176.300 0.030 0.000 1.002 605 D CA 1.132 55.165 54.000 0.055 0.000 0.845 605 D CB -0.742 40.082 40.800 0.041 0.000 0.960 605 D HN 0.385 nan 8.370 nan 0.000 0.447 606 I N -0.060 120.532 120.570 0.035 0.000 2.151 606 I HA -0.257 3.807 4.170 -0.177 0.000 0.243 606 I C 2.178 178.309 176.117 0.022 0.000 1.080 606 I CA 0.473 61.787 61.300 0.023 0.000 1.339 606 I CB -0.330 37.689 38.000 0.031 0.000 1.039 606 I HN 0.039 nan 8.210 nan 0.000 0.409 607 L N 1.143 122.404 121.223 0.063 0.000 1.924 607 L HA -0.282 3.952 4.340 -0.177 0.000 0.234 607 L C 2.571 179.464 176.870 0.039 0.000 1.090 607 L CA 2.638 57.533 54.840 0.092 0.000 0.816 607 L CB -1.006 41.162 42.059 0.181 0.000 0.901 607 L HN 0.387 nan 8.230 nan 0.000 0.433 608 S N -0.583 115.155 115.700 0.064 0.000 2.607 608 S HA 0.159 4.523 4.470 -0.177 0.000 0.224 608 S C 1.409 175.741 174.600 -0.447 0.000 0.969 608 S CA 0.305 58.455 58.200 -0.084 0.000 0.927 608 S CB -1.269 62.105 63.200 0.290 0.000 0.772 608 S HN 1.163 nan 8.310 nan 0.000 0.533 609 G N 1.980 110.655 108.800 -0.208 0.000 2.379 609 G HA2 -0.390 3.464 3.960 -0.177 0.000 0.297 609 G HA3 -0.390 3.464 3.960 -0.177 0.000 0.297 609 G C 0.694 175.473 174.900 -0.200 0.000 1.004 609 G CA 0.710 45.691 45.100 -0.198 0.000 0.921 609 G HN 0.552 nan 8.290 nan 0.000 0.511 610 K N 0.632 120.969 120.400 -0.105 0.000 2.286 610 K HA -0.176 4.038 4.320 -0.177 0.000 0.203 610 K C 2.193 178.792 176.600 -0.002 0.000 1.045 610 K CA 1.895 58.178 56.287 -0.008 0.000 0.935 610 K CB -0.173 32.360 32.500 0.056 0.000 0.737 610 K HN 0.797 nan 8.250 nan 0.000 0.460 611 Q N -0.895 118.894 119.800 -0.018 0.000 3.151 611 Q HA 0.142 4.376 4.340 -0.177 0.000 0.277 611 Q C 0.350 176.343 176.000 -0.012 0.000 1.343 611 Q CA 0.456 56.255 55.803 -0.007 0.000 0.925 611 Q CB -0.189 28.546 28.738 -0.006 0.000 1.771 611 Q HN 0.269 nan 8.270 nan 0.000 0.514 612 G N 1.222 110.022 108.800 -0.000 0.000 4.449 612 G HA2 -0.044 3.810 3.960 -0.177 0.000 0.195 612 G HA3 -0.044 3.810 3.960 -0.177 0.000 0.195 612 G C 0.282 175.210 174.900 0.046 0.000 0.806 612 G CA -0.231 44.874 45.100 0.008 0.000 0.774 612 G HN 0.414 nan 8.290 nan 0.000 0.508 613 R N -1.080 119.462 120.500 0.069 0.000 3.919 613 R HA -0.227 4.008 4.340 -0.177 0.000 0.412 613 R C 0.629 177.065 176.300 0.228 0.000 1.102 613 R CA 0.935 57.104 56.100 0.116 0.000 1.082 613 R CB -2.290 28.063 30.300 0.088 0.000 1.671 613 R HN 1.021 nan 8.270 nan 0.000 0.540 614 F N -0.074 119.901 119.950 0.043 0.000 3.048 614 F HA -0.367 4.054 4.527 -0.177 0.000 0.269 614 F C 1.202 177.045 175.800 0.072 0.000 0.960 614 F CA 1.570 59.604 58.000 0.058 0.000 0.909 614 F CB -0.350 38.688 39.000 0.063 0.000 0.837 614 F HN 0.549 nan 8.300 nan 0.000 0.768 615 R N -0.122 120.546 120.500 0.280 0.000 2.412 615 R HA 0.135 4.369 4.340 -0.177 0.000 0.212 615 R C 1.223 177.616 176.300 0.155 0.000 0.878 615 R CA 0.517 56.737 56.100 0.199 0.000 1.022 615 R CB -0.230 30.158 30.300 0.147 0.000 1.265 615 R HN 0.559 nan 8.270 nan 0.000 0.620 616 Q N 0.471 120.341 119.800 0.117 0.000 2.171 616 Q HA 0.274 4.508 4.340 -0.177 0.000 0.218 616 Q C -0.325 175.702 176.000 0.044 0.000 0.822 616 Q CA -0.662 55.182 55.803 0.070 0.000 0.987 616 Q CB 0.217 28.979 28.738 0.040 0.000 1.144 616 Q HN 0.102 nan 8.270 nan 0.000 0.494 617 N N 2.187 120.913 118.700 0.044 0.000 2.121 617 N HA -0.102 4.532 4.740 -0.177 0.000 0.260 617 N C 0.075 175.581 175.510 -0.008 0.000 1.229 617 N CA 0.595 53.610 53.050 -0.058 0.000 0.830 617 N CB 0.549 38.959 38.487 -0.128 0.000 1.073 617 N HN 0.381 nan 8.380 nan 0.000 0.465 618 L N 3.115 124.313 121.223 -0.040 0.000 2.697 618 L HA 0.181 4.415 4.340 -0.177 0.000 0.239 618 L C 0.167 177.046 176.870 0.014 0.000 1.430 618 L CA 0.034 54.868 54.840 -0.009 0.000 1.193 618 L CB -0.809 41.238 42.059 -0.020 0.000 1.516 618 L HN 0.157 nan 8.230 nan 0.000 0.439 619 L N 2.303 123.552 121.223 0.043 0.000 2.315 619 L HA 0.742 4.976 4.340 -0.177 0.000 0.283 619 L C 0.775 177.675 176.870 0.049 0.000 1.089 619 L CA -0.012 54.866 54.840 0.064 0.000 0.833 619 L CB 0.589 42.711 42.059 0.104 0.000 1.170 619 L HN 0.580 nan 8.230 nan 0.000 0.442 620 G N 3.137 111.963 108.800 0.043 0.000 2.358 620 G HA2 0.203 4.057 3.960 -0.177 0.000 0.303 620 G HA3 0.203 4.057 3.960 -0.177 0.000 0.303 620 G C -1.750 173.170 174.900 0.033 0.000 1.537 620 G CA -0.871 44.251 45.100 0.036 0.000 0.928 620 G HN 0.396 nan 8.290 nan 0.000 0.656 621 K N -0.201 120.217 120.400 0.031 0.000 2.433 621 K HA 0.648 4.862 4.320 -0.177 0.000 0.252 621 K C -0.429 176.196 176.600 0.042 0.000 1.015 621 K CA -1.046 55.262 56.287 0.034 0.000 0.860 621 K CB 2.466 34.985 32.500 0.032 0.000 1.359 621 K HN 0.458 nan 8.250 nan 0.000 0.452 622 R N 1.009 121.538 120.500 0.048 0.000 2.393 622 R HA 0.399 4.633 4.340 -0.177 0.000 0.310 622 R C -0.498 175.847 176.300 0.076 0.000 0.968 622 R CA -0.758 55.379 56.100 0.062 0.000 0.867 622 R CB 1.503 31.835 30.300 0.053 0.000 1.124 622 R HN 0.226 nan 8.270 nan 0.000 0.450 623 V N 2.221 122.200 119.914 0.107 0.000 2.863 623 V HA 0.008 4.022 4.120 -0.177 0.000 0.307 623 V C 0.932 177.113 176.094 0.146 0.000 1.061 623 V CA -0.118 62.265 62.300 0.139 0.000 1.024 623 V CB 1.628 33.566 31.823 0.191 0.000 1.049 623 V HN 0.776 nan 8.190 nan 0.000 0.471 624 D N 0.839 121.350 120.400 0.185 0.000 2.149 624 D HA -0.036 4.498 4.640 -0.177 0.000 0.206 624 D C 0.364 176.692 176.300 0.048 0.000 0.967 624 D CA 1.473 55.545 54.000 0.119 0.000 0.848 624 D CB 0.169 41.073 40.800 0.172 0.000 0.998 624 D HN 0.611 nan 8.370 nan 0.000 0.474 625 Y N 1.199 121.545 120.300 0.076 0.000 2.832 625 Y HA 0.231 4.675 4.550 -0.177 0.000 0.372 625 Y C 0.530 176.472 175.900 0.070 0.000 1.238 625 Y CA -0.708 57.425 58.100 0.056 0.000 1.713 625 Y CB -0.176 38.288 38.460 0.007 0.000 1.809 625 Y HN -0.191 nan 8.280 nan 0.000 0.472 626 S N -0.936 114.856 115.700 0.153 0.000 2.739 626 S HA 1.000 5.364 4.470 -0.177 0.000 0.306 626 S C 0.100 174.681 174.600 -0.033 0.000 1.115 626 S CA -0.520 57.701 58.200 0.035 0.000 0.985 626 S CB 2.532 65.806 63.200 0.122 0.000 1.133 626 S HN 0.504 nan 8.310 nan 0.000 0.541 627 G N -0.306 108.418 108.800 -0.127 0.000 2.547 627 G HA2 0.600 4.454 3.960 -0.177 0.000 0.291 627 G HA3 0.600 4.454 3.960 -0.177 0.000 0.291 627 G C -1.907 172.932 174.900 -0.101 0.000 1.471 627 G CA -0.920 44.136 45.100 -0.073 0.000 0.798 627 G HN 0.796 nan 8.290 nan 0.000 0.504 628 R N -0.553 119.911 120.500 -0.059 0.000 2.707 628 R HA 0.792 5.026 4.340 -0.177 0.000 0.272 628 R C -1.404 174.870 176.300 -0.042 0.000 1.011 628 R CA -0.388 55.680 56.100 -0.055 0.000 0.893 628 R CB 2.045 32.325 30.300 -0.035 0.000 1.233 628 R HN 1.039 nan 8.270 nan 0.000 0.464 629 S N 1.376 117.048 115.700 -0.047 0.000 2.636 629 S HA 0.385 4.749 4.470 -0.177 0.000 0.266 629 S C -1.467 173.107 174.600 -0.043 0.000 1.147 629 S CA -0.574 57.602 58.200 -0.041 0.000 0.815 629 S CB 1.608 64.782 63.200 -0.044 0.000 1.119 629 S HN 0.283 nan 8.310 nan 0.000 0.470 630 V N 3.173 123.068 119.914 -0.032 0.000 2.834 630 V HA 0.464 4.478 4.120 -0.177 0.000 0.301 630 V C 0.444 176.529 176.094 -0.016 0.000 1.066 630 V CA -0.395 61.891 62.300 -0.023 0.000 1.052 630 V CB 0.988 32.806 31.823 -0.009 0.000 1.021 630 V HN 0.711 nan 8.190 nan 0.000 0.480 631 I N 1.666 122.240 120.570 0.007 0.000 2.577 631 I HA 0.861 4.925 4.170 -0.177 0.000 0.305 631 I C -0.731 175.537 176.117 0.251 0.000 0.986 631 I CA -0.543 60.796 61.300 0.064 0.000 1.189 631 I CB 1.813 39.812 38.000 -0.002 0.000 1.355 631 I HN 0.292 nan 8.210 nan 0.000 0.476 632 V N 4.262 124.309 119.914 0.223 0.000 3.130 632 V HA 0.390 4.404 4.120 -0.177 0.000 0.310 632 V C -0.405 175.581 176.094 -0.181 0.000 1.158 632 V CA -0.914 61.403 62.300 0.027 0.000 1.029 632 V CB 2.102 33.870 31.823 -0.092 0.000 1.057 632 V HN 0.662 nan 8.190 nan 0.000 0.436 633 V N 1.336 120.782 119.914 -0.779 0.000 2.465 633 V HA 0.776 4.790 4.120 -0.177 0.000 0.279 633 V C 0.665 176.574 176.094 -0.308 0.000 1.045 633 V CA 0.501 62.434 62.300 -0.613 0.000 0.938 633 V CB 1.205 32.488 31.823 -0.899 0.000 0.986 633 V HN 1.101 nan 8.190 nan 0.000 0.467 634 G N 6.940 115.619 108.800 -0.201 0.000 3.818 634 G HA2 0.434 4.288 3.960 -0.177 0.000 0.338 634 G HA3 0.434 4.288 3.960 -0.177 0.000 0.338 634 G C -1.868 172.907 174.900 -0.208 0.000 1.318 634 G CA -1.040 43.946 45.100 -0.191 0.000 1.242 634 G HN 0.707 nan 8.290 nan 0.000 0.493 635 P HA -0.164 nan 4.420 nan 0.000 0.220 635 P C 1.855 179.077 177.300 -0.130 0.000 1.144 635 P CA 0.908 63.979 63.100 -0.047 0.000 0.800 635 P CB 0.440 32.170 31.700 0.049 0.000 0.772 636 Q N -0.729 118.982 119.800 -0.148 0.000 2.096 636 Q HA 0.031 4.265 4.340 -0.177 0.000 0.197 636 Q C 1.112 177.024 176.000 -0.146 0.000 0.964 636 Q CA 0.531 56.248 55.803 -0.144 0.000 0.838 636 Q CB -0.971 27.692 28.738 -0.126 0.000 0.906 636 Q HN 0.331 nan 8.270 nan 0.000 0.444 637 L N 1.752 122.875 121.223 -0.167 0.000 2.558 637 L HA -0.106 4.128 4.340 -0.177 0.000 0.301 637 L C 0.571 177.407 176.870 -0.058 0.000 1.267 637 L CA 0.744 55.510 54.840 -0.123 0.000 0.854 637 L CB -0.133 41.852 42.059 -0.123 0.000 1.103 637 L HN -0.061 nan 8.230 nan 0.000 0.522 638 K N 1.333 121.751 120.400 0.029 0.000 2.207 638 K HA 0.190 4.404 4.320 -0.177 0.000 0.255 638 K C 0.610 177.301 176.600 0.152 0.000 0.941 638 K CA -0.945 55.400 56.287 0.098 0.000 0.825 638 K CB 2.006 34.460 32.500 -0.078 0.000 1.119 638 K HN 0.320 nan 8.250 nan 0.000 0.430 639 L N 3.506 124.776 121.223 0.079 0.000 2.143 639 L HA -0.319 3.915 4.340 -0.177 0.000 0.231 639 L C 1.935 178.818 176.870 0.021 0.000 1.106 639 L CA 2.496 57.136 54.840 -0.332 0.000 0.827 639 L CB -0.972 40.997 42.059 -0.151 0.000 0.915 639 L HN 0.906 nan 8.230 nan 0.000 0.448 640 H N -2.340 116.795 119.070 0.108 0.000 2.543 640 H HA 0.348 4.798 4.556 -0.177 0.000 0.269 640 H C 0.608 176.122 175.328 0.310 0.000 1.005 640 H CA -0.151 55.963 56.048 0.110 0.000 1.146 640 H CB -0.350 29.398 29.762 -0.023 0.000 1.353 640 H HN 0.589 nan 8.280 nan 0.000 0.595 641 Q N 0.399 120.207 119.800 0.013 0.000 2.333 641 Q HA 0.616 4.850 4.340 -0.177 0.000 0.266 641 Q C -0.876 175.153 176.000 0.049 0.000 1.053 641 Q CA -0.969 54.861 55.803 0.045 0.000 0.890 641 Q CB 2.567 31.220 28.738 -0.143 0.000 1.337 641 Q HN 0.518 nan 8.270 nan 0.000 0.474 642 C N -2.273 116.980 119.300 -0.079 0.000 3.146 642 C HA 0.706 5.060 4.460 -0.177 0.000 0.405 642 C C 0.255 175.150 174.990 -0.158 0.000 1.012 642 C CA -1.019 57.849 59.018 -0.250 0.000 1.217 642 C CB 0.186 27.579 27.740 -0.577 0.000 1.599 642 C HN 0.962 nan 8.230 nan 0.000 0.567 643 G N 1.803 110.508 108.800 -0.158 0.000 2.441 643 G HA2 0.524 4.378 3.960 -0.177 0.000 0.243 643 G HA3 0.524 4.378 3.960 -0.177 0.000 0.243 643 G C -1.085 173.742 174.900 -0.122 0.000 1.281 643 G CA -0.097 44.926 45.100 -0.128 0.000 0.854 643 G HN 1.517 nan 8.290 nan 0.000 0.560 644 L N 3.817 124.975 121.223 -0.109 0.000 2.482 644 L HA 0.500 4.734 4.340 -0.177 0.000 0.269 644 L C -2.521 174.288 176.870 -0.102 0.000 0.967 644 L CA -2.449 52.331 54.840 -0.101 0.000 0.851 644 L CB 2.394 44.396 42.059 -0.095 0.000 1.242 644 L HN 0.226 nan 8.230 nan 0.000 0.404 645 P HA 0.071 nan 4.420 nan 0.000 0.258 645 P C 0.116 177.363 177.300 -0.088 0.000 1.187 645 P CA 0.296 63.339 63.100 -0.095 0.000 0.767 645 P CB 0.442 32.099 31.700 -0.072 0.000 0.770 646 K N 3.254 123.577 120.400 -0.129 0.000 2.000 646 K HA -0.289 3.925 4.320 -0.177 0.000 0.218 646 K C 1.957 178.584 176.600 0.044 0.000 1.053 646 K CA 1.707 57.940 56.287 -0.091 0.000 0.946 646 K CB -0.338 31.968 32.500 -0.323 0.000 0.723 646 K HN 0.200 nan 8.250 nan 0.000 0.446 647 R N 1.169 121.679 120.500 0.016 0.000 2.191 647 R HA -0.223 4.011 4.340 -0.177 0.000 0.248 647 R C 2.254 178.612 176.300 0.097 0.000 1.127 647 R CA 2.325 58.497 56.100 0.121 0.000 0.943 647 R CB -0.687 29.637 30.300 0.041 0.000 0.891 647 R HN 0.366 nan 8.270 nan 0.000 0.439 648 M N -0.931 118.690 119.600 0.035 0.000 2.065 648 M HA -0.182 4.192 4.480 -0.177 0.000 0.259 648 M C 2.035 178.362 176.300 0.045 0.000 1.069 648 M CA 2.346 57.664 55.300 0.030 0.000 1.110 648 M CB -0.333 32.266 32.600 -0.002 0.000 1.328 648 M HN 0.279 nan 8.290 nan 0.000 0.405 649 A N 0.916 123.736 122.820 0.000 0.000 1.881 649 A HA -0.286 3.928 4.320 -0.177 0.000 0.219 649 A C 2.060 179.639 177.584 -0.008 0.000 1.215 649 A CA 2.258 54.246 52.037 -0.081 0.000 0.648 649 A CB -1.488 17.398 19.000 -0.190 0.000 0.832 649 A HN 0.683 nan 8.150 nan 0.000 0.455 650 L N -0.307 120.952 121.223 0.061 0.000 2.017 650 L HA -0.340 3.894 4.340 -0.177 0.000 0.234 650 L C 2.413 179.371 176.870 0.147 0.000 1.097 650 L CA 3.296 58.205 54.840 0.115 0.000 0.816 650 L CB -0.790 41.375 42.059 0.176 0.000 0.914 650 L HN 0.573 nan 8.230 nan 0.000 0.444 651 E N -0.292 119.985 120.200 0.128 0.000 2.049 651 E HA -0.259 3.986 4.350 -0.177 0.000 0.198 651 E C 2.098 178.805 176.600 0.180 0.000 1.007 651 E CA 2.373 58.842 56.400 0.116 0.000 0.809 651 E CB -0.740 29.002 29.700 0.069 0.000 0.749 651 E HN 0.617 nan 8.360 nan 0.000 0.450 652 L N -0.789 120.591 121.223 0.260 0.000 2.137 652 L HA -0.190 4.044 4.340 -0.177 0.000 0.213 652 L C 1.606 178.775 176.870 0.497 0.000 1.085 652 L CA 1.077 56.150 54.840 0.387 0.000 0.760 652 L CB -0.362 42.005 42.059 0.513 0.000 0.893 652 L HN 0.161 nan 8.230 nan 0.000 0.434 653 F N -1.286 118.724 119.950 0.100 0.000 2.682 653 F HA 0.122 4.543 4.527 -0.176 0.000 0.308 653 F C 1.966 177.901 175.800 0.225 0.000 1.093 653 F CA -0.734 57.322 58.000 0.094 0.000 1.244 653 F CB -0.471 38.510 39.000 -0.033 0.000 1.052 653 F HN -0.059 nan 8.300 nan 0.000 0.573 654 K N 1.576 122.180 120.400 0.339 0.000 2.054 654 K HA -0.302 3.912 4.320 -0.177 0.000 0.227 654 K C -1.075 175.676 176.600 0.252 0.000 1.019 654 K CA 2.867 59.288 56.287 0.223 0.000 0.978 654 K CB -1.629 30.954 32.500 0.139 0.000 0.782 654 K HN 0.118 nan 8.250 nan 0.000 0.454 655 P HA -0.171 nan 4.420 nan 0.000 0.208 655 P C 1.413 178.863 177.300 0.250 0.000 1.180 655 P CA 2.084 65.328 63.100 0.239 0.000 0.935 655 P CB -0.279 31.582 31.700 0.269 0.000 0.785 656 F N -1.137 118.879 119.950 0.110 0.000 2.048 656 F HA -0.252 4.169 4.527 -0.176 0.000 0.296 656 F C 2.363 178.229 175.800 0.110 0.000 1.109 656 F CA 1.512 59.574 58.000 0.102 0.000 1.214 656 F CB -1.913 37.167 39.000 0.133 0.000 0.963 656 F HN -0.120 nan 8.300 nan 0.000 0.491 657 L N 0.277 121.736 121.223 0.394 0.000 1.976 657 L HA -0.263 3.971 4.340 -0.177 0.000 0.223 657 L C 2.258 179.207 176.870 0.131 0.000 1.081 657 L CA 1.797 56.772 54.840 0.224 0.000 0.784 657 L CB -1.258 40.911 42.059 0.183 0.000 0.896 657 L HN 0.210 nan 8.230 nan 0.000 0.438 658 L N -0.661 120.631 121.223 0.114 0.000 2.026 658 L HA -0.383 3.851 4.340 -0.177 0.000 0.231 658 L C 2.641 179.539 176.870 0.048 0.000 1.095 658 L CA 2.180 57.056 54.840 0.061 0.000 0.810 658 L CB -1.014 41.080 42.059 0.059 0.000 0.909 658 L HN 0.368 nan 8.230 nan 0.000 0.444 659 K N 0.376 120.806 120.400 0.050 0.000 2.013 659 K HA -0.256 3.958 4.320 -0.177 0.000 0.225 659 K C 2.038 178.660 176.600 0.037 0.000 1.056 659 K CA 1.829 58.132 56.287 0.027 0.000 0.971 659 K CB -0.334 32.169 32.500 0.005 0.000 0.731 659 K HN 0.023 nan 8.250 nan 0.000 0.450 660 K N 0.235 120.674 120.400 0.065 0.000 2.052 660 K HA -0.227 3.987 4.320 -0.177 0.000 0.215 660 K C 2.247 178.867 176.600 0.034 0.000 1.053 660 K CA 2.317 58.640 56.287 0.060 0.000 0.934 660 K CB -0.601 31.951 32.500 0.087 0.000 0.717 660 K HN 0.378 nan 8.250 nan 0.000 0.450 661 M N 0.434 120.051 119.600 0.027 0.000 2.539 661 M HA -0.275 4.099 4.480 -0.177 0.000 0.265 661 M C 2.310 178.613 176.300 0.004 0.000 1.064 661 M CA 1.983 57.286 55.300 0.005 0.000 1.077 661 M CB -0.722 31.874 32.600 -0.006 0.000 1.246 661 M HN 0.275 nan 8.290 nan 0.000 0.470 662 E N 0.699 120.902 120.200 0.006 0.000 2.086 662 E HA -0.279 3.965 4.350 -0.177 0.000 0.205 662 E C 1.629 178.232 176.600 0.004 0.000 1.027 662 E CA 2.027 58.429 56.400 0.003 0.000 0.830 662 E CB -0.187 29.514 29.700 0.003 0.000 0.751 662 E HN 0.522 nan 8.360 nan 0.000 0.456 663 E N 0.048 120.253 120.200 0.009 0.000 2.448 663 E HA -0.132 4.112 4.350 -0.177 0.000 0.203 663 E C -0.018 176.587 176.600 0.009 0.000 1.046 663 E CA 0.650 57.056 56.400 0.010 0.000 0.871 663 E CB 0.031 29.742 29.700 0.018 0.000 0.790 663 E HN 0.120 nan 8.360 nan 0.000 0.545 664 K N -0.951 119.454 120.400 0.008 0.000 2.397 664 K HA 0.223 4.437 4.320 -0.177 0.000 0.253 664 K C 0.743 177.343 176.600 0.001 0.000 0.932 664 K CA -0.282 56.008 56.287 0.006 0.000 0.795 664 K CB 1.910 34.414 32.500 0.008 0.000 1.159 664 K HN -0.034 nan 8.250 nan 0.000 0.424 665 G N 3.995 112.795 108.800 0.001 0.000 2.759 665 G HA2 -0.364 3.490 3.960 -0.177 0.000 0.224 665 G HA3 -0.364 3.490 3.960 -0.177 0.000 0.224 665 G C 1.369 176.267 174.900 -0.005 0.000 1.173 665 G CA 1.995 47.094 45.100 -0.001 0.000 0.770 665 G HN 0.872 nan 8.290 nan 0.000 0.626 666 I N -0.715 119.851 120.570 -0.006 0.000 2.292 666 I HA -0.150 3.914 4.170 -0.177 0.000 0.255 666 I C 1.378 177.485 176.117 -0.016 0.000 1.078 666 I CA 1.617 62.909 61.300 -0.013 0.000 1.365 666 I CB -0.655 37.334 38.000 -0.018 0.000 1.049 666 I HN 0.331 nan 8.210 nan 0.000 0.439 667 A N 0.971 123.783 122.820 -0.012 0.000 2.310 667 A HA 0.625 4.839 4.320 -0.177 0.000 0.304 667 A C -1.951 175.629 177.584 -0.008 0.000 1.231 667 A CA -1.412 50.618 52.037 -0.012 0.000 0.799 667 A CB 0.945 19.937 19.000 -0.013 0.000 1.162 667 A HN -0.008 nan 8.150 nan 0.000 0.486 668 P HA -0.108 nan 4.420 nan 0.000 0.208 668 P C 0.460 177.757 177.300 -0.005 0.000 1.200 668 P CA 1.367 64.464 63.100 -0.006 0.000 0.924 668 P CB 0.210 31.907 31.700 -0.006 0.000 0.774 669 N N -2.368 116.329 118.700 -0.005 0.000 3.100 669 N HA 0.105 4.739 4.740 -0.177 0.000 0.344 669 N C 0.875 176.383 175.510 -0.003 0.000 1.413 669 N CA -0.426 52.622 53.050 -0.004 0.000 0.752 669 N CB 0.503 38.988 38.487 -0.004 0.000 1.519 669 N HN -0.265 nan 8.380 nan 0.000 0.620 670 V N 0.591 120.504 119.914 -0.002 0.000 2.232 670 V HA -0.150 3.864 4.120 -0.177 0.000 0.239 670 V C 2.515 178.609 176.094 0.000 0.000 1.040 670 V CA 2.252 64.552 62.300 0.001 0.000 0.996 670 V CB -1.045 30.779 31.823 0.002 0.000 0.638 670 V HN 0.800 nan 8.190 nan 0.000 0.453 671 K N 1.095 121.495 120.400 0.000 0.000 2.189 671 K HA -0.251 3.963 4.320 -0.177 0.000 0.207 671 K C 1.837 178.434 176.600 -0.004 0.000 1.046 671 K CA 1.944 58.230 56.287 -0.000 0.000 0.928 671 K CB -0.869 31.631 32.500 -0.000 0.000 0.720 671 K HN 0.458 nan 8.250 nan 0.000 0.458 672 A N 0.486 123.303 122.820 -0.005 0.000 1.829 672 A HA -0.096 4.118 4.320 -0.177 0.000 0.216 672 A C 2.431 180.007 177.584 -0.013 0.000 1.207 672 A CA 2.708 54.740 52.037 -0.009 0.000 0.622 672 A CB -1.637 17.358 19.000 -0.009 0.000 0.846 672 A HN 0.468 nan 8.150 nan 0.000 0.447 673 A N -0.807 122.004 122.820 -0.014 0.000 1.896 673 A HA -0.283 3.931 4.320 -0.177 0.000 0.220 673 A C 2.243 179.816 177.584 -0.018 0.000 1.206 673 A CA 2.168 54.192 52.037 -0.021 0.000 0.647 673 A CB -0.715 18.276 19.000 -0.014 0.000 0.828 673 A HN 0.499 nan 8.150 nan 0.000 0.455 674 R N -0.615 119.881 120.500 -0.007 0.000 2.196 674 R HA -0.229 4.005 4.340 -0.177 0.000 0.234 674 R C 2.323 178.618 176.300 -0.008 0.000 1.113 674 R CA 2.305 58.404 56.100 -0.003 0.000 0.899 674 R CB -0.849 29.453 30.300 0.002 0.000 0.863 674 R HN 0.671 nan 8.270 nan 0.000 0.430 675 R N 0.252 120.747 120.500 -0.008 0.000 2.083 675 R HA -0.137 4.097 4.340 -0.177 0.000 0.237 675 R C 2.320 178.610 176.300 -0.016 0.000 1.137 675 R CA 1.648 57.742 56.100 -0.009 0.000 0.951 675 R CB -0.557 29.738 30.300 -0.008 0.000 0.851 675 R HN 0.192 nan 8.270 nan 0.000 0.434 676 M N 0.975 120.562 119.600 -0.022 0.000 2.413 676 M HA -0.170 4.204 4.480 -0.177 0.000 0.258 676 M C 1.149 177.422 176.300 -0.046 0.000 1.081 676 M CA 1.746 57.027 55.300 -0.033 0.000 1.047 676 M CB -0.093 32.484 32.600 -0.038 0.000 1.390 676 M HN 0.183 nan 8.290 nan 0.000 0.438 677 L N -1.342 119.856 121.223 -0.042 0.000 2.749 677 L HA 0.161 4.395 4.340 -0.177 0.000 0.242 677 L C 1.973 178.828 176.870 -0.025 0.000 1.103 677 L CA 0.506 55.315 54.840 -0.052 0.000 0.906 677 L CB -0.825 41.196 42.059 -0.062 0.000 1.228 677 L HN 0.391 nan 8.230 nan 0.000 0.517 678 E N 2.094 122.285 120.200 -0.015 0.000 2.236 678 E HA -0.232 4.012 4.350 -0.177 0.000 0.205 678 E C 0.463 177.063 176.600 0.001 0.000 1.028 678 E CA 1.176 57.574 56.400 -0.005 0.000 0.827 678 E CB -0.151 29.547 29.700 -0.004 0.000 0.735 678 E HN 0.486 nan 8.360 nan 0.000 0.470 679 R N 0.609 121.108 120.500 -0.001 0.000 2.480 679 R HA 0.224 4.458 4.340 -0.177 0.000 0.306 679 R C 0.601 176.910 176.300 0.015 0.000 0.958 679 R CA -0.418 55.686 56.100 0.008 0.000 0.861 679 R CB 1.242 31.546 30.300 0.006 0.000 1.171 679 R HN 0.106 nan 8.270 nan 0.000 0.445 680 Q N 1.994 121.814 119.800 0.034 0.000 2.152 680 Q HA -0.250 3.984 4.340 -0.177 0.000 0.206 680 Q C 1.864 177.901 176.000 0.061 0.000 0.985 680 Q CA 2.061 57.902 55.803 0.063 0.000 0.863 680 Q CB -0.000 28.786 28.738 0.080 0.000 0.904 680 Q HN 0.516 nan 8.270 nan 0.000 0.422 681 R N 0.587 121.111 120.500 0.041 0.000 2.091 681 R HA -0.150 4.084 4.340 -0.177 0.000 0.238 681 R C 0.575 176.892 176.300 0.029 0.000 1.136 681 R CA 2.008 58.130 56.100 0.036 0.000 0.959 681 R CB -0.419 29.895 30.300 0.023 0.000 0.856 681 R HN 0.171 nan 8.270 nan 0.000 0.437 682 D N 0.501 120.910 120.400 0.014 0.000 2.319 682 D HA 0.196 4.730 4.640 -0.177 0.000 0.230 682 D C -0.251 176.038 176.300 -0.019 0.000 1.094 682 D CA 0.177 54.177 54.000 -0.000 0.000 0.856 682 D CB 0.209 41.005 40.800 -0.007 0.000 0.915 682 D HN 0.218 nan 8.370 nan 0.000 0.517 683 I N 1.906 122.470 120.570 -0.011 0.000 2.347 683 I HA 0.038 4.102 4.170 -0.177 0.000 0.294 683 I C 0.959 177.045 176.117 -0.051 0.000 1.090 683 I CA -0.264 60.993 61.300 -0.071 0.000 1.314 683 I CB 0.425 38.401 38.000 -0.040 0.000 1.423 683 I HN -0.097 nan 8.210 nan 0.000 0.503 684 K N 4.554 124.891 120.400 -0.106 0.000 2.545 684 K HA 0.046 4.260 4.320 -0.177 0.000 0.269 684 K C 0.431 177.002 176.600 -0.049 0.000 1.071 684 K CA -0.336 55.917 56.287 -0.057 0.000 0.919 684 K CB 0.428 32.889 32.500 -0.065 0.000 1.169 684 K HN 0.480 nan 8.250 nan 0.000 0.493 685 D N 0.988 121.394 120.400 0.010 0.000 2.429 685 D HA -0.069 4.465 4.640 -0.177 0.000 0.242 685 D C 1.644 177.971 176.300 0.046 0.000 1.076 685 D CA 0.765 54.840 54.000 0.125 0.000 0.955 685 D CB -0.814 40.062 40.800 0.128 0.000 1.076 685 D HN 0.366 nan 8.370 nan 0.000 0.448 686 E N 1.344 121.556 120.200 0.019 0.000 2.312 686 E HA -0.192 4.052 4.350 -0.177 0.000 0.209 686 E C 2.209 178.772 176.600 -0.062 0.000 1.047 686 E CA 0.842 57.246 56.400 0.006 0.000 0.840 686 E CB -0.686 29.011 29.700 -0.006 0.000 0.738 686 E HN 0.132 nan 8.360 nan 0.000 0.478 687 V N -0.021 119.764 119.914 -0.216 0.000 2.236 687 V HA -0.346 3.668 4.120 -0.177 0.000 0.255 687 V C 1.965 177.871 176.094 -0.314 0.000 1.068 687 V CA 2.489 64.559 62.300 -0.384 0.000 1.044 687 V CB -1.086 30.283 31.823 -0.757 0.000 0.653 687 V HN 0.419 nan 8.190 nan 0.000 0.448 688 W N 0.352 121.653 121.300 0.001 0.000 2.335 688 W HA -0.136 4.418 4.660 -0.176 0.000 0.311 688 W C 2.412 178.929 176.519 -0.003 0.000 1.213 688 W CA 1.041 58.380 57.345 -0.010 0.000 1.274 688 W CB -0.856 28.593 29.460 -0.018 0.000 1.148 688 W HN 0.232 nan 8.180 nan 0.000 0.498 689 D N 0.417 120.942 120.400 0.208 0.000 2.190 689 D HA -0.213 4.322 4.640 -0.177 0.000 0.200 689 D C 2.080 178.433 176.300 0.089 0.000 0.992 689 D CA 1.960 56.037 54.000 0.128 0.000 0.854 689 D CB -0.665 40.193 40.800 0.095 0.000 0.936 689 D HN 0.249 nan 8.370 nan 0.000 0.462 690 A N 1.017 123.872 122.820 0.058 0.000 1.835 690 A HA -0.065 4.149 4.320 -0.177 0.000 0.213 690 A C 2.108 179.735 177.584 0.071 0.000 1.210 690 A CA 0.658 52.726 52.037 0.051 0.000 0.605 690 A CB -0.867 18.145 19.000 0.019 0.000 0.860 690 A HN 0.189 nan 8.150 nan 0.000 0.447 691 L N 0.419 121.677 121.223 0.058 0.000 2.040 691 L HA -0.304 3.930 4.340 -0.177 0.000 0.228 691 L C 2.254 179.159 176.870 0.057 0.000 1.092 691 L CA 3.099 57.977 54.840 0.062 0.000 0.805 691 L CB -0.973 41.129 42.059 0.072 0.000 0.905 691 L HN 0.589 nan 8.230 nan 0.000 0.443 692 E N 0.282 120.526 120.200 0.073 0.000 2.019 692 E HA -0.343 3.901 4.350 -0.177 0.000 0.208 692 E C 2.064 178.724 176.600 0.099 0.000 1.030 692 E CA 1.990 58.427 56.400 0.061 0.000 0.856 692 E CB -0.736 29.012 29.700 0.079 0.000 0.781 692 E HN 0.718 nan 8.360 nan 0.000 0.471 693 E N -0.161 120.111 120.200 0.120 0.000 2.246 693 E HA -0.299 3.945 4.350 -0.177 0.000 0.232 693 E C 2.120 178.819 176.600 0.166 0.000 1.087 693 E CA 3.093 59.577 56.400 0.140 0.000 0.964 693 E CB -0.289 29.471 29.700 0.099 0.000 0.827 693 E HN 0.199 nan 8.360 nan 0.000 0.476 694 V N 1.243 121.251 119.914 0.158 0.000 2.220 694 V HA -0.336 3.678 4.120 -0.177 0.000 0.250 694 V C 2.582 178.808 176.094 0.220 0.000 1.056 694 V CA 2.473 64.899 62.300 0.209 0.000 1.016 694 V CB -0.745 31.232 31.823 0.257 0.000 0.639 694 V HN 0.383 nan 8.190 nan 0.000 0.446 695 I N -1.030 119.642 120.570 0.169 0.000 2.182 695 I HA -0.293 3.771 4.170 -0.177 0.000 0.248 695 I C 1.557 177.766 176.117 0.154 0.000 1.073 695 I CA 1.234 62.614 61.300 0.134 0.000 1.335 695 I CB -0.727 37.263 38.000 -0.017 0.000 1.031 695 I HN 0.426 nan 8.210 nan 0.000 0.420 696 H N 1.497 120.617 119.070 0.082 0.000 3.221 696 H HA -0.117 4.333 4.556 -0.176 0.000 0.272 696 H C 1.232 176.611 175.328 0.085 0.000 0.865 696 H CA 1.353 57.447 56.048 0.076 0.000 1.419 696 H CB 0.140 29.942 29.762 0.067 0.000 1.377 696 H HN 0.529 nan 8.280 nan 0.000 0.535 697 G N 4.338 113.215 108.800 0.128 0.000 2.579 697 G HA2 -0.281 3.573 3.960 -0.177 0.000 0.222 697 G HA3 -0.281 3.573 3.960 -0.177 0.000 0.222 697 G C 0.523 175.489 174.900 0.109 0.000 1.201 697 G CA 0.337 45.528 45.100 0.151 0.000 0.710 697 G HN 0.607 nan 8.290 nan 0.000 0.516 698 K N 0.826 121.303 120.400 0.128 0.000 2.397 698 K HA 0.450 4.664 4.320 -0.177 0.000 0.265 698 K C 0.623 177.296 176.600 0.122 0.000 0.982 698 K CA 0.634 56.996 56.287 0.125 0.000 0.931 698 K CB 1.263 33.860 32.500 0.161 0.000 0.943 698 K HN 1.130 nan 8.250 nan 0.000 0.501 699 V N -2.239 117.747 119.914 0.120 0.000 3.182 699 V HA 0.764 4.778 4.120 -0.177 0.000 0.308 699 V C -0.526 175.658 176.094 0.150 0.000 1.240 699 V CA -0.939 61.442 62.300 0.135 0.000 1.063 699 V CB 1.751 33.631 31.823 0.096 0.000 1.076 699 V HN 0.619 nan 8.190 nan 0.000 0.446 700 V N -1.274 118.750 119.914 0.184 0.000 3.076 700 V HA 0.759 4.773 4.120 -0.177 0.000 0.311 700 V C -0.932 175.291 176.094 0.216 0.000 1.346 700 V CA -1.078 61.335 62.300 0.188 0.000 1.056 700 V CB 1.791 33.741 31.823 0.212 0.000 1.093 700 V HN 0.958 nan 8.190 nan 0.000 0.468 701 L N 1.100 122.458 121.223 0.224 0.000 2.365 701 L HA 0.666 4.900 4.340 -0.177 0.000 0.273 701 L C -1.108 175.929 176.870 0.279 0.000 1.000 701 L CA -0.493 54.506 54.840 0.265 0.000 0.819 701 L CB 1.932 44.131 42.059 0.233 0.000 1.284 701 L HN 0.460 nan 8.230 nan 0.000 0.418 702 L N 2.856 124.284 121.223 0.342 0.000 2.341 702 L HA 0.533 4.767 4.340 -0.177 0.000 0.278 702 L C -0.558 176.504 176.870 0.320 0.000 1.005 702 L CA -0.366 54.600 54.840 0.210 0.000 0.818 702 L CB 1.967 44.036 42.059 0.015 0.000 1.259 702 L HN 0.657 nan 8.230 nan 0.000 0.418 703 N N 2.424 121.251 118.700 0.211 0.000 2.238 703 N HA 0.423 5.057 4.740 -0.177 0.000 0.302 703 N C -1.246 174.357 175.510 0.155 0.000 1.072 703 N CA -0.738 52.483 53.050 0.284 0.000 0.792 703 N CB 1.957 40.605 38.487 0.268 0.000 1.425 703 N HN 0.467 nan 8.380 nan 0.000 0.478 704 R N 3.060 123.701 120.500 0.236 0.000 2.521 704 R HA 0.390 4.624 4.340 -0.177 0.000 0.295 704 R C -1.366 175.021 176.300 0.146 0.000 1.183 704 R CA -0.251 55.929 56.100 0.134 0.000 0.957 704 R CB 0.857 31.243 30.300 0.143 0.000 1.171 704 R HN 0.666 nan 8.270 nan 0.000 0.494 705 A N 5.228 128.104 122.820 0.093 0.000 2.386 705 A HA 0.546 4.760 4.320 -0.177 0.000 0.248 705 A C -2.103 175.519 177.584 0.062 0.000 1.082 705 A CA -1.065 51.018 52.037 0.077 0.000 0.789 705 A CB -0.070 18.967 19.000 0.061 0.000 1.025 705 A HN 0.505 nan 8.150 nan 0.000 0.490 706 P HA 0.283 nan 4.420 nan 0.000 0.276 706 P C -0.595 176.744 177.300 0.066 0.000 1.230 706 P CA 0.005 63.139 63.100 0.055 0.000 0.776 706 P CB 0.639 32.367 31.700 0.046 0.000 0.888 707 T N 3.876 118.462 114.554 0.053 0.000 2.782 707 T HA 0.194 4.438 4.350 -0.177 0.000 0.298 707 T C 1.301 176.015 174.700 0.024 0.000 0.944 707 T CA -0.175 61.943 62.100 0.029 0.000 1.001 707 T CB -0.238 68.640 68.868 0.017 0.000 0.932 707 T HN 0.248 nan 8.240 nan 0.000 0.524 708 L N 2.221 123.480 121.223 0.060 0.000 2.253 708 L HA 0.207 4.441 4.340 -0.177 0.000 0.205 708 L C 1.232 178.175 176.870 0.121 0.000 1.078 708 L CA 0.424 55.322 54.840 0.096 0.000 0.805 708 L CB -0.162 41.976 42.059 0.131 0.000 0.963 708 L HN 0.706 nan 8.230 nan 0.000 0.459 709 H N -1.275 117.768 119.070 -0.045 0.000 2.768 709 H HA 0.271 4.721 4.556 -0.177 0.000 0.371 709 H C 0.644 175.927 175.328 -0.074 0.000 1.151 709 H CA -0.918 55.094 56.048 -0.061 0.000 1.165 709 H CB 1.010 30.732 29.762 -0.067 0.000 1.722 709 H HN 0.037 nan 8.280 nan 0.000 0.543 710 R N 1.079 121.479 120.500 -0.166 0.000 2.190 710 R HA -0.224 4.010 4.340 -0.177 0.000 0.255 710 R C 0.574 176.644 176.300 -0.382 0.000 1.143 710 R CA 2.176 58.153 56.100 -0.205 0.000 0.965 710 R CB -0.803 29.439 30.300 -0.096 0.000 0.889 710 R HN 0.405 nan 8.270 nan 0.000 0.448 711 L N 1.724 122.601 121.223 -0.577 0.000 2.721 711 L HA 0.015 4.249 4.340 -0.177 0.000 0.241 711 L C 2.136 178.458 176.870 -0.913 0.000 1.168 711 L CA 1.472 55.939 54.840 -0.622 0.000 0.866 711 L CB -0.332 41.534 42.059 -0.320 0.000 0.996 711 L HN 0.526 nan 8.230 nan 0.000 0.451 712 G N -0.849 107.456 108.800 -0.824 0.000 2.776 712 G HA2 0.130 3.984 3.960 -0.177 0.000 0.209 712 G HA3 0.130 3.984 3.960 -0.177 0.000 0.209 712 G C 0.628 175.398 174.900 -0.218 0.000 1.145 712 G CA 0.069 44.867 45.100 -0.504 0.000 0.791 712 G HN 0.316 nan 8.290 nan 0.000 0.530 713 I N -0.914 119.491 120.570 -0.275 0.000 2.656 713 I HA 0.416 4.480 4.170 -0.177 0.000 0.292 713 I C -0.885 175.235 176.117 0.005 0.000 1.144 713 I CA -0.668 60.663 61.300 0.052 0.000 1.038 713 I CB 2.521 40.543 38.000 0.037 0.000 1.244 713 I HN -0.048 nan 8.210 nan 0.000 0.420 714 Q N 2.890 122.868 119.800 0.296 0.000 2.482 714 Q HA 0.811 5.045 4.340 -0.177 0.000 0.286 714 Q C -1.420 174.648 176.000 0.114 0.000 1.007 714 Q CA -0.765 55.104 55.803 0.109 0.000 0.801 714 Q CB 3.045 31.837 28.738 0.090 0.000 1.455 714 Q HN 0.746 nan 8.270 nan 0.000 0.398 715 A N 1.026 123.708 122.820 -0.229 0.000 2.337 715 A HA 0.942 5.156 4.320 -0.177 0.000 0.331 715 A C -1.489 175.815 177.584 -0.467 0.000 1.137 715 A CA -0.247 51.717 52.037 -0.120 0.000 0.807 715 A CB 0.645 19.607 19.000 -0.063 0.000 1.250 715 A HN 0.481 nan 8.150 nan 0.000 0.468 716 F N -0.847 119.147 119.950 0.073 0.000 2.654 716 F HA 0.375 4.795 4.527 -0.177 0.000 0.308 716 F C -0.061 175.780 175.800 0.070 0.000 1.108 716 F CA -0.498 57.544 58.000 0.070 0.000 0.957 716 F CB 1.996 41.030 39.000 0.057 0.000 1.309 716 F HN 0.558 nan 8.300 nan 0.000 0.446 717 Q N 4.077 124.046 119.800 0.280 0.000 2.314 717 Q HA 0.311 4.545 4.340 -0.177 0.000 0.257 717 Q C -2.419 173.665 176.000 0.140 0.000 0.975 717 Q CA -1.848 54.061 55.803 0.178 0.000 0.933 717 Q CB 1.295 30.132 28.738 0.166 0.000 1.195 717 Q HN 0.173 nan 8.270 nan 0.000 0.426 718 P HA 0.169 nan 4.420 nan 0.000 0.276 718 P C -0.763 176.519 177.300 -0.031 0.000 1.252 718 P CA -0.307 62.800 63.100 0.012 0.000 0.802 718 P CB 1.181 32.874 31.700 -0.013 0.000 1.035 719 V N 2.141 122.019 119.914 -0.059 0.000 2.656 719 V HA 0.259 4.273 4.120 -0.177 0.000 0.307 719 V C 0.506 176.547 176.094 -0.087 0.000 1.051 719 V CA -0.954 61.304 62.300 -0.069 0.000 0.893 719 V CB 1.679 33.461 31.823 -0.069 0.000 0.999 719 V HN 0.377 nan 8.190 nan 0.000 0.426 720 L N 5.210 126.380 121.223 -0.088 0.000 2.453 720 L HA 0.484 4.718 4.340 -0.177 0.000 0.272 720 L C 0.022 176.821 176.870 -0.118 0.000 1.182 720 L CA 0.084 54.862 54.840 -0.104 0.000 0.858 720 L CB 0.771 42.777 42.059 -0.089 0.000 1.120 720 L HN 0.634 nan 8.230 nan 0.000 0.474 721 V N -0.561 119.272 119.914 -0.134 0.000 3.078 721 V HA 0.599 4.613 4.120 -0.177 0.000 0.311 721 V C -0.374 175.623 176.094 -0.162 0.000 1.138 721 V CA -0.996 61.221 62.300 -0.139 0.000 1.007 721 V CB 2.216 33.966 31.823 -0.122 0.000 1.045 721 V HN 0.599 nan 8.190 nan 0.000 0.432 722 E N 1.180 121.286 120.200 -0.156 0.000 2.342 722 E HA 0.650 4.894 4.350 -0.177 0.000 0.257 722 E C 0.566 177.089 176.600 -0.129 0.000 1.150 722 E CA 1.019 57.322 56.400 -0.162 0.000 0.926 722 E CB 1.025 30.635 29.700 -0.149 0.000 1.074 722 E HN 1.837 nan 8.360 nan 0.000 0.449 723 G N 0.940 109.670 108.800 -0.118 0.000 2.785 723 G HA2 -0.237 3.617 3.960 -0.177 0.000 0.685 723 G HA3 -0.237 3.617 3.960 -0.177 0.000 0.685 723 G C -0.379 174.471 174.900 -0.085 0.000 1.480 723 G CA 0.073 45.118 45.100 -0.092 0.000 0.915 723 G HN 0.537 nan 8.290 nan 0.000 0.576 724 Q N -0.763 118.998 119.800 -0.066 0.000 2.823 724 Q HA 0.559 4.794 4.340 -0.177 0.000 0.370 724 Q C 0.415 176.384 176.000 -0.051 0.000 1.110 724 Q CA 0.138 55.908 55.803 -0.054 0.000 0.990 724 Q CB 0.092 28.806 28.738 -0.040 0.000 1.383 724 Q HN 1.233 nan 8.270 nan 0.000 0.430 725 S N -0.383 115.281 115.700 -0.061 0.000 2.564 725 S HA 0.657 5.021 4.470 -0.177 0.000 0.274 725 S C -0.425 174.135 174.600 -0.067 0.000 1.124 725 S CA -1.019 57.147 58.200 -0.055 0.000 0.869 725 S CB 1.019 64.189 63.200 -0.049 0.000 1.105 725 S HN 0.363 nan 8.310 nan 0.000 0.472 726 I N 1.807 122.340 120.570 -0.062 0.000 2.342 726 I HA 0.255 4.319 4.170 -0.177 0.000 0.291 726 I C 0.117 176.189 176.117 -0.076 0.000 1.010 726 I CA -0.428 60.822 61.300 -0.083 0.000 1.308 726 I CB 0.952 38.893 38.000 -0.098 0.000 1.400 726 I HN 0.579 nan 8.210 nan 0.000 0.488 727 Q N 5.996 125.732 119.800 -0.107 0.000 2.377 727 Q HA 0.390 4.624 4.340 -0.177 0.000 0.249 727 Q C -0.860 175.061 176.000 -0.131 0.000 1.005 727 Q CA -0.731 55.006 55.803 -0.110 0.000 0.912 727 Q CB 1.701 30.361 28.738 -0.130 0.000 1.223 727 Q HN 0.446 nan 8.270 nan 0.000 0.459 728 L N 2.132 123.327 121.223 -0.048 0.000 2.334 728 L HA 0.251 4.485 4.340 -0.177 0.000 0.277 728 L C -0.503 176.388 176.870 0.035 0.000 1.075 728 L CA -0.390 54.413 54.840 -0.063 0.000 0.804 728 L CB 0.952 43.027 42.059 0.026 0.000 1.174 728 L HN 0.563 nan 8.230 nan 0.000 0.438 729 H N 6.208 125.234 119.070 -0.073 0.000 2.878 729 H HA 0.196 4.645 4.556 -0.177 0.000 0.290 729 H C -1.562 173.862 175.328 0.160 0.000 1.065 729 H CA -1.203 54.872 56.048 0.045 0.000 1.477 729 H CB 1.013 30.819 29.762 0.073 0.000 1.484 729 H HN 0.525 nan 8.280 nan 0.000 0.504 730 P HA -0.313 nan 4.420 nan 0.000 0.222 730 P C 1.414 178.950 177.300 0.392 0.000 1.155 730 P CA 1.426 64.746 63.100 0.368 0.000 0.890 730 P CB 0.370 32.246 31.700 0.294 0.000 0.790 731 L N -0.341 121.167 121.223 0.475 0.000 2.046 731 L HA -0.115 4.119 4.340 -0.177 0.000 0.208 731 L C 2.801 179.819 176.870 0.245 0.000 1.077 731 L CA 1.624 56.630 54.840 0.278 0.000 0.747 731 L CB -1.042 41.120 42.059 0.171 0.000 0.896 731 L HN -0.057 nan 8.230 nan 0.000 0.432 732 V N -3.956 116.141 119.914 0.305 0.000 2.913 732 V HA -0.195 3.819 4.120 -0.177 0.000 0.260 732 V C 2.275 178.604 176.094 0.393 0.000 1.098 732 V CA 1.206 63.722 62.300 0.359 0.000 1.121 732 V CB -1.156 31.010 31.823 0.572 0.000 0.714 732 V HN 0.499 nan 8.190 nan 0.000 0.487 733 C N 0.421 119.919 119.300 0.329 0.000 2.400 733 C HA -0.095 4.259 4.460 -0.177 0.000 0.291 733 C C 2.554 177.665 174.990 0.202 0.000 1.372 733 C CA 0.905 60.070 59.018 0.245 0.000 1.800 733 C CB -1.408 26.448 27.740 0.193 0.000 1.869 733 C HN 0.669 nan 8.230 nan 0.000 0.533 734 E N 1.591 121.904 120.200 0.188 0.000 1.992 734 E HA -0.204 4.040 4.350 -0.177 0.000 0.202 734 E C 2.533 179.207 176.600 0.123 0.000 1.007 734 E CA 1.717 58.193 56.400 0.126 0.000 0.857 734 E CB -0.913 28.850 29.700 0.106 0.000 0.796 734 E HN 0.596 nan 8.360 nan 0.000 0.486 735 A N 1.357 124.252 122.820 0.125 0.000 1.873 735 A HA -0.169 4.045 4.320 -0.177 0.000 0.218 735 A C 1.697 179.382 177.584 0.168 0.000 1.193 735 A CA 1.273 53.417 52.037 0.178 0.000 0.629 735 A CB -1.078 17.995 19.000 0.123 0.000 0.826 735 A HN 0.240 nan 8.150 nan 0.000 0.447 736 F N 1.083 121.121 119.950 0.146 0.000 2.665 736 F HA 0.045 4.466 4.527 -0.177 0.000 0.360 736 F C 0.867 176.692 175.800 0.042 0.000 1.168 736 F CA -0.238 57.811 58.000 0.082 0.000 1.366 736 F CB -0.982 38.054 39.000 0.061 0.000 1.592 736 F HN 0.281 nan 8.300 nan 0.000 0.610 737 N N 2.809 121.626 118.700 0.195 0.000 2.206 737 N HA 0.088 4.722 4.740 -0.177 0.000 0.283 737 N C -0.731 174.816 175.510 0.062 0.000 1.385 737 N CA 0.526 53.638 53.050 0.104 0.000 1.002 737 N CB 0.045 38.576 38.487 0.073 0.000 1.423 737 N HN 0.418 nan 8.380 nan 0.000 0.488 738 A N 2.773 125.594 122.820 0.002 0.000 2.565 738 A HA 0.431 4.646 4.320 -0.177 0.000 0.298 738 A C -1.501 175.916 177.584 -0.278 0.000 1.062 738 A CA -0.930 51.043 52.037 -0.108 0.000 0.723 738 A CB 0.938 19.873 19.000 -0.107 0.000 1.282 738 A HN 0.678 nan 8.150 nan 0.000 0.400 739 D N -0.044 120.174 120.400 -0.302 0.000 2.449 739 D HA 0.626 5.160 4.640 -0.177 0.000 0.250 739 D C -0.558 175.426 176.300 -0.527 0.000 1.050 739 D CA -0.865 52.895 54.000 -0.400 0.000 1.024 739 D CB 0.313 41.055 40.800 -0.097 0.000 1.218 739 D HN 0.236 nan 8.370 nan 0.000 0.566 740 F N 0.257 120.198 119.950 -0.015 0.000 2.894 740 F HA 0.176 4.597 4.527 -0.177 0.000 0.310 740 F C 0.688 176.470 175.800 -0.030 0.000 1.204 740 F CA -0.713 57.269 58.000 -0.029 0.000 1.290 740 F CB -0.185 38.792 39.000 -0.039 0.000 1.317 740 F HN 0.172 nan 8.300 nan 0.000 0.545 741 D N -0.969 119.459 120.400 0.047 0.000 2.463 741 D HA 0.297 4.831 4.640 -0.177 0.000 0.224 741 D C 1.579 177.883 176.300 0.006 0.000 1.174 741 D CA 0.269 54.285 54.000 0.027 0.000 0.829 741 D CB 0.543 41.345 40.800 0.003 0.000 0.993 741 D HN 0.489 nan 8.370 nan 0.000 0.497 742 G N 0.236 109.042 108.800 0.009 0.000 2.421 742 G HA2 -0.208 3.646 3.960 -0.177 0.000 0.188 742 G HA3 -0.208 3.646 3.960 -0.177 0.000 0.188 742 G C -0.186 174.698 174.900 -0.027 0.000 1.001 742 G CA -0.486 44.611 45.100 -0.005 0.000 0.693 742 G HN 0.277 nan 8.290 nan 0.000 0.479 743 D N 1.550 121.913 120.400 -0.062 0.000 2.583 743 D HA 0.191 4.726 4.640 -0.177 0.000 0.232 743 D C 0.643 176.899 176.300 -0.074 0.000 1.128 743 D CA 0.934 54.883 54.000 -0.085 0.000 0.859 743 D CB 0.734 41.442 40.800 -0.153 0.000 1.169 743 D HN 0.467 nan 8.370 nan 0.000 0.481 744 Q N 1.170 120.935 119.800 -0.059 0.000 2.240 744 Q HA 0.578 4.812 4.340 -0.177 0.000 0.260 744 Q C -0.222 175.735 176.000 -0.071 0.000 1.018 744 Q CA -0.743 55.027 55.803 -0.054 0.000 0.898 744 Q CB 1.912 30.629 28.738 -0.034 0.000 1.301 744 Q HN 0.360 nan 8.270 nan 0.000 0.469 745 M N 0.286 119.839 119.600 -0.078 0.000 2.631 745 M HA 0.603 4.977 4.480 -0.177 0.000 0.288 745 M C -1.440 174.818 176.300 -0.069 0.000 1.260 745 M CA -0.737 54.508 55.300 -0.092 0.000 0.842 745 M CB 2.256 34.752 32.600 -0.173 0.000 1.743 745 M HN 0.708 nan 8.290 nan 0.000 0.461 746 A N 1.449 124.243 122.820 -0.045 0.000 2.324 746 A HA 0.776 4.990 4.320 -0.177 0.000 0.330 746 A C -1.136 176.355 177.584 -0.155 0.000 1.165 746 A CA -0.675 51.315 52.037 -0.080 0.000 0.813 746 A CB 1.529 20.555 19.000 0.044 0.000 1.197 746 A HN 0.637 nan 8.150 nan 0.000 0.484 747 V N 3.342 123.058 119.914 -0.330 0.000 2.715 747 V HA 0.742 4.756 4.120 -0.177 0.000 0.310 747 V C -1.141 174.593 176.094 -0.599 0.000 1.054 747 V CA -0.481 61.659 62.300 -0.266 0.000 0.928 747 V CB 1.838 33.600 31.823 -0.101 0.000 1.007 747 V HN 0.977 nan 8.190 nan 0.000 0.437 748 H N 3.612 122.744 119.070 0.103 0.000 2.930 748 H HA 0.516 4.966 4.556 -0.177 0.000 0.371 748 H C -1.339 174.037 175.328 0.081 0.000 1.169 748 H CA -0.435 55.670 56.048 0.095 0.000 1.157 748 H CB 2.191 32.000 29.762 0.079 0.000 1.789 748 H HN 0.538 nan 8.280 nan 0.000 0.547 749 V N 3.502 123.509 119.914 0.154 0.000 2.347 749 V HA 0.219 4.234 4.120 -0.177 0.000 0.280 749 V C -2.063 173.991 176.094 -0.068 0.000 1.021 749 V CA -1.661 60.630 62.300 -0.015 0.000 0.847 749 V CB 1.284 32.972 31.823 -0.225 0.000 0.990 749 V HN 0.549 nan 8.190 nan 0.000 0.444 750 P HA 0.247 nan 4.420 nan 0.000 0.273 750 P C 0.597 177.849 177.300 -0.079 0.000 1.319 750 P CA -0.099 62.980 63.100 -0.035 0.000 0.885 750 P CB 1.186 32.891 31.700 0.008 0.000 1.015 751 L N 2.368 123.531 121.223 -0.101 0.000 1.863 751 L HA -0.105 4.129 4.340 -0.177 0.000 0.225 751 L C 1.600 178.492 176.870 0.036 0.000 1.098 751 L CA 1.077 55.875 54.840 -0.070 0.000 0.814 751 L CB -1.418 40.557 42.059 -0.140 0.000 0.888 751 L HN 0.386 nan 8.230 nan 0.000 0.431 752 S N -0.163 115.556 115.700 0.032 0.000 2.536 752 S HA -0.138 4.226 4.470 -0.177 0.000 0.290 752 S C 1.206 175.864 174.600 0.096 0.000 1.302 752 S CA 0.123 58.362 58.200 0.065 0.000 1.037 752 S CB 0.530 63.783 63.200 0.088 0.000 0.804 752 S HN 0.332 nan 8.310 nan 0.000 0.506 753 S N 1.779 117.531 115.700 0.086 0.000 2.365 753 S HA -0.129 4.235 4.470 -0.177 0.000 0.225 753 S C 1.299 175.994 174.600 0.159 0.000 1.039 753 S CA 1.552 59.803 58.200 0.084 0.000 1.033 753 S CB -0.847 62.363 63.200 0.018 0.000 0.887 753 S HN 0.680 nan 8.310 nan 0.000 0.447 754 F N 1.876 121.825 119.950 -0.002 0.000 2.091 754 F HA -0.295 4.126 4.527 -0.177 0.000 0.299 754 F C 2.677 178.474 175.800 -0.006 0.000 1.103 754 F CA 0.771 58.766 58.000 -0.008 0.000 1.228 754 F CB -0.332 38.657 39.000 -0.019 0.000 0.984 754 F HN 0.257 nan 8.300 nan 0.000 0.477 755 A N -0.205 122.720 122.820 0.175 0.000 1.851 755 A HA -0.282 3.932 4.320 -0.177 0.000 0.216 755 A C 2.019 179.641 177.584 0.063 0.000 1.195 755 A CA 1.690 53.755 52.037 0.047 0.000 0.622 755 A CB -1.170 17.843 19.000 0.021 0.000 0.831 755 A HN 0.424 nan 8.150 nan 0.000 0.444 756 Q N -0.627 119.219 119.800 0.077 0.000 2.142 756 Q HA -0.321 3.914 4.340 -0.177 0.000 0.213 756 Q C 2.423 178.473 176.000 0.084 0.000 1.004 756 Q CA 2.050 57.896 55.803 0.071 0.000 0.883 756 Q CB -0.681 28.104 28.738 0.079 0.000 0.939 756 Q HN 0.674 nan 8.270 nan 0.000 0.413 757 A N 1.056 123.951 122.820 0.126 0.000 1.837 757 A HA -0.271 3.943 4.320 -0.177 0.000 0.216 757 A C 1.916 179.557 177.584 0.095 0.000 1.210 757 A CA 1.982 54.102 52.037 0.138 0.000 0.632 757 A CB -0.903 18.245 19.000 0.247 0.000 0.843 757 A HN 0.505 nan 8.150 nan 0.000 0.448 758 E N -0.243 119.997 120.200 0.066 0.000 2.095 758 E HA -0.283 3.961 4.350 -0.177 0.000 0.212 758 E C 2.254 178.866 176.600 0.021 0.000 1.044 758 E CA 1.422 57.827 56.400 0.008 0.000 0.857 758 E CB -0.534 29.127 29.700 -0.066 0.000 0.764 758 E HN 0.630 nan 8.360 nan 0.000 0.462 759 A N 1.636 124.467 122.820 0.019 0.000 1.862 759 A HA -0.284 3.930 4.320 -0.177 0.000 0.214 759 A C 2.018 179.609 177.584 0.013 0.000 1.228 759 A CA 2.157 54.202 52.037 0.014 0.000 0.665 759 A CB -0.893 18.122 19.000 0.024 0.000 0.845 759 A HN 0.179 nan 8.150 nan 0.000 0.459 760 R N -0.718 119.798 120.500 0.026 0.000 2.332 760 R HA -0.147 4.087 4.340 -0.177 0.000 0.239 760 R C 1.676 178.019 176.300 0.071 0.000 1.160 760 R CA 1.423 57.534 56.100 0.019 0.000 1.020 760 R CB -0.594 29.733 30.300 0.045 0.000 0.859 760 R HN 0.673 nan 8.270 nan 0.000 0.478 761 I N 0.002 120.632 120.570 0.100 0.000 3.025 761 I HA -0.169 3.895 4.170 -0.177 0.000 0.236 761 I C 2.171 178.408 176.117 0.199 0.000 1.063 761 I CA 0.362 61.759 61.300 0.161 0.000 1.476 761 I CB -0.204 37.853 38.000 0.095 0.000 1.331 761 I HN 0.081 nan 8.210 nan 0.000 0.457 762 Q N 0.841 120.699 119.800 0.096 0.000 2.320 762 Q HA 0.118 4.352 4.340 -0.177 0.000 0.201 762 Q C 1.171 177.196 176.000 0.042 0.000 0.910 762 Q CA 0.589 56.435 55.803 0.073 0.000 0.946 762 Q CB 0.615 29.371 28.738 0.030 0.000 1.062 762 Q HN 0.552 nan 8.270 nan 0.000 0.503 763 M N 0.254 119.864 119.600 0.016 0.000 2.279 763 M HA 0.232 4.606 4.480 -0.177 0.000 0.306 763 M C -0.212 176.009 176.300 -0.131 0.000 0.965 763 M CA -0.480 54.793 55.300 -0.045 0.000 1.038 763 M CB 0.970 33.547 32.600 -0.038 0.000 1.636 763 M HN 0.112 nan 8.290 nan 0.000 0.574 764 L N 2.089 123.205 121.223 -0.178 0.000 2.513 764 L HA 0.063 4.297 4.340 -0.177 0.000 0.272 764 L C 1.439 178.087 176.870 -0.370 0.000 1.187 764 L CA 0.491 55.099 54.840 -0.386 0.000 0.895 764 L CB 0.827 42.465 42.059 -0.703 0.000 1.147 764 L HN 0.368 nan 8.230 nan 0.000 0.483 765 S N 3.896 119.273 115.700 -0.538 0.000 2.381 765 S HA -0.283 4.081 4.470 -0.177 0.000 0.230 765 S C 1.537 176.039 174.600 -0.164 0.000 1.052 765 S CA 1.141 59.108 58.200 -0.387 0.000 1.068 765 S CB -0.943 61.913 63.200 -0.572 0.000 0.918 765 S HN 0.918 nan 8.310 nan 0.000 0.448 766 A N 0.384 123.101 122.820 -0.172 0.000 2.250 766 A HA 0.134 4.348 4.320 -0.177 0.000 0.208 766 A C 1.287 178.982 177.584 0.184 0.000 1.254 766 A CA 0.599 52.632 52.037 -0.007 0.000 0.858 766 A CB -0.870 18.151 19.000 0.036 0.000 0.820 766 A HN 0.863 nan 8.150 nan 0.000 0.484 767 H N -1.318 117.749 119.070 -0.005 0.000 3.233 767 H HA 0.170 4.620 4.556 -0.177 0.000 0.263 767 H C -0.533 174.818 175.328 0.040 0.000 1.168 767 H CA -0.502 55.562 56.048 0.027 0.000 1.159 767 H CB 0.545 30.307 29.762 0.000 0.000 1.593 767 H HN 0.350 nan 8.280 nan 0.000 0.580 768 N N 1.524 120.299 118.700 0.124 0.000 2.682 768 N HA 0.106 4.740 4.740 -0.177 0.000 0.252 768 N C -0.365 175.166 175.510 0.036 0.000 1.081 768 N CA -0.034 53.052 53.050 0.060 0.000 0.844 768 N CB 2.184 40.681 38.487 0.016 0.000 1.167 768 N HN 0.084 nan 8.380 nan 0.000 0.523 769 L N 0.557 121.790 121.223 0.017 0.000 2.537 769 L HA 0.368 4.602 4.340 -0.177 0.000 0.224 769 L C 0.625 177.440 176.870 -0.092 0.000 1.065 769 L CA 0.732 55.563 54.840 -0.015 0.000 0.860 769 L CB -0.006 42.074 42.059 0.034 0.000 1.086 769 L HN 0.322 nan 8.230 nan 0.000 0.482 770 L N -1.118 120.001 121.223 -0.173 0.000 2.360 770 L HA 0.422 4.657 4.340 -0.177 0.000 0.271 770 L C 0.553 177.396 176.870 -0.045 0.000 1.057 770 L CA -0.438 54.311 54.840 -0.151 0.000 0.803 770 L CB 1.497 43.398 42.059 -0.264 0.000 1.207 770 L HN -0.115 nan 8.230 nan 0.000 0.445 771 S N 1.349 117.041 115.700 -0.013 0.000 2.499 771 S HA 0.254 4.618 4.470 -0.177 0.000 0.275 771 S C -1.738 172.902 174.600 0.067 0.000 1.257 771 S CA -1.280 56.931 58.200 0.019 0.000 1.050 771 S CB 1.050 64.249 63.200 -0.000 0.000 0.937 771 S HN 0.350 nan 8.310 nan 0.000 0.490 772 P HA -0.014 nan 4.420 nan 0.000 0.223 772 P C 0.862 178.309 177.300 0.245 0.000 1.144 772 P CA 0.968 64.154 63.100 0.143 0.000 0.783 772 P CB 0.152 31.918 31.700 0.109 0.000 0.771 773 A N -0.381 122.531 122.820 0.155 0.000 1.859 773 A HA -0.062 4.152 4.320 -0.177 0.000 0.212 773 A C 2.297 180.049 177.584 0.281 0.000 1.238 773 A CA 1.780 53.947 52.037 0.216 0.000 0.613 773 A CB -1.184 17.816 19.000 0.001 0.000 0.904 773 A HN 0.270 nan 8.150 nan 0.000 0.457 774 S N -2.351 113.438 115.700 0.148 0.000 2.439 774 S HA 0.383 4.747 4.470 -0.177 0.000 0.224 774 S C 1.551 176.234 174.600 0.138 0.000 1.029 774 S CA 1.288 59.562 58.200 0.122 0.000 0.946 774 S CB 0.032 63.252 63.200 0.033 0.000 0.797 774 S HN 1.982 nan 8.310 nan 0.000 0.504 775 G N 1.102 109.973 108.800 0.118 0.000 2.176 775 G HA2 -0.183 3.671 3.960 -0.177 0.000 0.232 775 G HA3 -0.183 3.671 3.960 -0.177 0.000 0.232 775 G C -0.193 174.712 174.900 0.009 0.000 0.986 775 G CA 0.072 45.255 45.100 0.138 0.000 0.643 775 G HN 0.558 nan 8.290 nan 0.000 0.522 776 E N 0.945 121.118 120.200 -0.046 0.000 2.374 776 E HA 0.323 4.567 4.350 -0.177 0.000 0.260 776 E C -2.597 173.972 176.600 -0.052 0.000 1.101 776 E CA -1.930 54.414 56.400 -0.092 0.000 0.907 776 E CB 0.565 30.213 29.700 -0.088 0.000 1.014 776 E HN 0.075 nan 8.360 nan 0.000 0.427 777 P HA -0.068 nan 4.420 nan 0.000 0.258 777 P C 0.429 177.728 177.300 -0.001 0.000 1.214 777 P CA 0.145 63.238 63.100 -0.011 0.000 0.872 777 P CB 0.073 31.797 31.700 0.039 0.000 0.890 778 L N 5.353 126.571 121.223 -0.007 0.000 1.973 778 L HA 0.042 4.277 4.340 -0.177 0.000 0.208 778 L C 0.998 177.888 176.870 0.034 0.000 1.073 778 L CA 1.504 56.349 54.840 0.008 0.000 0.746 778 L CB -1.316 40.748 42.059 0.010 0.000 0.891 778 L HN 0.220 nan 8.230 nan 0.000 0.433 779 A N 1.571 124.416 122.820 0.042 0.000 2.475 779 A HA 0.402 4.616 4.320 -0.177 0.000 0.293 779 A C -0.015 177.609 177.584 0.067 0.000 1.252 779 A CA -0.075 52.001 52.037 0.064 0.000 0.920 779 A CB -0.956 18.079 19.000 0.058 0.000 1.125 779 A HN 0.499 nan 8.150 nan 0.000 0.528 780 K N 1.757 122.202 120.400 0.076 0.000 2.555 780 K HA 0.625 4.839 4.320 -0.177 0.000 0.279 780 K C -3.370 173.281 176.600 0.086 0.000 0.986 780 K CA -2.246 54.087 56.287 0.077 0.000 0.880 780 K CB 0.780 33.320 32.500 0.067 0.000 1.474 780 K HN 0.113 nan 8.250 nan 0.000 0.433 781 P HA -0.101 nan 4.420 nan 0.000 0.261 781 P C -0.479 176.878 177.300 0.096 0.000 1.158 781 P CA 0.519 63.674 63.100 0.091 0.000 0.758 781 P CB 0.585 32.343 31.700 0.096 0.000 0.763 782 S N 2.972 118.741 115.700 0.115 0.000 2.877 782 S HA 0.224 4.588 4.470 -0.177 0.000 0.230 782 S C 1.108 175.769 174.600 0.101 0.000 0.999 782 S CA 0.069 58.335 58.200 0.109 0.000 0.866 782 S CB 0.366 63.645 63.200 0.133 0.000 0.819 782 S HN 0.399 nan 8.310 nan 0.000 0.607 783 R N 0.720 121.301 120.500 0.136 0.000 3.815 783 R HA 0.279 4.513 4.340 -0.177 0.000 0.133 783 R C 1.204 177.583 176.300 0.131 0.000 1.740 783 R CA 0.429 56.593 56.100 0.105 0.000 1.270 783 R CB -0.730 29.625 30.300 0.092 0.000 1.340 783 R HN 0.104 nan 8.270 nan 0.000 0.449 784 D N 1.923 122.433 120.400 0.184 0.000 2.116 784 D HA -0.161 4.373 4.640 -0.177 0.000 0.193 784 D C 1.891 178.377 176.300 0.310 0.000 0.998 784 D CA 1.458 55.585 54.000 0.212 0.000 0.836 784 D CB -0.303 40.610 40.800 0.188 0.000 0.951 784 D HN 0.194 nan 8.370 nan 0.000 0.449 785 I N 0.659 121.456 120.570 0.379 0.000 2.069 785 I HA -0.299 3.765 4.170 -0.177 0.000 0.237 785 I C 2.386 178.633 176.117 0.217 0.000 1.053 785 I CA 1.053 62.508 61.300 0.259 0.000 1.311 785 I CB -0.512 37.547 38.000 0.099 0.000 1.030 785 I HN 0.013 nan 8.210 nan 0.000 0.398 786 I N 0.310 120.980 120.570 0.168 0.000 2.065 786 I HA -0.398 3.666 4.170 -0.177 0.000 0.236 786 I C 2.654 178.878 176.117 0.177 0.000 1.028 786 I CA 1.586 62.975 61.300 0.148 0.000 1.299 786 I CB -0.704 37.350 38.000 0.090 0.000 1.015 786 I HN 0.256 nan 8.210 nan 0.000 0.396 787 L N 1.265 122.563 121.223 0.125 0.000 2.011 787 L HA -0.253 3.981 4.340 -0.177 0.000 0.225 787 L C 2.380 179.381 176.870 0.219 0.000 1.084 787 L CA 2.613 57.519 54.840 0.110 0.000 0.791 787 L CB -1.423 40.661 42.059 0.041 0.000 0.898 787 L HN 0.363 nan 8.230 nan 0.000 0.440 788 G N -0.761 108.188 108.800 0.248 0.000 2.679 788 G HA2 -0.329 3.525 3.960 -0.177 0.000 0.217 788 G HA3 -0.329 3.525 3.960 -0.177 0.000 0.217 788 G C 1.534 176.677 174.900 0.406 0.000 1.267 788 G CA 1.454 46.774 45.100 0.365 0.000 0.799 788 G HN 0.496 nan 8.290 nan 0.000 0.606 789 L N -0.836 120.611 121.223 0.373 0.000 2.011 789 L HA -0.284 3.950 4.340 -0.177 0.000 0.225 789 L C 2.614 179.572 176.870 0.146 0.000 1.084 789 L CA 2.289 57.303 54.840 0.291 0.000 0.791 789 L CB -1.018 41.182 42.059 0.235 0.000 0.898 789 L HN 0.344 nan 8.230 nan 0.000 0.440 790 Y N -0.432 119.889 120.300 0.035 0.000 2.069 790 Y HA -0.411 4.043 4.550 -0.160 0.000 0.278 790 Y C 2.683 178.572 175.900 -0.018 0.000 1.175 790 Y CA 1.983 60.056 58.100 -0.044 0.000 1.134 790 Y CB -0.635 37.791 38.460 -0.057 0.000 0.965 790 Y HN 0.117 nan 8.280 nan 0.000 0.498 791 Y N 0.932 121.271 120.300 0.065 0.000 1.974 791 Y HA -0.396 4.099 4.550 -0.092 0.000 0.255 791 Y C 2.722 178.548 175.900 -0.122 0.000 1.125 791 Y CA 2.207 60.291 58.100 -0.028 0.000 1.085 791 Y CB -1.361 37.131 38.460 0.052 0.000 0.957 791 Y HN 0.367 nan 8.280 nan 0.000 0.484 792 I N -0.437 120.063 120.570 -0.118 0.000 2.236 792 I HA -0.276 3.788 4.170 -0.177 0.000 0.249 792 I C 1.457 177.430 176.117 -0.241 0.000 1.102 792 I CA 2.407 63.529 61.300 -0.297 0.000 1.365 792 I CB -1.002 36.807 38.000 -0.319 0.000 1.051 792 I HN 0.480 nan 8.210 nan 0.000 0.420 793 T N -0.895 113.512 114.554 -0.246 0.000 3.500 793 T HA 0.283 4.527 4.350 -0.177 0.000 0.244 793 T C 0.159 174.633 174.700 -0.376 0.000 0.962 793 T CA -0.349 61.560 62.100 -0.318 0.000 0.932 793 T CB -0.245 68.351 68.868 -0.453 0.000 1.096 793 T HN 0.519 nan 8.240 nan 0.000 0.617 794 Q N 1.009 120.622 119.800 -0.312 0.000 2.484 794 Q HA 0.716 4.950 4.340 -0.177 0.000 0.285 794 Q C -0.667 175.311 176.000 -0.038 0.000 1.097 794 Q CA -0.907 54.742 55.803 -0.256 0.000 0.802 794 Q CB 2.250 30.738 28.738 -0.417 0.000 1.444 794 Q HN 0.293 nan 8.270 nan 0.000 0.429 795 V N -1.472 118.477 119.914 0.059 0.000 3.139 795 V HA 0.804 4.818 4.120 -0.177 0.000 0.310 795 V C -0.612 175.570 176.094 0.146 0.000 1.260 795 V CA -1.007 61.334 62.300 0.070 0.000 1.064 795 V CB 1.938 33.770 31.823 0.016 0.000 1.160 795 V HN 0.799 nan 8.190 nan 0.000 0.470 796 R N 0.061 120.579 120.500 0.031 0.000 2.930 796 R HA 0.858 5.092 4.340 -0.177 0.000 0.257 796 R C -1.462 174.848 176.300 0.017 0.000 1.107 796 R CA -1.061 55.037 56.100 -0.003 0.000 0.999 796 R CB 2.016 32.241 30.300 -0.124 0.000 1.209 796 R HN 0.865 nan 8.270 nan 0.000 0.486 797 K N 0.344 120.748 120.400 0.007 0.000 2.598 797 K HA 0.216 4.430 4.320 -0.177 0.000 0.271 797 K C -0.529 176.066 176.600 -0.008 0.000 0.947 797 K CA -0.735 55.559 56.287 0.012 0.000 0.854 797 K CB 2.376 34.898 32.500 0.038 0.000 1.401 797 K HN 0.603 nan 8.250 nan 0.000 0.415 798 E N 1.711 121.904 120.200 -0.012 0.000 3.875 798 E HA 0.130 4.374 4.350 -0.177 0.000 0.239 798 E C 0.665 177.251 176.600 -0.023 0.000 1.293 798 E CA 0.252 56.636 56.400 -0.026 0.000 1.646 798 E CB 0.330 30.008 29.700 -0.037 0.000 1.954 798 E HN 0.446 nan 8.360 nan 0.000 0.686 799 K N -0.043 120.348 120.400 -0.015 0.000 2.107 799 K HA 0.119 4.333 4.320 -0.177 0.000 0.211 799 K C 0.652 177.251 176.600 -0.002 0.000 1.024 799 K CA 0.670 56.950 56.287 -0.012 0.000 0.953 799 K CB -0.000 32.492 32.500 -0.012 0.000 0.831 799 K HN 0.066 nan 8.250 nan 0.000 0.454 800 K N -1.152 119.252 120.400 0.007 0.000 2.296 800 K HA 0.391 4.606 4.320 -0.177 0.000 0.243 800 K C 0.012 176.632 176.600 0.033 0.000 1.082 800 K CA -0.423 55.875 56.287 0.018 0.000 0.929 800 K CB 1.018 33.529 32.500 0.018 0.000 1.353 800 K HN 0.254 nan 8.250 nan 0.000 0.536 801 G N -1.170 107.659 108.800 0.048 0.000 5.609 801 G HA2 0.357 4.211 3.960 -0.177 0.000 0.195 801 G HA3 0.357 4.211 3.960 -0.177 0.000 0.195 801 G C -0.100 174.853 174.900 0.089 0.000 0.749 801 G CA 0.153 45.294 45.100 0.068 0.000 0.662 801 G HN 0.665 nan 8.290 nan 0.000 0.288 802 A N 0.262 123.139 122.820 0.096 0.000 2.411 802 A HA 0.690 4.904 4.320 -0.177 0.000 0.251 802 A C 1.292 178.998 177.584 0.202 0.000 1.317 802 A CA 0.547 52.651 52.037 0.112 0.000 0.904 802 A CB -0.119 18.923 19.000 0.070 0.000 0.993 802 A HN 0.769 nan 8.150 nan 0.000 0.504 803 G N -1.422 107.559 108.800 0.302 0.000 2.537 803 G HA2 0.456 4.310 3.960 -0.177 0.000 0.297 803 G HA3 0.456 4.310 3.960 -0.177 0.000 0.297 803 G C 0.407 175.486 174.900 0.299 0.000 1.310 803 G CA -0.747 44.707 45.100 0.591 0.000 1.027 803 G HN 0.215 nan 8.290 nan 0.000 0.505 804 L N 0.636 121.910 121.223 0.085 0.000 2.682 804 L HA 0.122 4.356 4.340 -0.177 0.000 0.240 804 L C 1.487 178.345 176.870 -0.019 0.000 1.178 804 L CA 1.208 56.022 54.840 -0.044 0.000 0.970 804 L CB -0.701 41.248 42.059 -0.182 0.000 1.179 804 L HN 1.056 nan 8.230 nan 0.000 0.435 805 E N -2.735 117.549 120.200 0.141 0.000 4.223 805 E HA -0.348 3.896 4.350 -0.177 0.000 0.379 805 E C 0.258 177.002 176.600 0.240 0.000 0.610 805 E CA 0.660 57.164 56.400 0.174 0.000 1.397 805 E CB -1.991 27.757 29.700 0.080 0.000 1.803 805 E HN 0.166 nan 8.360 nan 0.000 0.385 806 F N -1.161 118.768 119.950 -0.035 0.000 2.943 806 F HA -0.251 4.172 4.527 -0.173 0.000 0.258 806 F C 1.542 177.321 175.800 -0.034 0.000 0.995 806 F CA 1.089 59.053 58.000 -0.060 0.000 0.896 806 F CB -1.778 37.162 39.000 -0.100 0.000 0.821 806 F HN 0.471 nan 8.300 nan 0.000 0.828 807 A N -0.898 121.916 122.820 -0.011 0.000 2.044 807 A HA 0.175 4.389 4.320 -0.177 0.000 0.213 807 A C 1.866 179.426 177.584 -0.040 0.000 1.169 807 A CA 1.657 53.694 52.037 0.000 0.000 0.724 807 A CB -0.071 18.923 19.000 -0.010 0.000 0.840 807 A HN 0.606 nan 8.150 nan 0.000 0.463 808 T N -5.372 109.108 114.554 -0.124 0.000 3.168 808 T HA 0.241 4.485 4.350 -0.177 0.000 0.261 808 T C -1.989 172.527 174.700 -0.308 0.000 0.931 808 T CA -0.222 61.784 62.100 -0.156 0.000 0.949 808 T CB -1.411 67.379 68.868 -0.129 0.000 1.229 808 T HN 0.090 nan 8.240 nan 0.000 0.504 809 P HA -0.004 nan 4.420 nan 0.000 0.270 809 P C 0.565 177.367 177.300 -0.830 0.000 1.181 809 P CA 0.713 63.104 63.100 -1.182 0.000 0.767 809 P CB 0.527 30.658 31.700 -2.615 0.000 0.799 810 E N 0.748 120.715 120.200 -0.389 0.000 2.279 810 E HA -0.030 4.214 4.350 -0.177 0.000 0.199 810 E C 1.002 177.773 176.600 0.285 0.000 0.893 810 E CA 0.001 56.438 56.400 0.062 0.000 0.978 810 E CB -0.593 29.108 29.700 0.002 0.000 0.964 810 E HN 0.401 nan 8.360 nan 0.000 0.486 811 E N 1.670 122.049 120.200 0.298 0.000 2.444 811 E HA -0.232 4.012 4.350 -0.177 0.000 0.205 811 E C 1.818 178.592 176.600 0.290 0.000 1.054 811 E CA 0.925 57.530 56.400 0.343 0.000 0.873 811 E CB -0.331 29.696 29.700 0.546 0.000 0.793 811 E HN 0.433 nan 8.360 nan 0.000 0.549 812 A N 1.171 123.979 122.820 -0.020 0.000 1.929 812 A HA -0.104 4.110 4.320 -0.177 0.000 0.216 812 A C 2.099 179.647 177.584 -0.059 0.000 1.176 812 A CA 0.675 52.544 52.037 -0.279 0.000 0.628 812 A CB -0.462 18.062 19.000 -0.794 0.000 0.816 812 A HN 0.218 nan 8.150 nan 0.000 0.444 813 L N -1.912 119.318 121.223 0.012 0.000 2.186 813 L HA -0.384 3.850 4.340 -0.177 0.000 0.221 813 L C 2.336 179.201 176.870 -0.009 0.000 1.087 813 L CA 1.983 56.828 54.840 0.007 0.000 0.794 813 L CB -0.490 41.587 42.059 0.030 0.000 0.893 813 L HN 0.601 nan 8.230 nan 0.000 0.442 814 A N -2.986 119.842 122.820 0.013 0.000 1.485 814 A HA 0.407 4.621 4.320 -0.177 0.000 0.211 814 A C 1.993 179.593 177.584 0.028 0.000 1.759 814 A CA 0.565 52.603 52.037 0.003 0.000 1.385 814 A CB -0.860 18.141 19.000 0.001 0.000 1.293 814 A HN 0.118 nan 8.150 nan 0.000 0.400 815 A N 0.442 123.304 122.820 0.070 0.000 1.894 815 A HA -0.329 3.885 4.320 -0.177 0.000 0.220 815 A C 1.862 179.485 177.584 0.065 0.000 1.237 815 A CA 2.809 54.899 52.037 0.088 0.000 0.660 815 A CB -1.258 17.839 19.000 0.162 0.000 0.835 815 A HN 0.712 nan 8.150 nan 0.000 0.461 816 H N -1.226 117.797 119.070 -0.078 0.000 2.326 816 H HA -0.051 4.398 4.556 -0.178 0.000 0.301 816 H C 2.063 177.317 175.328 -0.125 0.000 1.081 816 H CA 1.494 57.456 56.048 -0.142 0.000 1.334 816 H CB -0.293 29.263 29.762 -0.343 0.000 1.385 816 H HN 0.741 nan 8.280 nan 0.000 0.504 817 E N 0.961 121.161 120.200 0.001 0.000 2.130 817 E HA -0.248 3.996 4.350 -0.177 0.000 0.196 817 E C 2.058 178.636 176.600 -0.037 0.000 0.998 817 E CA 1.031 57.407 56.400 -0.040 0.000 0.806 817 E CB 0.112 29.775 29.700 -0.061 0.000 0.738 817 E HN 0.425 nan 8.360 nan 0.000 0.459 818 R N -0.337 120.146 120.500 -0.028 0.000 2.103 818 R HA -0.156 4.078 4.340 -0.177 0.000 0.234 818 R C 2.613 178.889 176.300 -0.040 0.000 1.132 818 R CA 1.398 57.480 56.100 -0.030 0.000 0.925 818 R CB -0.970 29.316 30.300 -0.024 0.000 0.842 818 R HN 0.264 nan 8.270 nan 0.000 0.430 819 G N 1.568 110.332 108.800 -0.061 0.000 2.529 819 G HA2 -0.375 3.479 3.960 -0.177 0.000 0.219 819 G HA3 -0.375 3.479 3.960 -0.177 0.000 0.219 819 G C 1.324 176.192 174.900 -0.053 0.000 1.177 819 G CA 1.011 46.066 45.100 -0.076 0.000 0.773 819 G HN 0.332 nan 8.290 nan 0.000 0.573 820 E N 0.589 120.761 120.200 -0.047 0.000 2.026 820 E HA -0.166 4.078 4.350 -0.177 0.000 0.206 820 E C 2.827 179.417 176.600 -0.017 0.000 1.028 820 E CA 1.896 58.279 56.400 -0.028 0.000 0.845 820 E CB -0.789 28.898 29.700 -0.022 0.000 0.772 820 E HN 0.234 nan 8.360 nan 0.000 0.462 821 V N 1.628 121.531 119.914 -0.018 0.000 2.453 821 V HA -0.230 3.784 4.120 -0.177 0.000 0.252 821 V C 2.258 178.345 176.094 -0.012 0.000 1.068 821 V CA 1.741 64.035 62.300 -0.010 0.000 1.070 821 V CB -1.064 30.748 31.823 -0.017 0.000 0.664 821 V HN 0.405 nan 8.190 nan 0.000 0.461 822 A N 0.064 122.872 122.820 -0.020 0.000 2.233 822 A HA 0.264 4.478 4.320 -0.177 0.000 0.230 822 A C 1.155 178.727 177.584 -0.019 0.000 1.347 822 A CA 0.101 52.126 52.037 -0.021 0.000 1.087 822 A CB -0.910 18.073 19.000 -0.029 0.000 0.871 822 A HN 0.850 nan 8.150 nan 0.000 0.519 823 L N -1.266 119.949 121.223 -0.013 0.000 3.660 823 L HA -0.262 3.972 4.340 -0.177 0.000 0.440 823 L C 0.020 176.880 176.870 -0.016 0.000 1.262 823 L CA 1.266 56.100 54.840 -0.011 0.000 0.837 823 L CB -2.116 39.938 42.059 -0.009 0.000 1.689 823 L HN 0.643 nan 8.230 nan 0.000 0.890 824 N N 0.010 118.697 118.700 -0.022 0.000 3.261 824 N HA 0.472 5.106 4.740 -0.177 0.000 0.217 824 N C 0.510 176.005 175.510 -0.024 0.000 1.152 824 N CA 0.451 53.484 53.050 -0.028 0.000 1.153 824 N CB -0.174 38.285 38.487 -0.046 0.000 1.474 824 N HN 0.456 nan 8.380 nan 0.000 0.577 825 A N 3.056 125.858 122.820 -0.029 0.000 2.450 825 A HA 0.473 4.687 4.320 -0.177 0.000 0.255 825 A C -2.356 175.224 177.584 -0.006 0.000 1.096 825 A CA -0.686 51.339 52.037 -0.019 0.000 0.778 825 A CB -0.209 18.776 19.000 -0.025 0.000 1.031 825 A HN 0.107 nan 8.150 nan 0.000 0.494 826 P HA 0.230 nan 4.420 nan 0.000 0.278 826 P C 0.979 178.289 177.300 0.016 0.000 1.238 826 P CA -0.492 62.609 63.100 0.002 0.000 0.794 826 P CB 0.614 32.309 31.700 -0.008 0.000 0.955 827 I N 0.901 121.491 120.570 0.034 0.000 2.181 827 I HA -0.270 3.794 4.170 -0.177 0.000 0.247 827 I C 1.263 177.408 176.117 0.047 0.000 1.081 827 I CA 1.667 63.009 61.300 0.069 0.000 1.340 827 I CB -0.410 37.633 38.000 0.071 0.000 1.036 827 I HN 0.409 nan 8.210 nan 0.000 0.417 828 K N 1.423 121.834 120.400 0.017 0.000 2.562 828 K HA 0.453 4.667 4.320 -0.177 0.000 0.206 828 K C -0.747 175.860 176.600 0.011 0.000 1.033 828 K CA -0.424 55.872 56.287 0.015 0.000 1.029 828 K CB 0.344 32.846 32.500 0.003 0.000 1.393 828 K HN 0.145 nan 8.250 nan 0.000 0.539 829 V N -1.621 118.304 119.914 0.017 0.000 3.998 829 V HA 0.831 4.845 4.120 -0.177 0.000 0.297 829 V C -0.231 175.882 176.094 0.032 0.000 1.378 829 V CA -1.072 61.239 62.300 0.019 0.000 0.949 829 V CB 0.713 32.545 31.823 0.014 0.000 1.258 829 V HN 0.460 nan 8.190 nan 0.000 0.471 830 A N -0.115 122.728 122.820 0.039 0.000 2.294 830 A HA 0.849 5.063 4.320 -0.177 0.000 0.316 830 A C 0.300 177.935 177.584 0.084 0.000 1.359 830 A CA 0.451 52.521 52.037 0.056 0.000 0.956 830 A CB -0.417 18.614 19.000 0.051 0.000 1.155 830 A HN 1.569 nan 8.150 nan 0.000 0.544 831 G N 0.900 109.756 108.800 0.092 0.000 3.356 831 G HA2 0.563 4.417 3.960 -0.177 0.000 0.178 831 G HA3 0.563 4.417 3.960 -0.177 0.000 0.178 831 G C 0.469 175.431 174.900 0.104 0.000 1.130 831 G CA 0.384 45.572 45.100 0.146 0.000 0.800 831 G HN 0.709 nan 8.290 nan 0.000 0.669 832 R N -2.375 118.183 120.500 0.096 0.000 4.548 832 R HA 0.104 4.339 4.340 -0.177 0.000 0.077 832 R C 1.589 177.928 176.300 0.065 0.000 0.695 832 R CA 0.422 56.563 56.100 0.069 0.000 1.570 832 R CB -0.378 29.956 30.300 0.058 0.000 1.517 832 R HN 0.266 nan 8.270 nan 0.000 0.411 833 E N 1.093 121.335 120.200 0.069 0.000 2.478 833 E HA 0.022 4.266 4.350 -0.177 0.000 0.198 833 E C -0.033 176.609 176.600 0.070 0.000 1.046 833 E CA 1.179 57.617 56.400 0.063 0.000 0.870 833 E CB 0.474 30.209 29.700 0.059 0.000 0.818 833 E HN 0.524 nan 8.360 nan 0.000 0.527 834 T N -4.723 109.880 114.554 0.082 0.000 2.739 834 T HA 0.674 4.918 4.350 -0.177 0.000 0.303 834 T C -0.569 174.162 174.700 0.051 0.000 1.389 834 T CA -0.837 61.304 62.100 0.068 0.000 1.001 834 T CB 1.920 70.832 68.868 0.074 0.000 1.436 834 T HN -0.123 nan 8.240 nan 0.000 0.500 835 S N -0.706 115.009 115.700 0.024 0.000 2.565 835 S HA 0.520 4.884 4.470 -0.177 0.000 0.274 835 S C 0.929 175.530 174.600 0.002 0.000 1.144 835 S CA -0.130 58.075 58.200 0.009 0.000 0.849 835 S CB 1.169 64.386 63.200 0.029 0.000 1.103 835 S HN 1.137 nan 8.310 nan 0.000 0.455 836 V N 3.437 123.344 119.914 -0.010 0.000 2.299 836 V HA -0.316 3.698 4.120 -0.177 0.000 0.244 836 V C 2.759 178.888 176.094 0.058 0.000 1.002 836 V CA 2.721 65.022 62.300 0.003 0.000 1.067 836 V CB -1.648 30.194 31.823 0.032 0.000 0.712 836 V HN 1.207 nan 8.190 nan 0.000 0.505 837 G N -0.125 108.775 108.800 0.167 0.000 2.562 837 G HA2 -0.326 3.528 3.960 -0.177 0.000 0.223 837 G HA3 -0.326 3.528 3.960 -0.177 0.000 0.223 837 G C 1.464 176.521 174.900 0.263 0.000 1.102 837 G CA 1.216 46.537 45.100 0.368 0.000 0.742 837 G HN 0.612 nan 8.290 nan 0.000 0.587 838 R N -0.440 120.141 120.500 0.135 0.000 2.303 838 R HA -0.000 4.234 4.340 -0.177 0.000 0.225 838 R C 1.751 178.095 176.300 0.074 0.000 1.114 838 R CA 0.979 57.141 56.100 0.104 0.000 1.007 838 R CB -0.214 30.126 30.300 0.067 0.000 0.861 838 R HN 0.476 nan 8.270 nan 0.000 0.471 839 L N -1.808 119.437 121.223 0.036 0.000 2.678 839 L HA 0.156 4.390 4.340 -0.177 0.000 0.211 839 L C 2.035 178.831 176.870 -0.124 0.000 1.043 839 L CA -0.232 54.589 54.840 -0.032 0.000 0.881 839 L CB -0.456 41.572 42.059 -0.053 0.000 1.361 839 L HN -0.195 nan 8.230 nan 0.000 0.484 840 K N 0.872 121.148 120.400 -0.207 0.000 2.173 840 K HA -0.147 4.067 4.320 -0.177 0.000 0.207 840 K C -0.506 175.604 176.600 -0.817 0.000 1.046 840 K CA 1.514 57.476 56.287 -0.542 0.000 0.929 840 K CB -0.037 32.025 32.500 -0.730 0.000 0.720 840 K HN 0.235 nan 8.250 nan 0.000 0.453 841 Y N 0.155 120.413 120.300 -0.070 0.000 2.326 841 Y HA 0.351 4.825 4.550 -0.126 0.000 0.331 841 Y C -0.882 174.886 175.900 -0.219 0.000 0.962 841 Y CA -1.404 56.595 58.100 -0.169 0.000 1.167 841 Y CB 1.966 40.491 38.460 0.108 0.000 1.148 841 Y HN -0.190 nan 8.280 nan 0.000 0.463 842 V N 0.565 120.230 119.914 -0.415 0.000 2.524 842 V HA 0.621 4.635 4.120 -0.177 0.000 0.297 842 V C -1.293 174.511 176.094 -0.485 0.000 1.035 842 V CA -1.200 60.948 62.300 -0.255 0.000 0.867 842 V CB 0.793 32.528 31.823 -0.148 0.000 1.004 842 V HN 0.514 nan 8.190 nan 0.000 0.426 843 F N 3.277 123.259 119.950 0.053 0.000 2.388 843 F HA 0.787 5.221 4.527 -0.156 0.000 0.358 843 F C 1.471 177.292 175.800 0.035 0.000 1.122 843 F CA -0.143 57.881 58.000 0.040 0.000 1.056 843 F CB 2.055 41.076 39.000 0.036 0.000 1.155 843 F HN 0.695 nan 8.300 nan 0.000 0.461 844 A N 3.117 126.022 122.820 0.143 0.000 1.908 844 A HA -0.102 4.112 4.320 -0.177 0.000 0.218 844 A C 0.934 178.596 177.584 0.130 0.000 1.181 844 A CA 1.354 53.452 52.037 0.102 0.000 0.627 844 A CB -0.404 18.632 19.000 0.060 0.000 0.818 844 A HN 0.695 nan 8.150 nan 0.000 0.445 845 N N -1.982 116.812 118.700 0.156 0.000 2.457 845 N HA 0.399 5.033 4.740 -0.177 0.000 0.290 845 N C -2.499 173.076 175.510 0.108 0.000 1.232 845 N CA -1.804 51.322 53.050 0.128 0.000 0.852 845 N CB 0.711 39.256 38.487 0.097 0.000 1.313 845 N HN -0.159 nan 8.380 nan 0.000 0.522 846 P HA -0.018 nan 4.420 nan 0.000 0.211 846 P C 0.336 177.594 177.300 -0.070 0.000 1.188 846 P CA 1.224 64.281 63.100 -0.071 0.000 0.904 846 P CB 0.079 31.678 31.700 -0.168 0.000 0.765 847 D N 0.349 120.729 120.400 -0.033 0.000 2.200 847 D HA -0.273 4.261 4.640 -0.177 0.000 0.192 847 D C 1.817 178.113 176.300 -0.006 0.000 1.008 847 D CA 1.408 55.398 54.000 -0.016 0.000 0.872 847 D CB -1.306 39.503 40.800 0.016 0.000 0.923 847 D HN 0.302 nan 8.370 nan 0.000 0.447 848 E N 0.876 121.102 120.200 0.043 0.000 2.068 848 E HA -0.342 3.902 4.350 -0.177 0.000 0.207 848 E C 2.129 178.779 176.600 0.083 0.000 1.032 848 E CA 1.739 58.208 56.400 0.114 0.000 0.839 848 E CB -0.320 29.511 29.700 0.218 0.000 0.758 848 E HN 0.341 nan 8.360 nan 0.000 0.457 849 A N 1.350 124.097 122.820 -0.121 0.000 1.883 849 A HA -0.196 4.018 4.320 -0.177 0.000 0.217 849 A C 2.355 179.688 177.584 -0.417 0.000 1.186 849 A CA 1.610 53.160 52.037 -0.812 0.000 0.624 849 A CB -0.816 17.470 19.000 -1.190 0.000 0.822 849 A HN 0.359 nan 8.150 nan 0.000 0.444 850 L N -0.303 120.785 121.223 -0.224 0.000 1.990 850 L HA -0.274 3.960 4.340 -0.177 0.000 0.213 850 L C 2.647 179.488 176.870 -0.050 0.000 1.072 850 L CA 1.813 56.581 54.840 -0.119 0.000 0.755 850 L CB -0.972 41.056 42.059 -0.053 0.000 0.889 850 L HN 0.453 nan 8.230 nan 0.000 0.432 851 L N -0.364 120.852 121.223 -0.010 0.000 2.051 851 L HA -0.289 3.945 4.340 -0.177 0.000 0.214 851 L C 2.924 179.815 176.870 0.034 0.000 1.076 851 L CA 1.471 56.338 54.840 0.044 0.000 0.758 851 L CB -1.323 40.742 42.059 0.011 0.000 0.890 851 L HN 0.306 nan 8.230 nan 0.000 0.433 852 A N 0.752 123.560 122.820 -0.019 0.000 1.842 852 A HA -0.200 4.014 4.320 -0.177 0.000 0.217 852 A C 2.342 179.947 177.584 0.035 0.000 1.206 852 A CA 2.568 54.612 52.037 0.012 0.000 0.630 852 A CB -1.157 17.895 19.000 0.087 0.000 0.839 852 A HN 0.216 nan 8.150 nan 0.000 0.447 853 V N 0.042 119.934 119.914 -0.037 0.000 2.453 853 V HA -0.279 3.735 4.120 -0.177 0.000 0.252 853 V C 2.972 179.089 176.094 0.038 0.000 1.068 853 V CA 2.021 64.300 62.300 -0.034 0.000 1.070 853 V CB -1.653 30.117 31.823 -0.089 0.000 0.664 853 V HN 0.667 nan 8.190 nan 0.000 0.461 854 A N -0.336 122.537 122.820 0.089 0.000 1.908 854 A HA -0.255 3.959 4.320 -0.177 0.000 0.218 854 A C 1.871 179.549 177.584 0.156 0.000 1.181 854 A CA 2.080 54.196 52.037 0.131 0.000 0.627 854 A CB -0.783 18.331 19.000 0.190 0.000 0.818 854 A HN 0.677 nan 8.150 nan 0.000 0.445 855 H N -0.601 118.475 119.070 0.011 0.000 2.566 855 H HA 0.359 4.806 4.556 -0.182 0.000 0.280 855 H C 1.522 176.855 175.328 0.009 0.000 1.042 855 H CA -0.162 55.897 56.048 0.018 0.000 1.168 855 H CB -0.786 28.996 29.762 0.033 0.000 1.340 855 H HN 0.557 nan 8.280 nan 0.000 0.597 856 G N 1.710 110.567 108.800 0.094 0.000 2.379 856 G HA2 -0.325 3.529 3.960 -0.177 0.000 0.297 856 G HA3 -0.325 3.529 3.960 -0.177 0.000 0.297 856 G C 1.183 176.101 174.900 0.030 0.000 1.004 856 G CA 0.941 46.062 45.100 0.035 0.000 0.921 856 G HN 0.721 nan 8.290 nan 0.000 0.511 857 I N -3.760 116.837 120.570 0.045 0.000 3.728 857 I HA 0.535 4.599 4.170 -0.177 0.000 0.307 857 I C 0.313 176.384 176.117 -0.076 0.000 1.276 857 I CA -0.166 61.150 61.300 0.028 0.000 1.285 857 I CB 0.179 38.232 38.000 0.088 0.000 1.038 857 I HN 0.023 nan 8.210 nan 0.000 0.445 858 V N 0.531 120.377 119.914 -0.114 0.000 3.258 858 V HA 0.410 4.424 4.120 -0.177 0.000 0.299 858 V C -1.554 174.444 176.094 -0.160 0.000 1.376 858 V CA -0.877 61.298 62.300 -0.207 0.000 1.063 858 V CB 2.369 34.009 31.823 -0.305 0.000 1.103 858 V HN 0.121 nan 8.190 nan 0.000 0.451 859 D N 0.812 121.106 120.400 -0.178 0.000 2.340 859 D HA 0.498 5.032 4.640 -0.177 0.000 0.240 859 D C 0.908 177.096 176.300 -0.186 0.000 1.001 859 D CA -0.535 53.363 54.000 -0.169 0.000 0.888 859 D CB 2.521 43.215 40.800 -0.175 0.000 1.310 859 D HN 0.380 nan 8.370 nan 0.000 0.474 860 L N 0.438 121.541 121.223 -0.200 0.000 2.265 860 L HA -0.219 4.015 4.340 -0.177 0.000 0.215 860 L C 1.876 178.631 176.870 -0.191 0.000 1.117 860 L CA 1.178 55.895 54.840 -0.204 0.000 0.782 860 L CB -0.424 41.484 42.059 -0.251 0.000 0.914 860 L HN 0.199 nan 8.230 nan 0.000 0.441 861 Q N -0.269 119.408 119.800 -0.206 0.000 2.245 861 Q HA 0.008 4.242 4.340 -0.177 0.000 0.201 861 Q C 0.207 176.131 176.000 -0.127 0.000 0.955 861 Q CA 0.620 56.328 55.803 -0.159 0.000 0.870 861 Q CB -0.128 28.474 28.738 -0.228 0.000 0.945 861 Q HN 0.365 nan 8.270 nan 0.000 0.461 862 D N -0.259 120.055 120.400 -0.144 0.000 2.382 862 D HA 0.076 4.610 4.640 -0.177 0.000 0.245 862 D C -0.634 175.618 176.300 -0.081 0.000 1.120 862 D CA -0.027 53.903 54.000 -0.117 0.000 0.890 862 D CB 1.066 41.773 40.800 -0.155 0.000 1.201 862 D HN -0.176 nan 8.370 nan 0.000 0.433 863 V N 2.914 122.807 119.914 -0.036 0.000 2.406 863 V HA 0.350 4.364 4.120 -0.177 0.000 0.272 863 V C 0.577 176.700 176.094 0.048 0.000 1.043 863 V CA -0.380 61.922 62.300 0.004 0.000 0.915 863 V CB 1.216 33.052 31.823 0.021 0.000 0.988 863 V HN 0.251 nan 8.190 nan 0.000 0.466 864 V N 3.212 123.169 119.914 0.073 0.000 3.158 864 V HA 0.556 4.570 4.120 -0.177 0.000 0.311 864 V C -0.039 176.166 176.094 0.184 0.000 1.181 864 V CA -0.733 61.673 62.300 0.177 0.000 1.054 864 V CB 2.772 34.752 31.823 0.261 0.000 1.085 864 V HN 0.781 nan 8.190 nan 0.000 0.446 865 T N 1.673 116.375 114.554 0.247 0.000 2.771 865 T HA 0.718 4.962 4.350 -0.177 0.000 0.281 865 T C -0.685 174.178 174.700 0.272 0.000 0.982 865 T CA -0.283 61.935 62.100 0.197 0.000 0.978 865 T CB 1.170 70.115 68.868 0.129 0.000 0.930 865 T HN 0.447 nan 8.240 nan 0.000 0.447 866 V N 3.051 123.092 119.914 0.213 0.000 2.925 866 V HA 0.579 4.593 4.120 -0.177 0.000 0.311 866 V C -0.213 175.978 176.094 0.163 0.000 1.104 866 V CA -1.265 61.171 62.300 0.226 0.000 0.954 866 V CB 2.375 34.308 31.823 0.183 0.000 1.022 866 V HN 0.784 nan 8.190 nan 0.000 0.427 867 R N 2.652 123.246 120.500 0.156 0.000 2.229 867 R HA 0.481 4.715 4.340 -0.177 0.000 0.328 867 R C -2.152 174.257 176.300 0.181 0.000 1.009 867 R CA -0.294 55.880 56.100 0.123 0.000 0.864 867 R CB 1.027 31.377 30.300 0.083 0.000 1.085 867 R HN 0.738 nan 8.270 nan 0.000 0.453 868 Y N 6.119 126.400 120.300 -0.031 0.000 2.373 868 Y HA 0.252 4.703 4.550 -0.166 0.000 0.336 868 Y C -0.127 175.683 175.900 -0.151 0.000 0.979 868 Y CA -1.200 56.859 58.100 -0.068 0.000 1.080 868 Y CB 1.209 39.635 38.460 -0.056 0.000 1.190 868 Y HN 0.824 nan 8.280 nan 0.000 0.446 869 M N 5.124 124.455 119.600 -0.447 0.000 2.249 869 M HA -0.223 4.151 4.480 -0.177 0.000 0.198 869 M C 0.931 177.047 176.300 -0.307 0.000 0.394 869 M CA 1.347 56.334 55.300 -0.522 0.000 0.427 869 M CB -1.789 30.267 32.600 -0.906 0.000 1.307 869 M HN 1.252 nan 8.290 nan 0.000 0.924 870 G N 0.877 109.580 108.800 -0.161 0.000 2.249 870 G HA2 -0.299 3.555 3.960 -0.177 0.000 0.273 870 G HA3 -0.299 3.555 3.960 -0.177 0.000 0.273 870 G C -0.164 174.671 174.900 -0.109 0.000 1.036 870 G CA 1.006 46.043 45.100 -0.105 0.000 0.824 870 G HN 0.627 nan 8.290 nan 0.000 0.504 871 K N -0.295 120.041 120.400 -0.108 0.000 2.502 871 K HA 0.423 4.638 4.320 -0.177 0.000 0.254 871 K C 0.497 177.098 176.600 0.002 0.000 0.947 871 K CA -1.046 55.190 56.287 -0.085 0.000 0.834 871 K CB 0.760 33.148 32.500 -0.187 0.000 1.112 871 K HN 0.183 nan 8.250 nan 0.000 0.427 872 R N 6.544 127.055 120.500 0.018 0.000 2.441 872 R HA 0.148 4.382 4.340 -0.177 0.000 0.300 872 R C -0.667 175.676 176.300 0.071 0.000 1.284 872 R CA -0.094 56.035 56.100 0.049 0.000 1.069 872 R CB -0.189 30.133 30.300 0.036 0.000 1.087 872 R HN 0.523 nan 8.270 nan 0.000 0.519 873 L N 2.939 124.222 121.223 0.100 0.000 2.399 873 L HA 0.363 4.597 4.340 -0.177 0.000 0.265 873 L C 0.186 177.125 176.870 0.115 0.000 1.089 873 L CA -0.546 54.367 54.840 0.121 0.000 0.802 873 L CB 1.531 43.688 42.059 0.163 0.000 1.180 873 L HN 0.501 nan 8.230 nan 0.000 0.454 874 E N 1.460 121.724 120.200 0.107 0.000 2.255 874 E HA 0.385 4.629 4.350 -0.177 0.000 0.245 874 E C -1.056 175.595 176.600 0.085 0.000 0.909 874 E CA -0.173 56.284 56.400 0.094 0.000 0.747 874 E CB 1.647 31.396 29.700 0.081 0.000 1.215 874 E HN 0.669 nan 8.360 nan 0.000 0.424 875 T N -0.180 114.420 114.554 0.078 0.000 2.564 875 T HA 0.430 4.675 4.350 -0.177 0.000 0.265 875 T C -0.451 174.261 174.700 0.021 0.000 0.908 875 T CA -0.785 61.345 62.100 0.051 0.000 1.166 875 T CB 1.207 70.113 68.868 0.063 0.000 1.497 875 T HN 0.346 nan 8.240 nan 0.000 0.484 876 S N 0.030 115.723 115.700 -0.012 0.000 2.599 876 S HA 0.596 4.960 4.470 -0.177 0.000 0.287 876 S C -2.516 172.036 174.600 -0.080 0.000 1.105 876 S CA -1.432 56.736 58.200 -0.054 0.000 0.899 876 S CB 1.735 64.893 63.200 -0.071 0.000 1.100 876 S HN 0.277 nan 8.310 nan 0.000 0.482 877 P HA -0.015 nan 4.420 nan 0.000 0.213 877 P C 1.791 179.031 177.300 -0.100 0.000 1.170 877 P CA 2.152 65.163 63.100 -0.149 0.000 0.902 877 P CB -0.541 31.046 31.700 -0.189 0.000 0.789 878 G N 0.384 109.113 108.800 -0.117 0.000 2.599 878 G HA2 -0.339 3.515 3.960 -0.177 0.000 0.219 878 G HA3 -0.339 3.515 3.960 -0.177 0.000 0.219 878 G C 1.674 176.566 174.900 -0.013 0.000 1.193 878 G CA 1.148 46.188 45.100 -0.099 0.000 0.778 878 G HN 0.118 nan 8.290 nan 0.000 0.589 879 R N 0.135 120.612 120.500 -0.039 0.000 2.134 879 R HA -0.145 4.089 4.340 -0.177 0.000 0.248 879 R C 2.536 178.904 176.300 0.112 0.000 1.143 879 R CA 1.390 57.497 56.100 0.010 0.000 0.957 879 R CB -0.979 29.317 30.300 -0.008 0.000 0.867 879 R HN 0.411 nan 8.270 nan 0.000 0.441 880 I N 0.725 121.318 120.570 0.039 0.000 2.110 880 I HA -0.245 3.819 4.170 -0.177 0.000 0.236 880 I C 2.519 178.646 176.117 0.015 0.000 1.068 880 I CA 0.717 62.014 61.300 -0.005 0.000 1.333 880 I CB -1.513 36.425 38.000 -0.104 0.000 1.054 880 I HN 0.105 nan 8.210 nan 0.000 0.402 881 L N 1.455 122.694 121.223 0.027 0.000 1.997 881 L HA -0.323 3.911 4.340 -0.177 0.000 0.227 881 L C 2.555 179.486 176.870 0.102 0.000 1.087 881 L CA 2.101 56.985 54.840 0.074 0.000 0.797 881 L CB -1.508 40.634 42.059 0.139 0.000 0.902 881 L HN 0.245 nan 8.230 nan 0.000 0.441 882 F N 0.490 120.453 119.950 0.022 0.000 2.037 882 F HA -0.389 4.030 4.527 -0.180 0.000 0.296 882 F C 2.368 178.149 175.800 -0.030 0.000 1.132 882 F CA 2.796 60.801 58.000 0.008 0.000 1.211 882 F CB -1.258 37.744 39.000 0.004 0.000 0.951 882 F HN 0.278 nan 8.300 nan 0.000 0.503 883 A N 0.895 123.708 122.820 -0.011 0.000 1.881 883 A HA -0.360 3.854 4.320 -0.177 0.000 0.219 883 A C 2.407 179.899 177.584 -0.153 0.000 1.215 883 A CA 2.764 54.743 52.037 -0.097 0.000 0.648 883 A CB -1.312 17.753 19.000 0.109 0.000 0.832 883 A HN 0.652 nan 8.150 nan 0.000 0.455 884 R N -0.060 120.375 120.500 -0.108 0.000 2.132 884 R HA -0.196 4.038 4.340 -0.177 0.000 0.233 884 R C 2.025 178.227 176.300 -0.163 0.000 1.125 884 R CA 2.387 58.429 56.100 -0.097 0.000 0.914 884 R CB -0.798 29.461 30.300 -0.069 0.000 0.845 884 R HN 0.498 nan 8.270 nan 0.000 0.431 885 I N 0.980 121.410 120.570 -0.234 0.000 2.210 885 I HA -0.417 3.647 4.170 -0.177 0.000 0.249 885 I C 2.420 178.297 176.117 -0.400 0.000 1.047 885 I CA 1.907 62.947 61.300 -0.433 0.000 1.323 885 I CB -0.526 37.107 38.000 -0.611 0.000 1.017 885 I HN 0.189 nan 8.210 nan 0.000 0.427 886 V N 0.792 120.467 119.914 -0.398 0.000 2.232 886 V HA -0.243 3.771 4.120 -0.177 0.000 0.239 886 V C 2.734 178.728 176.094 -0.166 0.000 1.040 886 V CA 1.983 64.089 62.300 -0.323 0.000 0.996 886 V CB -1.168 30.415 31.823 -0.400 0.000 0.638 886 V HN 0.519 nan 8.190 nan 0.000 0.453 887 A N -0.279 122.482 122.820 -0.099 0.000 2.009 887 A HA -0.287 3.927 4.320 -0.177 0.000 0.222 887 A C 2.105 179.672 177.584 -0.029 0.000 1.175 887 A CA 2.084 54.108 52.037 -0.021 0.000 0.651 887 A CB -0.554 18.476 19.000 0.050 0.000 0.815 887 A HN 0.649 nan 8.150 nan 0.000 0.459 888 E N -0.192 119.973 120.200 -0.058 0.000 2.013 888 E HA -0.235 4.009 4.350 -0.177 0.000 0.202 888 E C 2.432 179.009 176.600 -0.038 0.000 1.018 888 E CA 1.449 57.823 56.400 -0.044 0.000 0.834 888 E CB -0.844 28.809 29.700 -0.078 0.000 0.770 888 E HN 0.610 nan 8.360 nan 0.000 0.459 889 A N 1.373 124.148 122.820 -0.074 0.000 1.940 889 A HA -0.157 4.057 4.320 -0.177 0.000 0.219 889 A C 2.476 180.045 177.584 -0.027 0.000 1.176 889 A CA 2.132 54.141 52.037 -0.046 0.000 0.631 889 A CB -0.697 18.257 19.000 -0.076 0.000 0.814 889 A HN 0.221 nan 8.150 nan 0.000 0.446 890 V N -4.098 115.794 119.914 -0.036 0.000 3.541 890 V HA 0.104 4.118 4.120 -0.177 0.000 0.267 890 V C 0.458 176.546 176.094 -0.009 0.000 1.213 890 V CA 0.950 63.237 62.300 -0.022 0.000 1.149 890 V CB -0.556 31.250 31.823 -0.028 0.000 0.822 890 V HN 0.487 nan 8.190 nan 0.000 0.462 891 E N 0.398 120.595 120.200 -0.004 0.000 3.065 891 E HA -0.241 4.003 4.350 -0.177 0.000 0.277 891 E C 0.143 176.749 176.600 0.010 0.000 1.008 891 E CA 1.494 57.898 56.400 0.006 0.000 0.864 891 E CB -2.039 27.664 29.700 0.006 0.000 1.439 891 E HN 0.924 nan 8.360 nan 0.000 0.445 892 D N -0.064 120.344 120.400 0.013 0.000 2.330 892 D HA 0.152 4.686 4.640 -0.177 0.000 0.249 892 D C 0.811 177.138 176.300 0.046 0.000 1.306 892 D CA -0.165 53.849 54.000 0.023 0.000 0.956 892 D CB 0.662 41.471 40.800 0.015 0.000 1.261 892 D HN 0.098 nan 8.370 nan 0.000 0.544 893 E N 2.790 123.027 120.200 0.061 0.000 2.160 893 E HA -0.214 4.030 4.350 -0.177 0.000 0.195 893 E C 1.120 177.798 176.600 0.131 0.000 0.991 893 E CA 1.117 57.581 56.400 0.108 0.000 0.810 893 E CB 0.409 30.172 29.700 0.105 0.000 0.742 893 E HN 0.228 nan 8.360 nan 0.000 0.466 894 K N 0.304 120.754 120.400 0.083 0.000 1.987 894 K HA -0.108 4.106 4.320 -0.177 0.000 0.222 894 K C 2.204 178.892 176.600 0.148 0.000 1.029 894 K CA 1.254 57.599 56.287 0.096 0.000 1.011 894 K CB -1.177 31.353 32.500 0.050 0.000 0.769 894 K HN 0.077 nan 8.250 nan 0.000 0.444 895 V N 2.370 122.339 119.914 0.092 0.000 2.357 895 V HA -0.352 3.662 4.120 -0.177 0.000 0.257 895 V C 2.498 178.639 176.094 0.077 0.000 1.082 895 V CA 2.244 64.588 62.300 0.074 0.000 1.078 895 V CB -1.269 30.574 31.823 0.033 0.000 0.663 895 V HN 0.471 nan 8.190 nan 0.000 0.455 896 A N -0.495 122.374 122.820 0.082 0.000 1.852 896 A HA -0.345 3.869 4.320 -0.177 0.000 0.217 896 A C 1.929 179.569 177.584 0.094 0.000 1.215 896 A CA 2.499 54.573 52.037 0.062 0.000 0.641 896 A CB -1.301 17.743 19.000 0.074 0.000 0.838 896 A HN 0.717 nan 8.150 nan 0.000 0.450 897 W N 1.174 122.506 121.300 0.053 0.000 2.325 897 W HA -0.209 4.340 4.660 -0.185 0.000 0.299 897 W C 2.081 178.638 176.519 0.063 0.000 1.215 897 W CA 2.104 59.503 57.345 0.089 0.000 1.244 897 W CB -0.147 29.377 29.460 0.105 0.000 1.140 897 W HN 0.580 nan 8.180 nan 0.000 0.523 898 E N -0.328 119.961 120.200 0.149 0.000 2.265 898 E HA -0.148 4.096 4.350 -0.177 0.000 0.196 898 E C 1.060 177.595 176.600 -0.108 0.000 0.996 898 E CA 0.759 57.180 56.400 0.035 0.000 0.832 898 E CB -0.433 29.341 29.700 0.124 0.000 0.756 898 E HN 0.289 nan 8.360 nan 0.000 0.491 899 L N 1.816 122.982 121.223 -0.096 0.000 3.084 899 L HA 0.391 4.625 4.340 -0.177 0.000 0.238 899 L C -0.253 176.559 176.870 -0.097 0.000 1.327 899 L CA -0.184 54.610 54.840 -0.077 0.000 1.094 899 L CB -0.006 42.038 42.059 -0.026 0.000 1.477 899 L HN -0.002 nan 8.230 nan 0.000 0.514 900 I N -0.550 119.895 120.570 -0.209 0.000 2.769 900 I HA 0.237 4.301 4.170 -0.177 0.000 0.298 900 I C -0.026 175.991 176.117 -0.167 0.000 1.128 900 I CA -0.669 60.545 61.300 -0.145 0.000 1.031 900 I CB 2.621 40.534 38.000 -0.145 0.000 1.235 900 I HN 0.062 nan 8.210 nan 0.000 0.423 901 Q N 3.941 123.701 119.800 -0.066 0.000 2.579 901 Q HA 0.136 4.370 4.340 -0.177 0.000 0.344 901 Q C 1.123 177.073 176.000 -0.083 0.000 0.997 901 Q CA -0.345 55.410 55.803 -0.080 0.000 0.991 901 Q CB 0.294 28.996 28.738 -0.060 0.000 1.279 901 Q HN 0.582 nan 8.270 nan 0.000 0.420 902 L N 0.744 121.914 121.223 -0.088 0.000 2.283 902 L HA -0.188 4.046 4.340 -0.177 0.000 0.217 902 L C 0.367 177.223 176.870 -0.023 0.000 1.104 902 L CA 1.871 56.694 54.840 -0.029 0.000 0.772 902 L CB 0.141 42.203 42.059 0.005 0.000 0.899 902 L HN 0.128 nan 8.230 nan 0.000 0.439 903 D N 0.119 120.499 120.400 -0.034 0.000 2.895 903 D HA 0.328 4.862 4.640 -0.177 0.000 0.258 903 D C -0.501 175.770 176.300 -0.049 0.000 1.311 903 D CA 0.434 54.420 54.000 -0.023 0.000 0.843 903 D CB 0.215 41.019 40.800 0.005 0.000 1.055 903 D HN 0.210 nan 8.370 nan 0.000 0.486 904 V N -3.397 116.462 119.914 -0.091 0.000 3.177 904 V HA 0.463 4.477 4.120 -0.177 0.000 0.287 904 V C -3.146 172.829 176.094 -0.199 0.000 1.465 904 V CA -2.236 59.996 62.300 -0.113 0.000 1.020 904 V CB 2.078 33.852 31.823 -0.082 0.000 1.152 904 V HN -0.266 nan 8.190 nan 0.000 0.448 905 P HA 0.300 nan 4.420 nan 0.000 0.272 905 P C -0.961 176.150 177.300 -0.315 0.000 1.223 905 P CA 0.052 62.895 63.100 -0.429 0.000 0.784 905 P CB 0.354 31.636 31.700 -0.697 0.000 0.923 906 Q N 2.089 121.669 119.800 -0.365 0.000 2.259 906 Q HA 0.379 4.613 4.340 -0.177 0.000 0.249 906 Q C 0.234 176.259 176.000 0.042 0.000 0.914 906 Q CA -0.026 55.636 55.803 -0.235 0.000 0.904 906 Q CB 1.206 29.687 28.738 -0.429 0.000 1.213 906 Q HN 0.538 nan 8.270 nan 0.000 0.428 907 E N -0.236 120.002 120.200 0.064 0.000 2.449 907 E HA 0.296 4.541 4.350 -0.177 0.000 0.278 907 E C 0.132 176.769 176.600 0.061 0.000 1.059 907 E CA -0.861 55.606 56.400 0.112 0.000 0.854 907 E CB 0.732 30.509 29.700 0.129 0.000 1.465 907 E HN 0.284 nan 8.360 nan 0.000 0.462 908 K N 0.384 120.809 120.400 0.043 0.000 2.008 908 K HA -0.380 3.834 4.320 -0.177 0.000 0.233 908 K C 1.320 177.944 176.600 0.040 0.000 0.945 908 K CA 2.880 59.188 56.287 0.036 0.000 1.024 908 K CB -0.648 31.861 32.500 0.014 0.000 0.687 908 K HN 0.598 nan 8.250 nan 0.000 0.545 909 N N 0.464 119.179 118.700 0.026 0.000 2.005 909 N HA -0.260 4.374 4.740 -0.177 0.000 0.199 909 N C 1.984 177.515 175.510 0.035 0.000 1.054 909 N CA 2.140 55.204 53.050 0.023 0.000 0.864 909 N CB -1.054 37.439 38.487 0.011 0.000 1.063 909 N HN 0.587 nan 8.380 nan 0.000 0.428 910 S N 2.080 117.796 115.700 0.028 0.000 2.406 910 S HA -0.231 4.134 4.470 -0.177 0.000 0.242 910 S C 2.217 176.853 174.600 0.060 0.000 1.079 910 S CA 1.623 59.839 58.200 0.026 0.000 1.133 910 S CB -1.123 62.073 63.200 -0.006 0.000 1.005 910 S HN 0.336 nan 8.310 nan 0.000 0.443 911 L N 1.571 122.838 121.223 0.073 0.000 1.955 911 L HA -0.139 4.095 4.340 -0.177 0.000 0.213 911 L C 2.894 179.827 176.870 0.105 0.000 1.072 911 L CA 2.130 57.038 54.840 0.114 0.000 0.755 911 L CB -0.879 41.249 42.059 0.116 0.000 0.888 911 L HN 0.401 nan 8.230 nan 0.000 0.432 912 K N 0.458 120.908 120.400 0.083 0.000 2.023 912 K HA -0.316 3.898 4.320 -0.177 0.000 0.227 912 K C 1.778 178.443 176.600 0.109 0.000 1.054 912 K CA 2.600 58.934 56.287 0.079 0.000 0.977 912 K CB -0.410 32.117 32.500 0.045 0.000 0.733 912 K HN 0.364 nan 8.250 nan 0.000 0.451 913 D N 0.841 121.297 120.400 0.094 0.000 2.126 913 D HA -0.231 4.303 4.640 -0.177 0.000 0.190 913 D C 2.033 178.429 176.300 0.160 0.000 1.001 913 D CA 1.615 55.693 54.000 0.130 0.000 0.841 913 D CB -0.496 40.354 40.800 0.083 0.000 0.949 913 D HN 0.276 nan 8.370 nan 0.000 0.446 914 L N 1.464 122.760 121.223 0.121 0.000 1.997 914 L HA -0.203 4.031 4.340 -0.177 0.000 0.216 914 L C 2.337 179.279 176.870 0.120 0.000 1.074 914 L CA 1.582 56.490 54.840 0.113 0.000 0.763 914 L CB -0.995 41.145 42.059 0.134 0.000 0.890 914 L HN -0.096 nan 8.230 nan 0.000 0.434 915 V N -0.612 119.384 119.914 0.136 0.000 2.219 915 V HA -0.380 3.634 4.120 -0.177 0.000 0.248 915 V C 2.338 178.547 176.094 0.192 0.000 1.053 915 V CA 2.336 64.723 62.300 0.146 0.000 1.009 915 V CB -1.222 30.684 31.823 0.139 0.000 0.636 915 V HN 0.701 nan 8.190 nan 0.000 0.445 916 Y N 1.086 121.437 120.300 0.085 0.000 2.029 916 Y HA -0.373 4.070 4.550 -0.178 0.000 0.269 916 Y C 2.723 178.724 175.900 0.167 0.000 1.201 916 Y CA 2.343 60.504 58.100 0.102 0.000 1.115 916 Y CB -0.792 37.695 38.460 0.045 0.000 0.945 916 Y HN 0.259 nan 8.280 nan 0.000 0.497 917 Q N 0.346 120.136 119.800 -0.016 0.000 2.029 917 Q HA -0.290 3.944 4.340 -0.177 0.000 0.209 917 Q C 2.578 178.537 176.000 -0.067 0.000 0.999 917 Q CA 1.908 57.647 55.803 -0.106 0.000 0.857 917 Q CB -1.477 27.268 28.738 0.012 0.000 0.926 917 Q HN 0.649 nan 8.270 nan 0.000 0.415 918 A N 0.898 123.727 122.820 0.016 0.000 1.873 918 A HA -0.280 3.934 4.320 -0.177 0.000 0.219 918 A C 2.011 179.604 177.584 0.014 0.000 1.269 918 A CA 2.110 54.160 52.037 0.021 0.000 0.671 918 A CB -1.444 17.592 19.000 0.061 0.000 0.842 918 A HN 0.425 nan 8.150 nan 0.000 0.460 919 F N 0.363 120.273 119.950 -0.067 0.000 2.111 919 F HA -0.261 4.160 4.527 -0.178 0.000 0.300 919 F C 1.881 177.607 175.800 -0.124 0.000 1.088 919 F CA 2.160 60.120 58.000 -0.067 0.000 1.243 919 F CB -0.237 38.751 39.000 -0.020 0.000 0.996 919 F HN 0.219 nan 8.300 nan 0.000 0.483 920 L N -0.516 120.669 121.223 -0.063 0.000 1.947 920 L HA -0.166 4.068 4.340 -0.177 0.000 0.211 920 L C 2.696 179.468 176.870 -0.163 0.000 1.098 920 L CA 0.880 55.622 54.840 -0.163 0.000 0.767 920 L CB -0.922 40.973 42.059 -0.274 0.000 0.891 920 L HN -0.083 nan 8.230 nan 0.000 0.436 921 R N 0.643 121.071 120.500 -0.120 0.000 2.224 921 R HA -0.185 4.049 4.340 -0.177 0.000 0.255 921 R C 0.679 176.922 176.300 -0.095 0.000 1.130 921 R CA 1.558 57.609 56.100 -0.082 0.000 0.957 921 R CB -1.574 28.693 30.300 -0.054 0.000 0.907 921 R HN 0.349 nan 8.270 nan 0.000 0.446 922 L N -1.568 119.586 121.223 -0.115 0.000 2.323 922 L HA 0.511 4.745 4.340 -0.177 0.000 0.265 922 L C 1.024 177.770 176.870 -0.206 0.000 1.012 922 L CA -0.895 53.871 54.840 -0.124 0.000 0.820 922 L CB 1.341 43.351 42.059 -0.082 0.000 1.334 922 L HN 0.106 nan 8.230 nan 0.000 0.427 923 G N 0.553 109.233 108.800 -0.199 0.000 2.945 923 G HA2 -0.044 3.810 3.960 -0.177 0.000 0.248 923 G HA3 -0.044 3.810 3.960 -0.177 0.000 0.248 923 G C 0.870 175.565 174.900 -0.342 0.000 1.250 923 G CA 0.209 45.146 45.100 -0.271 0.000 0.886 923 G HN 0.893 nan 8.290 nan 0.000 0.609 924 M N -1.046 118.307 119.600 -0.411 0.000 2.160 924 M HA 0.028 4.402 4.480 -0.177 0.000 0.264 924 M C 2.175 178.444 176.300 -0.052 0.000 1.073 924 M CA 1.989 57.103 55.300 -0.310 0.000 1.142 924 M CB -0.674 31.795 32.600 -0.219 0.000 1.358 924 M HN 0.734 nan 8.290 nan 0.000 0.422 925 E N 1.877 122.043 120.200 -0.056 0.000 2.070 925 E HA -0.272 3.972 4.350 -0.177 0.000 0.197 925 E C 2.081 178.690 176.600 0.015 0.000 1.004 925 E CA 1.877 58.282 56.400 0.007 0.000 0.805 925 E CB -0.679 29.014 29.700 -0.013 0.000 0.744 925 E HN 0.689 nan 8.360 nan 0.000 0.451 926 K N 0.861 121.251 120.400 -0.018 0.000 2.103 926 K HA -0.137 4.077 4.320 -0.177 0.000 0.207 926 K C 2.197 178.804 176.600 0.012 0.000 1.048 926 K CA 1.896 58.179 56.287 -0.006 0.000 0.930 926 K CB -0.174 32.309 32.500 -0.028 0.000 0.716 926 K HN 0.095 nan 8.250 nan 0.000 0.444 927 T N 0.917 115.478 114.554 0.013 0.000 2.665 927 T HA -0.235 4.009 4.350 -0.177 0.000 0.268 927 T C 1.841 176.586 174.700 0.076 0.000 1.035 927 T CA 1.578 63.711 62.100 0.054 0.000 1.151 927 T CB -0.497 68.439 68.868 0.114 0.000 0.862 927 T HN 0.468 nan 8.240 nan 0.000 0.438 928 A N 1.967 124.842 122.820 0.092 0.000 1.884 928 A HA -0.263 3.951 4.320 -0.177 0.000 0.219 928 A C 2.327 179.962 177.584 0.084 0.000 1.197 928 A CA 2.163 54.260 52.037 0.099 0.000 0.637 928 A CB -0.733 18.337 19.000 0.117 0.000 0.827 928 A HN 0.499 nan 8.150 nan 0.000 0.450 929 R N -1.210 119.334 120.500 0.073 0.000 2.133 929 R HA -0.229 4.005 4.340 -0.177 0.000 0.245 929 R C 2.175 178.504 176.300 0.049 0.000 1.137 929 R CA 1.727 57.866 56.100 0.066 0.000 0.947 929 R CB -0.912 29.415 30.300 0.045 0.000 0.865 929 R HN 0.537 nan 8.270 nan 0.000 0.437 930 L N 1.399 122.638 121.223 0.027 0.000 1.963 930 L HA -0.241 3.993 4.340 -0.177 0.000 0.220 930 L C 2.077 178.956 176.870 0.016 0.000 1.076 930 L CA 1.801 56.640 54.840 -0.002 0.000 0.772 930 L CB -0.705 41.353 42.059 -0.001 0.000 0.892 930 L HN 0.174 nan 8.230 nan 0.000 0.435 931 L N -0.365 120.886 121.223 0.047 0.000 1.980 931 L HA -0.385 3.849 4.340 -0.177 0.000 0.232 931 L C 2.424 179.332 176.870 0.063 0.000 1.092 931 L CA 2.119 56.995 54.840 0.060 0.000 0.808 931 L CB -1.362 40.742 42.059 0.074 0.000 0.908 931 L HN 0.429 nan 8.230 nan 0.000 0.442 932 D N -0.102 120.351 120.400 0.090 0.000 2.154 932 D HA -0.296 4.238 4.640 -0.177 0.000 0.190 932 D C 2.102 178.477 176.300 0.124 0.000 1.003 932 D CA 1.866 55.934 54.000 0.114 0.000 0.849 932 D CB -0.160 40.718 40.800 0.131 0.000 0.942 932 D HN 0.472 nan 8.370 nan 0.000 0.446 933 A N 1.353 124.233 122.820 0.101 0.000 1.869 933 A HA -0.237 3.977 4.320 -0.177 0.000 0.218 933 A C 2.507 180.123 177.584 0.053 0.000 1.203 933 A CA 1.765 53.850 52.037 0.080 0.000 0.638 933 A CB -1.102 17.845 19.000 -0.088 0.000 0.831 933 A HN 0.229 nan 8.150 nan 0.000 0.450 934 L N -0.247 120.966 121.223 -0.017 0.000 1.956 934 L HA -0.312 3.922 4.340 -0.177 0.000 0.216 934 L C 2.615 179.506 176.870 0.035 0.000 1.073 934 L CA 2.358 57.202 54.840 0.007 0.000 0.762 934 L CB -0.828 41.250 42.059 0.031 0.000 0.889 934 L HN 0.593 nan 8.230 nan 0.000 0.433 935 K N -0.058 120.326 120.400 -0.026 0.000 2.030 935 K HA -0.346 3.868 4.320 -0.177 0.000 0.222 935 K C 2.213 178.662 176.600 -0.253 0.000 1.056 935 K CA 2.555 58.695 56.287 -0.246 0.000 0.957 935 K CB -0.837 31.561 32.500 -0.169 0.000 0.727 935 K HN 0.401 nan 8.250 nan 0.000 0.452 936 Y N 0.032 120.257 120.300 -0.124 0.000 1.940 936 Y HA -0.420 4.029 4.550 -0.169 0.000 0.250 936 Y C 2.378 178.268 175.900 -0.017 0.000 1.132 936 Y CA 2.044 60.132 58.100 -0.020 0.000 1.079 936 Y CB -0.555 37.991 38.460 0.145 0.000 0.940 936 Y HN 0.190 nan 8.280 nan 0.000 0.490 937 Y N 0.450 120.616 120.300 -0.224 0.000 2.081 937 Y HA -0.225 4.214 4.550 -0.184 0.000 0.280 937 Y C 2.804 178.533 175.900 -0.284 0.000 1.163 937 Y CA 1.125 58.891 58.100 -0.556 0.000 1.135 937 Y CB -1.496 36.636 38.460 -0.546 0.000 0.970 937 Y HN 0.335 nan 8.280 nan 0.000 0.498 938 G N -0.481 108.402 108.800 0.138 0.000 2.556 938 G HA2 -0.299 3.555 3.960 -0.177 0.000 0.220 938 G HA3 -0.299 3.555 3.960 -0.177 0.000 0.220 938 G C 1.749 176.861 174.900 0.353 0.000 1.156 938 G CA 1.271 46.510 45.100 0.232 0.000 0.766 938 G HN 0.427 nan 8.290 nan 0.000 0.583 939 F N 1.394 121.406 119.950 0.104 0.000 2.022 939 F HA -0.155 4.264 4.527 -0.180 0.000 0.293 939 F C 3.356 179.187 175.800 0.052 0.000 1.142 939 F CA 1.425 59.471 58.000 0.076 0.000 1.177 939 F CB -0.881 38.160 39.000 0.068 0.000 0.982 939 F HN 0.253 nan 8.300 nan 0.000 0.473 940 T N -0.305 114.385 114.554 0.228 0.000 2.635 940 T HA -0.363 3.881 4.350 -0.177 0.000 0.265 940 T C 1.624 176.412 174.700 0.146 0.000 1.058 940 T CA 1.988 64.125 62.100 0.061 0.000 1.162 940 T CB -1.579 67.171 68.868 -0.197 0.000 0.859 940 T HN 0.241 nan 8.240 nan 0.000 0.449 941 F N 2.448 122.476 119.950 0.129 0.000 2.026 941 F HA -0.187 4.263 4.527 -0.129 0.000 0.296 941 F C 3.324 179.183 175.800 0.098 0.000 1.133 941 F CA 1.129 59.212 58.000 0.138 0.000 1.188 941 F CB -0.681 38.437 39.000 0.197 0.000 0.968 941 F HN 0.349 nan 8.300 nan 0.000 0.476 942 S N 0.125 116.015 115.700 0.317 0.000 2.390 942 S HA -0.306 4.058 4.470 -0.177 0.000 0.234 942 S C 1.784 176.413 174.600 0.048 0.000 1.063 942 S CA 2.135 60.410 58.200 0.125 0.000 1.108 942 S CB -1.531 61.744 63.200 0.125 0.000 0.975 942 S HN 0.396 nan 8.310 nan 0.000 0.442 943 T N 2.587 117.179 114.554 0.064 0.000 2.570 943 T HA -0.188 4.056 4.350 -0.177 0.000 0.266 943 T C 2.344 177.063 174.700 0.032 0.000 1.071 943 T CA 2.709 64.820 62.100 0.020 0.000 1.172 943 T CB -1.645 67.234 68.868 0.017 0.000 0.864 943 T HN 0.904 nan 8.240 nan 0.000 0.421 944 T N 1.450 116.055 114.554 0.085 0.000 2.833 944 T HA -0.151 4.093 4.350 -0.177 0.000 0.269 944 T C 2.132 176.871 174.700 0.065 0.000 1.054 944 T CA 1.790 63.944 62.100 0.090 0.000 1.135 944 T CB -0.915 68.043 68.868 0.150 0.000 0.869 944 T HN 0.493 nan 8.240 nan 0.000 0.466 945 S N 1.649 117.362 115.700 0.021 0.000 2.462 945 S HA -0.025 4.339 4.470 -0.177 0.000 0.251 945 S C 1.868 176.374 174.600 -0.158 0.000 1.018 945 S CA 1.266 59.348 58.200 -0.196 0.000 0.988 945 S CB -1.894 61.011 63.200 -0.493 0.000 0.766 945 S HN 1.839 nan 8.310 nan 0.000 0.504 946 G N 1.001 109.771 108.800 -0.050 0.000 2.366 946 G HA2 -0.274 3.580 3.960 -0.177 0.000 0.299 946 G HA3 -0.274 3.580 3.960 -0.177 0.000 0.299 946 G C -0.167 174.714 174.900 -0.032 0.000 1.020 946 G CA 0.489 45.582 45.100 -0.013 0.000 1.026 946 G HN 1.007 nan 8.290 nan 0.000 0.512 947 I N 1.950 122.475 120.570 -0.074 0.000 2.503 947 I HA 0.423 4.487 4.170 -0.177 0.000 0.277 947 I C 0.978 177.070 176.117 -0.042 0.000 1.078 947 I CA -0.046 61.214 61.300 -0.066 0.000 1.184 947 I CB 0.245 38.163 38.000 -0.136 0.000 1.353 947 I HN 0.341 nan 8.210 nan 0.000 0.490 948 T N 4.193 118.737 114.554 -0.017 0.000 2.990 948 T HA 0.612 4.856 4.350 -0.177 0.000 0.296 948 T C 0.054 174.746 174.700 -0.012 0.000 1.189 948 T CA -0.628 61.461 62.100 -0.018 0.000 0.938 948 T CB 1.420 70.282 68.868 -0.011 0.000 1.994 948 T HN 0.332 nan 8.240 nan 0.000 0.584 949 I N 0.593 121.156 120.570 -0.012 0.000 2.590 949 I HA 0.486 4.550 4.170 -0.177 0.000 0.283 949 I C -0.060 176.053 176.117 -0.007 0.000 1.154 949 I CA -0.829 60.465 61.300 -0.010 0.000 1.067 949 I CB 1.668 39.655 38.000 -0.022 0.000 1.243 949 I HN 0.943 nan 8.210 nan 0.000 0.451 950 G N 3.752 112.552 108.800 0.000 0.000 2.400 950 G HA2 0.440 4.294 3.960 -0.177 0.000 0.333 950 G HA3 0.440 4.294 3.960 -0.177 0.000 0.333 950 G C 0.590 175.490 174.900 -0.001 0.000 1.143 950 G CA -0.512 44.587 45.100 -0.002 0.000 0.914 950 G HN 0.595 nan 8.290 nan 0.000 0.480 951 I N 0.583 121.152 120.570 -0.001 0.000 2.479 951 I HA -0.199 3.865 4.170 -0.177 0.000 0.258 951 I C 1.759 177.876 176.117 -0.001 0.000 1.165 951 I CA 1.455 62.758 61.300 0.004 0.000 1.422 951 I CB -0.036 37.968 38.000 0.007 0.000 1.087 951 I HN 0.573 nan 8.210 nan 0.000 0.441 952 D N 0.406 120.799 120.400 -0.012 0.000 2.178 952 D HA -0.175 4.359 4.640 -0.177 0.000 0.201 952 D C 1.355 177.626 176.300 -0.047 0.000 0.980 952 D CA 1.434 55.413 54.000 -0.034 0.000 0.842 952 D CB -0.022 40.756 40.800 -0.036 0.000 0.948 952 D HN 0.469 nan 8.370 nan 0.000 0.472 953 D N 0.453 120.846 120.400 -0.012 0.000 2.310 953 D HA -0.057 4.477 4.640 -0.177 0.000 0.212 953 D C 1.060 177.403 176.300 0.072 0.000 0.965 953 D CA 0.256 54.270 54.000 0.024 0.000 0.879 953 D CB -0.161 40.667 40.800 0.047 0.000 0.921 953 D HN 0.051 nan 8.370 nan 0.000 0.510 954 A N 0.808 123.653 122.820 0.042 0.000 2.711 954 A HA 0.173 4.387 4.320 -0.177 0.000 0.242 954 A C 0.334 177.943 177.584 0.040 0.000 1.607 954 A CA -0.267 51.812 52.037 0.069 0.000 1.370 954 A CB -0.880 18.152 19.000 0.053 0.000 0.934 954 A HN -0.009 nan 8.150 nan 0.000 0.628 955 V N 1.197 121.115 119.914 0.006 0.000 2.611 955 V HA -0.134 3.880 4.120 -0.177 0.000 0.296 955 V C 0.496 176.518 176.094 -0.119 0.000 1.006 955 V CA 0.931 63.124 62.300 -0.178 0.000 1.194 955 V CB -0.892 30.623 31.823 -0.514 0.000 0.871 955 V HN 0.508 nan 8.190 nan 0.000 0.470 956 I N 7.843 128.356 120.570 -0.095 0.000 2.291 956 I HA 0.287 4.351 4.170 -0.177 0.000 0.290 956 I C -1.909 174.162 176.117 -0.077 0.000 1.050 956 I CA -1.694 59.577 61.300 -0.050 0.000 1.245 956 I CB 1.084 39.069 38.000 -0.026 0.000 1.405 956 I HN 0.447 nan 8.210 nan 0.000 0.478 957 P HA 0.002 nan 4.420 nan 0.000 0.267 957 P C 0.547 177.799 177.300 -0.080 0.000 1.200 957 P CA -0.045 63.010 63.100 -0.076 0.000 0.772 957 P CB 0.902 32.578 31.700 -0.039 0.000 0.855 958 E N 1.558 121.703 120.200 -0.091 0.000 2.150 958 E HA -0.176 4.068 4.350 -0.177 0.000 0.193 958 E C 1.249 177.739 176.600 -0.184 0.000 0.985 958 E CA 1.302 57.638 56.400 -0.106 0.000 0.814 958 E CB -0.413 29.237 29.700 -0.083 0.000 0.752 958 E HN 0.371 nan 8.360 nan 0.000 0.466 959 E N 0.615 120.650 120.200 -0.275 0.000 2.339 959 E HA -0.224 4.020 4.350 -0.177 0.000 0.201 959 E C 1.599 177.782 176.600 -0.695 0.000 1.015 959 E CA 0.954 56.974 56.400 -0.634 0.000 0.841 959 E CB -0.218 28.995 29.700 -0.812 0.000 0.754 959 E HN 0.240 nan 8.360 nan 0.000 0.508 960 K N 1.040 121.264 120.400 -0.293 0.000 1.971 960 K HA -0.272 3.942 4.320 -0.177 0.000 0.221 960 K C 1.735 178.282 176.600 -0.088 0.000 1.050 960 K CA 1.705 57.927 56.287 -0.108 0.000 0.967 960 K CB -0.006 32.476 32.500 -0.030 0.000 0.733 960 K HN -0.082 nan 8.250 nan 0.000 0.445 961 K N 0.891 121.244 120.400 -0.078 0.000 2.049 961 K HA -0.277 3.937 4.320 -0.177 0.000 0.219 961 K C 2.227 178.804 176.600 -0.038 0.000 1.056 961 K CA 2.037 58.299 56.287 -0.041 0.000 0.946 961 K CB -0.784 31.687 32.500 -0.049 0.000 0.723 961 K HN 0.458 nan 8.250 nan 0.000 0.453 962 Q N -0.277 119.452 119.800 -0.117 0.000 1.858 962 Q HA -0.215 4.019 4.340 -0.177 0.000 0.240 962 Q C 2.242 178.292 176.000 0.082 0.000 1.014 962 Q CA 2.078 57.840 55.803 -0.068 0.000 0.884 962 Q CB -0.541 28.073 28.738 -0.206 0.000 0.957 962 Q HN 0.294 nan 8.270 nan 0.000 0.419 963 Y N 0.727 121.040 120.300 0.023 0.000 2.062 963 Y HA -0.298 4.146 4.550 -0.177 0.000 0.276 963 Y C 2.290 178.208 175.900 0.030 0.000 1.189 963 Y CA 1.057 59.169 58.100 0.021 0.000 1.130 963 Y CB -1.293 37.192 38.460 0.042 0.000 0.959 963 Y HN 0.196 nan 8.280 nan 0.000 0.499 964 L N -0.481 120.875 121.223 0.221 0.000 2.034 964 L HA -0.300 3.934 4.340 -0.177 0.000 0.217 964 L C 2.633 179.579 176.870 0.127 0.000 1.077 964 L CA 2.067 57.017 54.840 0.184 0.000 0.769 964 L CB -0.422 41.715 42.059 0.130 0.000 0.890 964 L HN 0.228 nan 8.230 nan 0.000 0.435 965 E N 0.566 120.818 120.200 0.087 0.000 2.004 965 E HA -0.205 4.039 4.350 -0.177 0.000 0.192 965 E C 1.831 178.450 176.600 0.031 0.000 0.987 965 E CA 1.559 57.992 56.400 0.054 0.000 0.822 965 E CB -0.328 29.394 29.700 0.038 0.000 0.779 965 E HN 0.366 nan 8.360 nan 0.000 0.458 966 E N 0.192 120.420 120.200 0.047 0.000 2.277 966 E HA -0.343 3.901 4.350 -0.177 0.000 0.216 966 E C 1.886 178.461 176.600 -0.041 0.000 1.068 966 E CA 1.671 58.084 56.400 0.023 0.000 0.866 966 E CB -0.381 29.363 29.700 0.073 0.000 0.749 966 E HN 0.397 nan 8.360 nan 0.000 0.465 967 A N 1.039 123.818 122.820 -0.070 0.000 1.897 967 A HA -0.205 4.009 4.320 -0.177 0.000 0.215 967 A C 2.011 179.451 177.584 -0.239 0.000 1.181 967 A CA 1.432 53.334 52.037 -0.224 0.000 0.620 967 A CB -0.246 18.545 19.000 -0.348 0.000 0.821 967 A HN 0.169 nan 8.150 nan 0.000 0.443 968 D N 0.291 120.622 120.400 -0.115 0.000 2.097 968 D HA -0.211 4.323 4.640 -0.177 0.000 0.195 968 D C 2.290 178.558 176.300 -0.052 0.000 0.989 968 D CA 1.646 55.613 54.000 -0.055 0.000 0.827 968 D CB -0.202 40.615 40.800 0.029 0.000 0.966 968 D HN 0.634 nan 8.370 nan 0.000 0.456 969 R N 0.943 121.419 120.500 -0.041 0.000 2.113 969 R HA -0.222 4.012 4.340 -0.177 0.000 0.244 969 R C 2.183 178.450 176.300 -0.054 0.000 1.142 969 R CA 1.820 57.900 56.100 -0.034 0.000 0.953 969 R CB -0.587 29.696 30.300 -0.028 0.000 0.860 969 R HN -0.063 nan 8.270 nan 0.000 0.438 970 K N 1.222 121.570 120.400 -0.086 0.000 2.089 970 K HA -0.116 4.098 4.320 -0.177 0.000 0.210 970 K C 2.146 178.689 176.600 -0.096 0.000 1.048 970 K CA 1.785 58.009 56.287 -0.104 0.000 0.926 970 K CB -0.490 31.918 32.500 -0.153 0.000 0.714 970 K HN 0.356 nan 8.250 nan 0.000 0.448 971 L N 0.040 121.199 121.223 -0.106 0.000 1.990 971 L HA -0.272 3.962 4.340 -0.177 0.000 0.213 971 L C 2.284 179.141 176.870 -0.023 0.000 1.072 971 L CA 1.235 56.037 54.840 -0.064 0.000 0.755 971 L CB -0.686 41.358 42.059 -0.026 0.000 0.889 971 L HN 0.204 nan 8.230 nan 0.000 0.432 972 L N -0.417 120.796 121.223 -0.016 0.000 1.978 972 L HA -0.302 3.932 4.340 -0.177 0.000 0.218 972 L C 2.677 179.542 176.870 -0.008 0.000 1.075 972 L CA 2.052 56.891 54.840 -0.002 0.000 0.767 972 L CB -1.484 40.572 42.059 -0.005 0.000 0.890 972 L HN 0.462 nan 8.230 nan 0.000 0.434 973 Q N -0.246 119.537 119.800 -0.028 0.000 2.012 973 Q HA -0.259 3.975 4.340 -0.177 0.000 0.211 973 Q C 2.241 178.224 176.000 -0.029 0.000 1.009 973 Q CA 2.030 57.810 55.803 -0.040 0.000 0.866 973 Q CB -0.313 28.392 28.738 -0.055 0.000 0.945 973 Q HN 0.494 nan 8.270 nan 0.000 0.414 974 I N 0.417 120.972 120.570 -0.026 0.000 2.052 974 I HA -0.323 3.741 4.170 -0.177 0.000 0.235 974 I C 2.425 178.571 176.117 0.049 0.000 1.046 974 I CA 1.457 62.757 61.300 -0.001 0.000 1.308 974 I CB -0.472 37.517 38.000 -0.017 0.000 1.031 974 I HN 0.229 nan 8.210 nan 0.000 0.395 975 E N 0.791 121.021 120.200 0.050 0.000 2.108 975 E HA -0.284 3.960 4.350 -0.177 0.000 0.203 975 E C 2.150 178.831 176.600 0.135 0.000 1.022 975 E CA 1.741 58.200 56.400 0.098 0.000 0.823 975 E CB -0.191 29.552 29.700 0.071 0.000 0.744 975 E HN 0.396 nan 8.360 nan 0.000 0.456 976 Q N -0.598 119.244 119.800 0.070 0.000 1.956 976 Q HA -0.245 3.989 4.340 -0.177 0.000 0.208 976 Q C 2.280 178.320 176.000 0.067 0.000 0.998 976 Q CA 1.722 57.555 55.803 0.051 0.000 0.855 976 Q CB -0.634 28.103 28.738 -0.002 0.000 0.928 976 Q HN 0.417 nan 8.270 nan 0.000 0.418 977 A N 0.244 123.076 122.820 0.021 0.000 2.054 977 A HA -0.255 3.959 4.320 -0.177 0.000 0.223 977 A C 1.869 179.564 177.584 0.186 0.000 1.169 977 A CA 1.935 53.981 52.037 0.015 0.000 0.655 977 A CB -0.816 18.161 19.000 -0.038 0.000 0.812 977 A HN 0.552 nan 8.150 nan 0.000 0.462 978 Y N 0.238 120.582 120.300 0.074 0.000 2.269 978 Y HA -0.007 4.437 4.550 -0.176 0.000 0.294 978 Y C 2.133 178.087 175.900 0.090 0.000 1.120 978 Y CA 1.655 59.808 58.100 0.089 0.000 1.159 978 Y CB -0.226 38.273 38.460 0.065 0.000 1.024 978 Y HN 0.456 nan 8.280 nan 0.000 0.532 979 E N -0.529 119.720 120.200 0.081 0.000 2.265 979 E HA -0.175 4.069 4.350 -0.177 0.000 0.196 979 E C 1.536 178.122 176.600 -0.023 0.000 0.996 979 E CA 0.930 57.328 56.400 -0.004 0.000 0.832 979 E CB -0.084 29.659 29.700 0.071 0.000 0.756 979 E HN 0.433 nan 8.360 nan 0.000 0.491 980 M N -0.877 118.763 119.600 0.067 0.000 2.495 980 M HA 0.126 4.501 4.480 -0.177 0.000 0.237 980 M C 1.325 177.713 176.300 0.146 0.000 1.131 980 M CA 0.570 55.978 55.300 0.180 0.000 1.032 980 M CB 0.119 32.943 32.600 0.374 0.000 1.513 980 M HN 0.250 nan 8.290 nan 0.000 0.488 981 G N 0.201 108.993 108.800 -0.013 0.000 2.168 981 G HA2 -0.304 3.550 3.960 -0.177 0.000 0.263 981 G HA3 -0.304 3.550 3.960 -0.177 0.000 0.263 981 G C 0.609 175.492 174.900 -0.027 0.000 0.977 981 G CA 0.256 45.294 45.100 -0.104 0.000 0.659 981 G HN 0.442 nan 8.290 nan 0.000 0.533 982 F N -0.032 119.894 119.950 -0.040 0.000 2.699 982 F HA 0.410 4.831 4.527 -0.176 0.000 0.298 982 F C 1.495 177.310 175.800 0.026 0.000 1.154 982 F CA 0.785 58.783 58.000 -0.003 0.000 1.457 982 F CB 0.204 39.209 39.000 0.009 0.000 1.106 982 F HN 0.142 nan 8.300 nan 0.000 0.585 983 L N -0.756 120.603 121.223 0.226 0.000 2.408 983 L HA 0.328 4.562 4.340 -0.177 0.000 0.268 983 L C 0.199 177.221 176.870 0.253 0.000 0.986 983 L CA -0.639 54.343 54.840 0.237 0.000 0.820 983 L CB 2.126 44.369 42.059 0.308 0.000 1.303 983 L HN -0.340 nan 8.230 nan 0.000 0.411 984 T N 0.050 114.727 114.554 0.205 0.000 2.897 984 T HA 0.060 4.304 4.350 -0.177 0.000 0.294 984 T C 0.791 175.659 174.700 0.280 0.000 1.004 984 T CA -0.431 61.790 62.100 0.201 0.000 1.106 984 T CB 0.712 69.651 68.868 0.119 0.000 0.949 984 T HN 0.619 nan 8.240 nan 0.000 0.520 985 D N 2.930 123.525 120.400 0.324 0.000 2.154 985 D HA -0.166 4.368 4.640 -0.177 0.000 0.190 985 D C 2.027 178.376 176.300 0.082 0.000 1.003 985 D CA 1.400 55.500 54.000 0.167 0.000 0.849 985 D CB -0.138 40.727 40.800 0.110 0.000 0.942 985 D HN 0.422 nan 8.370 nan 0.000 0.446 986 R N 0.912 121.475 120.500 0.105 0.000 2.082 986 R HA -0.117 4.118 4.340 -0.177 0.000 0.234 986 R C 2.049 178.436 176.300 0.145 0.000 1.136 986 R CA 1.674 57.856 56.100 0.136 0.000 0.935 986 R CB -0.621 29.745 30.300 0.111 0.000 0.842 986 R HN 0.231 nan 8.270 nan 0.000 0.430 987 E N -0.151 120.119 120.200 0.117 0.000 2.197 987 E HA -0.326 3.918 4.350 -0.177 0.000 0.205 987 E C 1.991 178.644 176.600 0.088 0.000 1.029 987 E CA 1.792 58.250 56.400 0.097 0.000 0.828 987 E CB -0.215 29.550 29.700 0.109 0.000 0.737 987 E HN 0.262 nan 8.360 nan 0.000 0.464 988 R N 0.125 120.684 120.500 0.098 0.000 2.107 988 R HA -0.204 4.030 4.340 -0.177 0.000 0.223 988 R C 2.239 178.579 176.300 0.065 0.000 1.138 988 R CA 1.692 57.820 56.100 0.047 0.000 0.900 988 R CB -0.906 29.339 30.300 -0.091 0.000 0.814 988 R HN 0.196 nan 8.270 nan 0.000 0.437 989 Y N 2.816 123.081 120.300 -0.059 0.000 1.931 989 Y HA -0.424 4.020 4.550 -0.176 0.000 0.240 989 Y C 1.985 177.890 175.900 0.008 0.000 1.189 989 Y CA 2.398 60.481 58.100 -0.028 0.000 1.059 989 Y CB -1.026 37.413 38.460 -0.036 0.000 0.880 989 Y HN 0.381 nan 8.280 nan 0.000 0.507 990 D N -0.097 120.216 120.400 -0.145 0.000 2.421 990 D HA -0.347 4.187 4.640 -0.177 0.000 0.195 990 D C 2.102 178.306 176.300 -0.159 0.000 1.022 990 D CA 2.283 56.148 54.000 -0.225 0.000 0.871 990 D CB -0.962 39.807 40.800 -0.052 0.000 1.026 990 D HN 0.562 nan 8.370 nan 0.000 0.462 991 Q N 0.221 119.980 119.800 -0.068 0.000 2.103 991 Q HA -0.218 4.016 4.340 -0.177 0.000 0.213 991 Q C 2.480 178.433 176.000 -0.079 0.000 1.008 991 Q CA 1.813 57.581 55.803 -0.058 0.000 0.879 991 Q CB -0.387 28.334 28.738 -0.029 0.000 0.946 991 Q HN 0.426 nan 8.270 nan 0.000 0.413 992 I N 0.062 120.594 120.570 -0.063 0.000 2.087 992 I HA -0.398 3.666 4.170 -0.177 0.000 0.240 992 I C 2.129 178.253 176.117 0.012 0.000 1.054 992 I CA 1.527 62.805 61.300 -0.037 0.000 1.311 992 I CB -0.635 37.402 38.000 0.062 0.000 1.024 992 I HN 0.238 nan 8.210 nan 0.000 0.402 993 L N -0.278 120.941 121.223 -0.007 0.000 1.944 993 L HA -0.279 3.955 4.340 -0.177 0.000 0.218 993 L C 2.784 179.678 176.870 0.040 0.000 1.075 993 L CA 1.281 56.150 54.840 0.047 0.000 0.767 993 L CB -1.232 40.722 42.059 -0.175 0.000 0.890 993 L HN 0.281 nan 8.230 nan 0.000 0.434 994 Q N 0.192 119.966 119.800 -0.044 0.000 2.188 994 Q HA -0.296 3.939 4.340 -0.177 0.000 0.217 994 Q C 2.054 178.032 176.000 -0.037 0.000 1.018 994 Q CA 2.232 58.011 55.803 -0.040 0.000 0.910 994 Q CB -1.312 27.392 28.738 -0.057 0.000 0.979 994 Q HN 0.481 nan 8.270 nan 0.000 0.413 995 L N -0.499 120.672 121.223 -0.087 0.000 1.921 995 L HA -0.172 4.062 4.340 -0.177 0.000 0.219 995 L C 2.062 178.872 176.870 -0.100 0.000 1.081 995 L CA 2.033 56.768 54.840 -0.174 0.000 0.771 995 L CB -1.321 40.530 42.059 -0.346 0.000 0.888 995 L HN 0.305 nan 8.230 nan 0.000 0.433 996 W N 0.366 121.645 121.300 -0.036 0.000 2.283 996 W HA -0.393 4.160 4.660 -0.177 0.000 0.335 996 W C 2.587 179.093 176.519 -0.022 0.000 1.313 996 W CA 2.645 59.977 57.345 -0.022 0.000 1.263 996 W CB -1.435 28.015 29.460 -0.018 0.000 1.141 996 W HN 0.369 nan 8.180 nan 0.000 0.468 997 T N -0.258 114.449 114.554 0.256 0.000 2.531 997 T HA -0.456 3.788 4.350 -0.177 0.000 0.261 997 T C 1.388 176.142 174.700 0.090 0.000 1.141 997 T CA 1.943 64.122 62.100 0.130 0.000 1.176 997 T CB -1.166 67.742 68.868 0.067 0.000 0.863 997 T HN 0.410 nan 8.240 nan 0.000 0.424 998 E N 0.896 121.121 120.200 0.042 0.000 2.048 998 E HA -0.263 3.981 4.350 -0.177 0.000 0.202 998 E C 2.271 178.870 176.600 -0.002 0.000 1.021 998 E CA 2.153 58.551 56.400 -0.003 0.000 0.825 998 E CB -0.467 29.207 29.700 -0.043 0.000 0.756 998 E HN 0.632 nan 8.360 nan 0.000 0.454 999 T N 0.337 114.900 114.554 0.016 0.000 2.544 999 T HA -0.223 4.021 4.350 -0.177 0.000 0.264 999 T C 2.004 176.770 174.700 0.109 0.000 1.096 999 T CA 2.373 64.495 62.100 0.037 0.000 1.181 999 T CB -1.139 67.793 68.868 0.108 0.000 0.864 999 T HN 0.271 nan 8.240 nan 0.000 0.415 1000 T N 1.593 116.264 114.554 0.194 0.000 2.680 1000 T HA -0.231 4.013 4.350 -0.177 0.000 0.268 1000 T C 1.921 176.687 174.700 0.110 0.000 1.033 1000 T CA 1.927 64.126 62.100 0.164 0.000 1.152 1000 T CB -0.446 68.505 68.868 0.139 0.000 0.859 1000 T HN 0.463 nan 8.240 nan 0.000 0.452 1001 E N 1.561 121.803 120.200 0.069 0.000 2.001 1001 E HA -0.105 4.139 4.350 -0.177 0.000 0.195 1001 E C 2.165 178.782 176.600 0.028 0.000 1.002 1001 E CA 1.507 57.927 56.400 0.034 0.000 0.819 1001 E CB -0.333 29.369 29.700 0.005 0.000 0.769 1001 E HN 0.336 nan 8.360 nan 0.000 0.454 1002 K N 0.056 120.440 120.400 -0.026 0.000 2.097 1002 K HA -0.236 3.978 4.320 -0.177 0.000 0.214 1002 K C 2.184 178.821 176.600 0.061 0.000 1.052 1002 K CA 1.958 58.188 56.287 -0.095 0.000 0.932 1002 K CB -0.832 31.459 32.500 -0.348 0.000 0.716 1002 K HN 0.102 nan 8.250 nan 0.000 0.455 1003 V N 1.355 121.370 119.914 0.168 0.000 2.220 1003 V HA -0.355 3.659 4.120 -0.177 0.000 0.250 1003 V C 2.321 178.573 176.094 0.264 0.000 1.053 1003 V CA 2.630 65.121 62.300 0.319 0.000 1.019 1003 V CB -1.224 30.751 31.823 0.252 0.000 0.646 1003 V HN 0.456 nan 8.190 nan 0.000 0.455 1004 T N -1.012 113.666 114.554 0.207 0.000 2.635 1004 T HA -0.436 3.808 4.350 -0.177 0.000 0.265 1004 T C 1.868 176.715 174.700 0.246 0.000 1.058 1004 T CA 2.416 64.651 62.100 0.227 0.000 1.162 1004 T CB -0.455 68.466 68.868 0.088 0.000 0.859 1004 T HN 0.419 nan 8.240 nan 0.000 0.449 1005 Q N 0.879 120.758 119.800 0.132 0.000 2.012 1005 Q HA -0.166 4.068 4.340 -0.177 0.000 0.211 1005 Q C 2.526 178.668 176.000 0.236 0.000 1.009 1005 Q CA 2.307 58.183 55.803 0.121 0.000 0.866 1005 Q CB -1.214 27.573 28.738 0.082 0.000 0.945 1005 Q HN 0.591 nan 8.270 nan 0.000 0.414 1006 A N -0.436 122.541 122.820 0.261 0.000 1.863 1006 A HA -0.298 3.916 4.320 -0.177 0.000 0.218 1006 A C 2.239 179.962 177.584 0.233 0.000 1.233 1006 A CA 2.671 54.851 52.037 0.239 0.000 0.655 1006 A CB -1.467 17.679 19.000 0.243 0.000 0.839 1006 A HN 0.276 nan 8.150 nan 0.000 0.454 1007 V N -0.963 119.118 119.914 0.279 0.000 2.240 1007 V HA -0.408 3.606 4.120 -0.177 0.000 0.257 1007 V C 2.332 178.644 176.094 0.363 0.000 1.067 1007 V CA 2.880 65.357 62.300 0.296 0.000 1.067 1007 V CB -1.372 30.693 31.823 0.403 0.000 0.683 1007 V HN 0.563 nan 8.190 nan 0.000 0.461 1008 F N 0.397 120.490 119.950 0.238 0.000 2.095 1008 F HA -0.174 4.247 4.527 -0.176 0.000 0.298 1008 F C 2.446 178.293 175.800 0.078 0.000 1.104 1008 F CA 2.092 60.200 58.000 0.181 0.000 1.232 1008 F CB -0.850 38.241 39.000 0.152 0.000 0.987 1008 F HN 0.101 nan 8.300 nan 0.000 0.475 1009 K N 0.437 121.017 120.400 0.300 0.000 2.044 1009 K HA -0.294 3.920 4.320 -0.177 0.000 0.210 1009 K C 2.084 178.730 176.600 0.076 0.000 1.049 1009 K CA 1.870 58.254 56.287 0.163 0.000 0.927 1009 K CB -0.381 32.206 32.500 0.143 0.000 0.713 1009 K HN 0.139 nan 8.250 nan 0.000 0.443 1010 N N -0.133 118.599 118.700 0.052 0.000 2.223 1010 N HA -0.140 4.494 4.740 -0.177 0.000 0.185 1010 N C 1.419 176.827 175.510 -0.170 0.000 1.016 1010 N CA 1.287 54.299 53.050 -0.063 0.000 0.863 1010 N CB -0.153 38.268 38.487 -0.111 0.000 0.983 1010 N HN 0.164 nan 8.380 nan 0.000 0.429 1011 F N 0.609 120.443 119.950 -0.193 0.000 2.118 1011 F HA 0.078 4.496 4.527 -0.181 0.000 0.293 1011 F C 2.451 177.967 175.800 -0.472 0.000 1.102 1011 F CA 1.018 58.768 58.000 -0.417 0.000 1.247 1011 F CB -0.629 37.778 39.000 -0.988 0.000 1.017 1011 F HN 0.069 nan 8.300 nan 0.000 0.475 1012 E N 0.452 120.462 120.200 -0.317 0.000 2.160 1012 E HA -0.191 4.053 4.350 -0.177 0.000 0.195 1012 E C 1.911 178.549 176.600 0.063 0.000 0.991 1012 E CA 1.504 57.910 56.400 0.010 0.000 0.810 1012 E CB -0.141 29.654 29.700 0.160 0.000 0.742 1012 E HN 0.231 nan 8.360 nan 0.000 0.466 1013 E N -0.069 120.131 120.200 -0.001 0.000 2.051 1013 E HA -0.029 4.215 4.350 -0.177 0.000 0.189 1013 E C 1.007 177.545 176.600 -0.103 0.000 0.979 1013 E CA 1.020 57.406 56.400 -0.023 0.000 0.803 1013 E CB 0.000 29.684 29.700 -0.026 0.000 0.761 1013 E HN 0.399 nan 8.360 nan 0.000 0.451 1014 N N -1.248 117.327 118.700 -0.208 0.000 2.143 1014 N HA 0.032 4.667 4.740 -0.177 0.000 0.222 1014 N C -0.277 174.672 175.510 -0.934 0.000 1.264 1014 N CA 0.117 52.835 53.050 -0.555 0.000 0.897 1014 N CB 0.766 38.831 38.487 -0.703 0.000 1.092 1014 N HN 0.105 nan 8.380 nan 0.000 0.516 1015 Y N -0.678 119.631 120.300 0.016 0.000 2.919 1015 Y HA 0.344 4.788 4.550 -0.177 0.000 0.245 1015 Y C -1.990 174.116 175.900 0.343 0.000 0.959 1015 Y CA -1.274 56.904 58.100 0.129 0.000 1.118 1015 Y CB 1.074 39.541 38.460 0.013 0.000 1.224 1015 Y HN -0.102 nan 8.280 nan 0.000 0.658 1016 P HA -0.210 nan 4.420 nan 0.000 0.216 1016 P C 1.238 178.964 177.300 0.709 0.000 1.154 1016 P CA 1.784 65.313 63.100 0.715 0.000 0.865 1016 P CB 0.036 32.072 31.700 0.559 0.000 0.789 1017 F N -1.427 118.752 119.950 0.382 0.000 2.802 1017 F HA 0.027 4.435 4.527 -0.198 0.000 0.300 1017 F C 1.310 177.299 175.800 0.316 0.000 1.168 1017 F CA -0.123 58.073 58.000 0.327 0.000 1.433 1017 F CB -1.085 38.074 39.000 0.265 0.000 1.115 1017 F HN -0.070 nan 8.300 nan 0.000 0.582 1018 N N 1.910 120.932 118.700 0.537 0.000 2.356 1018 N HA -0.097 4.537 4.740 -0.177 0.000 0.252 1018 N C -1.896 173.758 175.510 0.241 0.000 1.241 1018 N CA -0.751 52.553 53.050 0.425 0.000 0.861 1018 N CB 1.113 39.980 38.487 0.633 0.000 1.075 1018 N HN -0.029 nan 8.380 nan 0.000 0.461 1019 P HA -0.224 nan 4.420 nan 0.000 0.206 1019 P C 1.619 178.884 177.300 -0.058 0.000 1.142 1019 P CA 1.769 64.884 63.100 0.025 0.000 0.946 1019 P CB 0.032 31.742 31.700 0.017 0.000 0.777 1020 L N -2.556 118.614 121.223 -0.089 0.000 2.017 1020 L HA -0.337 3.898 4.340 -0.177 0.000 0.234 1020 L C 2.570 179.273 176.870 -0.279 0.000 1.097 1020 L CA 2.273 56.992 54.840 -0.201 0.000 0.816 1020 L CB -1.693 40.199 42.059 -0.278 0.000 0.914 1020 L HN 0.029 nan 8.230 nan 0.000 0.444 1021 Y N 0.497 120.436 120.300 -0.601 0.000 1.967 1021 Y HA -0.405 4.038 4.550 -0.179 0.000 0.260 1021 Y C 2.636 178.341 175.900 -0.326 0.000 1.181 1021 Y CA 2.249 60.001 58.100 -0.580 0.000 1.097 1021 Y CB -0.301 37.919 38.460 -0.399 0.000 0.934 1021 Y HN -0.081 nan 8.280 nan 0.000 0.492 1022 V N 1.058 120.796 119.914 -0.293 0.000 2.250 1022 V HA -0.492 3.522 4.120 -0.177 0.000 0.253 1022 V C 2.311 178.081 176.094 -0.540 0.000 1.065 1022 V CA 2.473 64.507 62.300 -0.445 0.000 1.039 1022 V CB -0.863 30.835 31.823 -0.208 0.000 0.647 1022 V HN 0.545 nan 8.190 nan 0.000 0.446 1023 M N -0.214 119.185 119.600 -0.335 0.000 2.443 1023 M HA -0.218 4.156 4.480 -0.177 0.000 0.267 1023 M C 2.517 178.644 176.300 -0.288 0.000 1.069 1023 M CA 2.479 57.614 55.300 -0.275 0.000 1.085 1023 M CB -1.016 31.477 32.600 -0.177 0.000 1.243 1023 M HN 0.401 nan 8.290 nan 0.000 0.464 1024 A N 0.214 122.895 122.820 -0.233 0.000 1.881 1024 A HA -0.274 3.940 4.320 -0.177 0.000 0.219 1024 A C 2.111 179.575 177.584 -0.199 0.000 1.215 1024 A CA 2.052 53.993 52.037 -0.159 0.000 0.648 1024 A CB -1.079 17.863 19.000 -0.098 0.000 0.832 1024 A HN 0.599 nan 8.150 nan 0.000 0.455 1025 Q N -0.081 119.523 119.800 -0.327 0.000 1.998 1025 Q HA -0.224 4.010 4.340 -0.177 0.000 0.209 1025 Q C 2.583 178.350 176.000 -0.388 0.000 1.002 1025 Q CA 2.400 57.981 55.803 -0.370 0.000 0.858 1025 Q CB -1.110 27.238 28.738 -0.651 0.000 0.932 1025 Q HN 0.881 nan 8.270 nan 0.000 0.416 1026 S N -0.813 114.465 115.700 -0.703 0.000 2.462 1026 S HA -0.105 4.259 4.470 -0.177 0.000 0.243 1026 S C 1.537 175.993 174.600 -0.240 0.000 1.003 1026 S CA 1.456 59.294 58.200 -0.603 0.000 0.970 1026 S CB -0.483 62.244 63.200 -0.787 0.000 0.762 1026 S HN 0.650 nan 8.310 nan 0.000 0.510 1027 G N 0.603 109.278 108.800 -0.208 0.000 2.179 1027 G HA2 -0.252 3.602 3.960 -0.177 0.000 0.260 1027 G HA3 -0.252 3.602 3.960 -0.177 0.000 0.260 1027 G C 1.009 175.860 174.900 -0.083 0.000 0.977 1027 G CA 0.491 45.528 45.100 -0.104 0.000 0.641 1027 G HN 1.374 nan 8.290 nan 0.000 0.533 1028 A N -0.591 122.160 122.820 -0.116 0.000 2.032 1028 A HA 0.369 4.583 4.320 -0.177 0.000 0.221 1028 A C 1.361 178.916 177.584 -0.048 0.000 1.165 1028 A CA 2.492 54.490 52.037 -0.066 0.000 0.645 1028 A CB -0.073 18.876 19.000 -0.085 0.000 0.807 1028 A HN 1.385 nan 8.150 nan 0.000 0.453 1029 R N -3.877 116.580 120.500 -0.071 0.000 3.681 1029 R HA 0.435 4.669 4.340 -0.177 0.000 0.252 1029 R C -0.635 175.628 176.300 -0.061 0.000 1.000 1029 R CA 0.296 56.365 56.100 -0.052 0.000 1.056 1029 R CB 0.072 30.346 30.300 -0.043 0.000 1.243 1029 R HN 1.573 nan 8.270 nan 0.000 0.549 1030 G N 2.341 111.119 108.800 -0.038 0.000 2.999 1030 G HA2 -0.189 3.665 3.960 -0.177 0.000 0.686 1030 G HA3 -0.189 3.665 3.960 -0.177 0.000 0.686 1030 G C -1.201 173.699 174.900 -0.000 0.000 1.057 1030 G CA -0.210 44.874 45.100 -0.026 0.000 0.784 1030 G HN 0.965 nan 8.290 nan 0.000 0.575 1031 N N 1.707 120.428 118.700 0.034 0.000 2.741 1031 N HA 0.827 5.461 4.740 -0.177 0.000 0.310 1031 N C -1.493 174.110 175.510 0.154 0.000 1.295 1031 N CA -1.614 51.482 53.050 0.077 0.000 0.893 1031 N CB 1.011 39.528 38.487 0.049 0.000 1.247 1031 N HN 0.192 nan 8.380 nan 0.000 0.596 1032 P HA -0.142 nan 4.420 nan 0.000 0.213 1032 P C 0.973 178.405 177.300 0.220 0.000 1.170 1032 P CA 1.860 65.152 63.100 0.320 0.000 0.898 1032 P CB 0.056 31.780 31.700 0.040 0.000 0.787 1033 Q N -0.039 119.833 119.800 0.120 0.000 2.103 1033 Q HA -0.270 3.964 4.340 -0.177 0.000 0.213 1033 Q C 2.227 178.298 176.000 0.118 0.000 1.008 1033 Q CA 2.034 57.897 55.803 0.100 0.000 0.879 1033 Q CB -1.395 27.383 28.738 0.067 0.000 0.946 1033 Q HN 0.453 nan 8.270 nan 0.000 0.413 1034 Q N -0.226 119.636 119.800 0.104 0.000 2.045 1034 Q HA -0.186 4.048 4.340 -0.177 0.000 0.206 1034 Q C 2.240 178.311 176.000 0.118 0.000 0.991 1034 Q CA 1.681 57.541 55.803 0.095 0.000 0.851 1034 Q CB -0.438 28.331 28.738 0.051 0.000 0.911 1034 Q HN 0.442 nan 8.270 nan 0.000 0.418 1035 I N 0.508 121.150 120.570 0.121 0.000 2.113 1035 I HA -0.291 3.773 4.170 -0.177 0.000 0.238 1035 I C 2.732 178.945 176.117 0.159 0.000 1.070 1035 I CA 1.191 62.553 61.300 0.103 0.000 1.332 1035 I CB -0.503 37.522 38.000 0.041 0.000 1.044 1035 I HN 0.194 nan 8.210 nan 0.000 0.402 1036 R N 1.090 121.721 120.500 0.220 0.000 2.178 1036 R HA -0.301 3.933 4.340 -0.177 0.000 0.257 1036 R C 2.184 178.568 176.300 0.139 0.000 1.163 1036 R CA 2.242 58.464 56.100 0.203 0.000 0.981 1036 R CB -0.304 30.105 30.300 0.183 0.000 0.878 1036 R HN 0.542 nan 8.270 nan 0.000 0.454 1037 Q N 0.132 120.015 119.800 0.139 0.000 1.990 1037 Q HA -0.130 4.104 4.340 -0.177 0.000 0.200 1037 Q C 2.463 178.572 176.000 0.182 0.000 0.980 1037 Q CA 1.655 57.527 55.803 0.116 0.000 0.832 1037 Q CB -0.191 28.666 28.738 0.198 0.000 0.897 1037 Q HN 0.369 nan 8.270 nan 0.000 0.427 1038 L N 0.133 121.528 121.223 0.285 0.000 1.956 1038 L HA -0.284 3.950 4.340 -0.177 0.000 0.216 1038 L C 2.713 179.685 176.870 0.169 0.000 1.073 1038 L CA 1.214 56.219 54.840 0.276 0.000 0.762 1038 L CB -0.660 41.493 42.059 0.156 0.000 0.889 1038 L HN 0.383 nan 8.230 nan 0.000 0.433 1039 C N -0.892 118.489 119.300 0.135 0.000 2.435 1039 C HA 0.012 4.366 4.460 -0.177 0.000 0.279 1039 C C 2.107 177.153 174.990 0.092 0.000 1.321 1039 C CA 0.846 59.934 59.018 0.118 0.000 1.752 1039 C CB -1.043 26.792 27.740 0.158 0.000 1.959 1039 C HN 0.788 nan 8.230 nan 0.000 0.500 1040 G N -1.473 107.383 108.800 0.094 0.000 2.524 1040 G HA2 0.416 4.270 3.960 -0.177 0.000 0.172 1040 G HA3 0.416 4.270 3.960 -0.177 0.000 0.172 1040 G C -0.672 174.252 174.900 0.040 0.000 1.636 1040 G CA 0.039 45.182 45.100 0.071 0.000 0.732 1040 G HN 0.204 nan 8.290 nan 0.000 0.753 1041 L N 1.371 122.626 121.223 0.053 0.000 2.296 1041 L HA 0.649 4.883 4.340 -0.177 0.000 0.286 1041 L C 1.496 178.349 176.870 -0.028 0.000 1.023 1041 L CA -0.562 54.283 54.840 0.009 0.000 0.812 1041 L CB 1.703 43.793 42.059 0.050 0.000 1.223 1041 L HN 0.346 nan 8.230 nan 0.000 0.421 1042 R N 3.371 123.803 120.500 -0.114 0.000 2.148 1042 R HA 0.224 4.458 4.340 -0.177 0.000 0.223 1042 R C 0.861 177.101 176.300 -0.100 0.000 1.088 1042 R CA 0.950 56.960 56.100 -0.150 0.000 0.985 1042 R CB -0.099 30.024 30.300 -0.294 0.000 0.880 1042 R HN 1.057 nan 8.270 nan 0.000 0.451 1043 G N 0.073 108.802 108.800 -0.118 0.000 2.499 1043 G HA2 -0.266 3.588 3.960 -0.177 0.000 0.232 1043 G HA3 -0.266 3.588 3.960 -0.177 0.000 0.232 1043 G C -0.779 174.018 174.900 -0.170 0.000 1.251 1043 G CA -0.342 44.689 45.100 -0.116 0.000 0.917 1043 G HN 0.159 nan 8.290 nan 0.000 0.580 1044 L N 0.681 121.835 121.223 -0.114 0.000 2.326 1044 L HA 0.636 4.870 4.340 -0.177 0.000 0.278 1044 L C 0.637 177.505 176.870 -0.002 0.000 1.092 1044 L CA -0.628 54.162 54.840 -0.084 0.000 0.810 1044 L CB 1.153 43.196 42.059 -0.027 0.000 1.153 1044 L HN 0.519 nan 8.230 nan 0.000 0.439 1045 M N 2.755 122.372 119.600 0.028 0.000 2.664 1045 M HA 0.426 4.800 4.480 -0.177 0.000 0.314 1045 M C -0.432 176.099 176.300 0.384 0.000 1.200 1045 M CA -0.666 54.696 55.300 0.103 0.000 0.916 1045 M CB 1.979 34.558 32.600 -0.035 0.000 1.717 1045 M HN 0.573 nan 8.290 nan 0.000 0.470 1046 Q N 0.261 120.293 119.800 0.388 0.000 2.359 1046 Q HA 0.678 4.912 4.340 -0.177 0.000 0.275 1046 Q C -1.145 175.015 176.000 0.267 0.000 1.082 1046 Q CA -1.046 54.970 55.803 0.356 0.000 0.849 1046 Q CB 2.174 31.043 28.738 0.219 0.000 1.377 1046 Q HN 0.475 nan 8.270 nan 0.000 0.452 1047 K N 0.923 121.140 120.400 -0.304 0.000 2.180 1047 K HA 0.123 4.337 4.320 -0.177 0.000 0.251 1047 K C -1.921 174.642 176.600 -0.062 0.000 1.014 1047 K CA -1.533 54.515 56.287 -0.398 0.000 0.913 1047 K CB 0.178 32.262 32.500 -0.693 0.000 1.008 1047 K HN 0.423 nan 8.250 nan 0.000 0.490 1048 P HA -0.231 nan 4.420 nan 0.000 0.215 1048 P C 1.381 178.707 177.300 0.043 0.000 1.157 1048 P CA 1.535 64.703 63.100 0.114 0.000 0.868 1048 P CB 0.051 31.858 31.700 0.178 0.000 0.788 1049 S N -1.464 114.229 115.700 -0.013 0.000 2.392 1049 S HA -0.139 4.225 4.470 -0.177 0.000 0.232 1049 S C 1.913 176.500 174.600 -0.021 0.000 1.041 1049 S CA 1.934 60.116 58.200 -0.031 0.000 1.026 1049 S CB -1.580 61.573 63.200 -0.079 0.000 0.845 1049 S HN 0.352 nan 8.310 nan 0.000 0.465 1050 G N 1.206 109.991 108.800 -0.025 0.000 2.380 1050 G HA2 -0.191 3.663 3.960 -0.177 0.000 0.197 1050 G HA3 -0.191 3.663 3.960 -0.177 0.000 0.197 1050 G C -0.146 174.731 174.900 -0.039 0.000 1.001 1050 G CA -0.016 45.102 45.100 0.029 0.000 0.668 1050 G HN 0.928 nan 8.290 nan 0.000 0.483 1051 E N 2.423 122.558 120.200 -0.109 0.000 2.366 1051 E HA 0.402 4.646 4.350 -0.177 0.000 0.266 1051 E C 0.694 177.220 176.600 -0.123 0.000 1.015 1051 E CA 0.318 56.657 56.400 -0.102 0.000 0.906 1051 E CB 0.238 29.856 29.700 -0.136 0.000 0.979 1051 E HN 0.468 nan 8.360 nan 0.000 0.443 1052 T N 1.514 116.071 114.554 0.005 0.000 2.903 1052 T HA 0.096 4.340 4.350 -0.177 0.000 0.314 1052 T C 0.086 174.808 174.700 0.037 0.000 1.078 1052 T CA -0.483 61.647 62.100 0.050 0.000 1.114 1052 T CB 0.170 69.081 68.868 0.071 0.000 0.987 1052 T HN 0.357 nan 8.240 nan 0.000 0.548 1053 F N 0.475 120.459 119.950 0.058 0.000 2.403 1053 F HA 0.300 4.721 4.527 -0.177 0.000 0.320 1053 F C 1.902 177.766 175.800 0.105 0.000 1.176 1053 F CA -0.512 57.518 58.000 0.050 0.000 1.206 1053 F CB 0.687 39.668 39.000 -0.032 0.000 1.235 1053 F HN 0.859 nan 8.300 nan 0.000 0.565 1054 E N 0.336 120.733 120.200 0.328 0.000 2.102 1054 E HA 0.011 4.255 4.350 -0.177 0.000 0.190 1054 E C -0.126 176.567 176.600 0.155 0.000 0.971 1054 E CA 0.317 56.886 56.400 0.281 0.000 0.821 1054 E CB 0.336 30.194 29.700 0.262 0.000 0.777 1054 E HN 0.379 nan 8.360 nan 0.000 0.460 1055 V N 0.546 120.520 119.914 0.101 0.000 2.567 1055 V HA 0.488 4.502 4.120 -0.177 0.000 0.289 1055 V C -2.541 173.411 176.094 -0.237 0.000 1.049 1055 V CA -1.947 60.319 62.300 -0.057 0.000 0.969 1055 V CB 1.034 32.841 31.823 -0.026 0.000 0.995 1055 V HN 0.014 nan 8.190 nan 0.000 0.471 1056 P HA 0.519 nan 4.420 nan 0.000 0.286 1056 P C -0.931 176.135 177.300 -0.391 0.000 1.292 1056 P CA -0.863 61.896 63.100 -0.568 0.000 0.842 1056 P CB 1.327 32.367 31.700 -1.100 0.000 1.207 1057 V N 2.636 122.355 119.914 -0.325 0.000 2.258 1057 V HA 0.162 4.176 4.120 -0.177 0.000 0.258 1057 V C 1.727 177.685 176.094 -0.227 0.000 1.121 1057 V CA -0.156 61.991 62.300 -0.254 0.000 0.942 1057 V CB -0.349 31.327 31.823 -0.245 0.000 1.170 1057 V HN 0.492 nan 8.190 nan 0.000 0.487 1058 R N 1.542 121.924 120.500 -0.197 0.000 2.082 1058 R HA -0.073 4.162 4.340 -0.177 0.000 0.234 1058 R C 1.176 177.419 176.300 -0.095 0.000 1.136 1058 R CA 0.928 56.953 56.100 -0.126 0.000 0.935 1058 R CB -0.375 29.881 30.300 -0.074 0.000 0.842 1058 R HN 0.576 nan 8.270 nan 0.000 0.430 1059 S N 1.217 116.856 115.700 -0.103 0.000 2.542 1059 S HA -0.031 4.333 4.470 -0.177 0.000 0.287 1059 S C 0.606 175.127 174.600 -0.132 0.000 1.315 1059 S CA -0.009 58.133 58.200 -0.097 0.000 1.037 1059 S CB 0.532 63.670 63.200 -0.103 0.000 0.822 1059 S HN 0.454 nan 8.310 nan 0.000 0.513 1060 S N 1.072 116.723 115.700 -0.082 0.000 2.722 1060 S HA 0.540 4.904 4.470 -0.177 0.000 0.292 1060 S C 0.568 175.126 174.600 -0.071 0.000 1.135 1060 S CA -0.746 57.418 58.200 -0.060 0.000 1.003 1060 S CB 0.264 63.478 63.200 0.023 0.000 1.067 1060 S HN 0.439 nan 8.310 nan 0.000 0.546 1061 F N 0.880 120.826 119.950 -0.006 0.000 2.171 1061 F HA 0.064 4.485 4.527 -0.177 0.000 0.300 1061 F C 2.746 178.548 175.800 0.003 0.000 1.090 1061 F CA 1.460 59.455 58.000 -0.010 0.000 1.293 1061 F CB -0.405 38.586 39.000 -0.015 0.000 1.013 1061 F HN 0.708 nan 8.300 nan 0.000 0.486 1062 R N 0.746 121.359 120.500 0.188 0.000 2.080 1062 R HA -0.202 4.032 4.340 -0.177 0.000 0.236 1062 R C 2.021 178.366 176.300 0.076 0.000 1.137 1062 R CA 2.150 58.315 56.100 0.110 0.000 0.943 1062 R CB -0.393 29.951 30.300 0.073 0.000 0.846 1062 R HN 0.284 nan 8.270 nan 0.000 0.431 1063 E N -0.559 119.672 120.200 0.051 0.000 2.085 1063 E HA -0.039 4.205 4.350 -0.177 0.000 0.194 1063 E C 0.535 177.158 176.600 0.037 0.000 0.994 1063 E CA 0.923 57.340 56.400 0.028 0.000 0.801 1063 E CB -0.115 29.589 29.700 0.006 0.000 0.743 1063 E HN 0.619 nan 8.360 nan 0.000 0.453 1064 G N 0.002 108.831 108.800 0.048 0.000 2.784 1064 G HA2 -0.147 3.707 3.960 -0.177 0.000 0.686 1064 G HA3 -0.147 3.707 3.960 -0.177 0.000 0.686 1064 G C -0.646 174.273 174.900 0.032 0.000 1.156 1064 G CA -0.788 44.354 45.100 0.071 0.000 0.757 1064 G HN 0.053 nan 8.290 nan 0.000 0.642 1065 L N 0.882 122.142 121.223 0.061 0.000 2.431 1065 L HA 0.645 4.879 4.340 -0.177 0.000 0.260 1065 L C 1.271 178.191 176.870 0.085 0.000 1.098 1065 L CA -0.896 53.964 54.840 0.032 0.000 0.800 1065 L CB 1.316 43.374 42.059 -0.002 0.000 1.210 1065 L HN 0.661 nan 8.230 nan 0.000 0.465 1066 T N 0.009 114.594 114.554 0.052 0.000 2.904 1066 T HA 0.064 4.308 4.350 -0.177 0.000 0.290 1066 T C 1.097 175.863 174.700 0.109 0.000 1.018 1066 T CA -0.427 61.705 62.100 0.054 0.000 1.075 1066 T CB 2.114 70.992 68.868 0.016 0.000 0.986 1066 T HN 0.521 nan 8.240 nan 0.000 0.523 1067 V N 3.273 123.234 119.914 0.079 0.000 2.231 1067 V HA -0.154 3.860 4.120 -0.177 0.000 0.248 1067 V C 2.128 178.309 176.094 0.145 0.000 1.054 1067 V CA 1.884 64.240 62.300 0.094 0.000 1.015 1067 V CB -0.795 31.055 31.823 0.044 0.000 0.638 1067 V HN 0.722 nan 8.190 nan 0.000 0.444 1068 L N 0.744 122.010 121.223 0.070 0.000 1.956 1068 L HA -0.204 4.030 4.340 -0.177 0.000 0.216 1068 L C 2.597 179.510 176.870 0.072 0.000 1.073 1068 L CA 2.704 57.566 54.840 0.037 0.000 0.762 1068 L CB -1.327 40.718 42.059 -0.024 0.000 0.889 1068 L HN 0.562 nan 8.230 nan 0.000 0.433 1069 E N -1.613 118.603 120.200 0.027 0.000 2.045 1069 E HA -0.366 3.878 4.350 -0.177 0.000 0.212 1069 E C 2.119 178.743 176.600 0.040 0.000 1.039 1069 E CA 2.265 58.653 56.400 -0.021 0.000 0.860 1069 E CB -0.634 29.038 29.700 -0.047 0.000 0.776 1069 E HN 0.504 nan 8.360 nan 0.000 0.467 1070 Y N 0.472 120.766 120.300 -0.009 0.000 2.029 1070 Y HA -0.351 4.093 4.550 -0.177 0.000 0.269 1070 Y C 2.126 178.057 175.900 0.052 0.000 1.201 1070 Y CA 2.128 60.233 58.100 0.009 0.000 1.115 1070 Y CB -0.794 37.683 38.460 0.028 0.000 0.945 1070 Y HN 0.109 nan 8.280 nan 0.000 0.497 1071 F N 0.054 120.132 119.950 0.214 0.000 2.007 1071 F HA -0.362 4.059 4.527 -0.177 0.000 0.298 1071 F C 2.318 178.167 175.800 0.083 0.000 1.197 1071 F CA 2.228 60.303 58.000 0.126 0.000 1.195 1071 F CB -1.196 37.849 39.000 0.074 0.000 0.951 1071 F HN 0.087 nan 8.300 nan 0.000 0.512 1072 I N 0.077 121.010 120.570 0.605 0.000 2.237 1072 I HA -0.523 3.541 4.170 -0.177 0.000 0.245 1072 I C 2.677 178.902 176.117 0.180 0.000 1.013 1072 I CA 1.886 63.342 61.300 0.260 0.000 1.298 1072 I CB -1.552 36.255 38.000 -0.321 0.000 0.995 1072 I HN 0.429 nan 8.210 nan 0.000 0.422 1073 S N 0.917 116.625 115.700 0.014 0.000 2.378 1073 S HA -0.319 4.045 4.470 -0.177 0.000 0.221 1073 S C 2.315 176.957 174.600 0.070 0.000 1.037 1073 S CA 3.032 61.217 58.200 -0.025 0.000 1.069 1073 S CB -0.813 62.296 63.200 -0.151 0.000 1.006 1073 S HN 0.702 nan 8.310 nan 0.000 0.423 1074 S N 1.308 116.994 115.700 -0.023 0.000 2.511 1074 S HA -0.412 3.952 4.470 -0.177 0.000 0.282 1074 S C 1.426 175.984 174.600 -0.069 0.000 1.179 1074 S CA 2.437 60.577 58.200 -0.100 0.000 1.125 1074 S CB -1.871 61.165 63.200 -0.273 0.000 1.035 1074 S HN 0.831 nan 8.310 nan 0.000 0.452 1075 H N 2.004 121.067 119.070 -0.012 0.000 2.267 1075 H HA 0.008 4.457 4.556 -0.177 0.000 0.291 1075 H C 2.662 178.005 175.328 0.025 0.000 1.094 1075 H CA 1.909 57.984 56.048 0.046 0.000 1.227 1075 H CB -1.249 28.616 29.762 0.171 0.000 1.351 1075 H HN 0.562 nan 8.280 nan 0.000 0.483 1076 G N -0.068 108.839 108.800 0.179 0.000 2.422 1076 G HA2 -0.227 3.627 3.960 -0.177 0.000 0.218 1076 G HA3 -0.227 3.627 3.960 -0.177 0.000 0.218 1076 G C 1.946 176.848 174.900 0.005 0.000 1.146 1076 G CA 1.012 46.151 45.100 0.064 0.000 0.769 1076 G HN 0.587 nan 8.290 nan 0.000 0.547 1077 A N 0.766 123.586 122.820 -0.000 0.000 1.892 1077 A HA -0.113 4.101 4.320 -0.177 0.000 0.218 1077 A C 2.512 180.075 177.584 -0.035 0.000 1.188 1077 A CA 1.795 53.816 52.037 -0.027 0.000 0.631 1077 A CB -0.371 18.605 19.000 -0.040 0.000 0.822 1077 A HN 0.252 nan 8.150 nan 0.000 0.447 1078 R N -0.202 120.275 120.500 -0.038 0.000 2.107 1078 R HA -0.098 4.136 4.340 -0.177 0.000 0.223 1078 R C 2.071 178.352 176.300 -0.032 0.000 1.138 1078 R CA 1.738 57.813 56.100 -0.041 0.000 0.900 1078 R CB -1.044 29.229 30.300 -0.045 0.000 0.814 1078 R HN 0.621 nan 8.270 nan 0.000 0.437 1079 K N -0.308 120.080 120.400 -0.020 0.000 2.184 1079 K HA -0.222 3.993 4.320 -0.177 0.000 0.210 1079 K C 2.028 178.591 176.600 -0.062 0.000 1.048 1079 K CA 1.695 57.960 56.287 -0.036 0.000 0.931 1079 K CB -0.509 31.968 32.500 -0.038 0.000 0.718 1079 K HN 0.419 nan 8.250 nan 0.000 0.465 1080 G N 0.689 109.452 108.800 -0.061 0.000 2.637 1080 G HA2 -0.226 3.629 3.960 -0.177 0.000 0.215 1080 G HA3 -0.226 3.629 3.960 -0.177 0.000 0.215 1080 G C 1.587 176.455 174.900 -0.053 0.000 1.289 1080 G CA 0.924 45.983 45.100 -0.067 0.000 0.816 1080 G HN 0.418 nan 8.290 nan 0.000 0.580 1081 G N 0.966 109.741 108.800 -0.043 0.000 2.499 1081 G HA2 0.038 3.892 3.960 -0.177 0.000 0.221 1081 G HA3 0.038 3.892 3.960 -0.177 0.000 0.221 1081 G C 1.824 176.702 174.900 -0.037 0.000 1.109 1081 G CA 1.776 46.854 45.100 -0.037 0.000 0.749 1081 G HN 0.734 nan 8.290 nan 0.000 0.568 1082 A N 1.159 123.956 122.820 -0.039 0.000 1.822 1082 A HA -0.048 4.166 4.320 -0.177 0.000 0.214 1082 A C 2.121 179.681 177.584 -0.039 0.000 1.245 1082 A CA 1.836 53.852 52.037 -0.035 0.000 0.608 1082 A CB -1.061 17.920 19.000 -0.032 0.000 0.896 1082 A HN 0.331 nan 8.150 nan 0.000 0.457 1083 D N -0.728 119.644 120.400 -0.046 0.000 2.370 1083 D HA -0.320 4.214 4.640 -0.177 0.000 0.190 1083 D C 1.925 178.198 176.300 -0.045 0.000 1.019 1083 D CA 3.203 57.173 54.000 -0.050 0.000 0.869 1083 D CB -0.778 39.979 40.800 -0.071 0.000 0.944 1083 D HN 0.424 nan 8.370 nan 0.000 0.456 1084 T N -0.139 114.388 114.554 -0.045 0.000 2.597 1084 T HA -0.239 4.005 4.350 -0.177 0.000 0.267 1084 T C 2.085 176.766 174.700 -0.031 0.000 1.053 1084 T CA 3.495 65.572 62.100 -0.038 0.000 1.165 1084 T CB -0.910 67.937 68.868 -0.036 0.000 0.863 1084 T HN 0.382 nan 8.240 nan 0.000 0.427 1085 A N 1.814 124.616 122.820 -0.030 0.000 1.944 1085 A HA -0.173 4.041 4.320 -0.177 0.000 0.222 1085 A C 2.504 180.071 177.584 -0.028 0.000 1.237 1085 A CA 2.434 54.454 52.037 -0.027 0.000 0.668 1085 A CB -1.340 17.643 19.000 -0.028 0.000 0.830 1085 A HN 0.686 nan 8.150 nan 0.000 0.471 1086 L N -2.016 119.186 121.223 -0.034 0.000 2.129 1086 L HA -0.241 3.994 4.340 -0.177 0.000 0.212 1086 L C 2.844 179.693 176.870 -0.035 0.000 1.087 1086 L CA 1.914 56.730 54.840 -0.041 0.000 0.757 1086 L CB -0.559 41.473 42.059 -0.046 0.000 0.896 1086 L HN 0.462 nan 8.230 nan 0.000 0.434 1087 R N -1.504 118.981 120.500 -0.025 0.000 2.121 1087 R HA -0.007 4.227 4.340 -0.177 0.000 0.206 1087 R C 2.332 178.628 176.300 -0.006 0.000 1.094 1087 R CA 1.083 57.175 56.100 -0.012 0.000 1.055 1087 R CB -0.514 29.778 30.300 -0.013 0.000 0.964 1087 R HN 0.112 nan 8.270 nan 0.000 0.473 1088 T N 1.057 115.604 114.554 -0.011 0.000 2.720 1088 T HA -0.158 4.086 4.350 -0.177 0.000 0.268 1088 T C 1.919 176.617 174.700 -0.003 0.000 1.037 1088 T CA 1.591 63.688 62.100 -0.006 0.000 1.144 1088 T CB -0.147 68.715 68.868 -0.011 0.000 0.864 1088 T HN 0.333 nan 8.240 nan 0.000 0.444 1089 A N 0.385 123.199 122.820 -0.009 0.000 1.851 1089 A HA 0.056 4.270 4.320 -0.177 0.000 0.216 1089 A C 1.175 178.759 177.584 0.000 0.000 1.195 1089 A CA 1.670 53.703 52.037 -0.007 0.000 0.622 1089 A CB -0.226 18.765 19.000 -0.016 0.000 0.831 1089 A HN 0.699 nan 8.150 nan 0.000 0.444 1090 D N -4.000 116.399 120.400 -0.002 0.000 2.734 1090 D HA 0.332 4.866 4.640 -0.177 0.000 0.224 1090 D C -0.733 175.577 176.300 0.018 0.000 1.222 1090 D CA 0.307 54.315 54.000 0.013 0.000 0.761 1090 D CB 1.228 42.037 40.800 0.016 0.000 1.569 1090 D HN -0.024 nan 8.370 nan 0.000 0.477 1091 S N 0.956 116.685 115.700 0.048 0.000 2.648 1091 S HA 0.204 4.568 4.470 -0.177 0.000 0.270 1091 S C 1.534 176.204 174.600 0.116 0.000 1.034 1091 S CA 0.891 59.139 58.200 0.081 0.000 1.376 1091 S CB 0.169 63.398 63.200 0.048 0.000 1.227 1091 S HN 0.595 nan 8.310 nan 0.000 0.676 1092 G N 1.014 109.862 108.800 0.080 0.000 2.550 1092 G HA2 -0.332 3.522 3.960 -0.177 0.000 0.222 1092 G HA3 -0.332 3.522 3.960 -0.177 0.000 0.222 1092 G C 1.041 175.980 174.900 0.067 0.000 1.113 1092 G CA 1.552 46.684 45.100 0.054 0.000 0.748 1092 G HN 0.627 nan 8.290 nan 0.000 0.585 1093 Y N 1.099 121.379 120.300 -0.033 0.000 2.110 1093 Y HA -0.370 4.074 4.550 -0.177 0.000 0.258 1093 Y C 2.400 178.260 175.900 -0.067 0.000 1.271 1093 Y CA 2.414 60.490 58.100 -0.041 0.000 1.080 1093 Y CB -1.017 37.425 38.460 -0.031 0.000 0.892 1093 Y HN 0.254 nan 8.280 nan 0.000 0.510 1094 L N 0.154 121.312 121.223 -0.108 0.000 1.921 1094 L HA -0.222 4.012 4.340 -0.177 0.000 0.219 1094 L C 2.366 179.086 176.870 -0.249 0.000 1.081 1094 L CA 3.426 58.111 54.840 -0.257 0.000 0.771 1094 L CB -1.657 40.329 42.059 -0.121 0.000 0.888 1094 L HN 0.503 nan 8.230 nan 0.000 0.433 1095 T N -0.403 114.061 114.554 -0.149 0.000 2.602 1095 T HA -0.423 3.821 4.350 -0.177 0.000 0.264 1095 T C 1.863 176.472 174.700 -0.152 0.000 1.085 1095 T CA 2.258 64.279 62.100 -0.131 0.000 1.164 1095 T CB -0.749 68.080 68.868 -0.065 0.000 0.860 1095 T HN 0.422 nan 8.240 nan 0.000 0.442 1096 R N 1.419 121.841 120.500 -0.129 0.000 2.196 1096 R HA -0.269 3.965 4.340 -0.177 0.000 0.244 1096 R C 2.427 178.590 176.300 -0.227 0.000 1.121 1096 R CA 2.171 58.184 56.100 -0.144 0.000 0.930 1096 R CB -0.201 30.033 30.300 -0.111 0.000 0.890 1096 R HN 0.333 nan 8.270 nan 0.000 0.435 1097 K N 0.178 120.401 120.400 -0.296 0.000 1.980 1097 K HA -0.219 3.995 4.320 -0.177 0.000 0.223 1097 K C 2.157 178.604 176.600 -0.255 0.000 1.052 1097 K CA 1.671 57.766 56.287 -0.321 0.000 0.974 1097 K CB -1.024 31.264 32.500 -0.354 0.000 0.734 1097 K HN 0.143 nan 8.250 nan 0.000 0.447 1098 L N 1.157 122.234 121.223 -0.243 0.000 2.030 1098 L HA -0.262 3.972 4.340 -0.177 0.000 0.222 1098 L C 2.623 179.431 176.870 -0.103 0.000 1.082 1098 L CA 1.531 56.267 54.840 -0.174 0.000 0.785 1098 L CB -1.531 40.404 42.059 -0.208 0.000 0.895 1098 L HN -0.000 nan 8.230 nan 0.000 0.439 1099 V N -0.295 119.553 119.914 -0.110 0.000 2.215 1099 V HA -0.374 3.640 4.120 -0.177 0.000 0.249 1099 V C 2.243 178.306 176.094 -0.053 0.000 1.054 1099 V CA 2.202 64.467 62.300 -0.059 0.000 1.012 1099 V CB -0.936 30.842 31.823 -0.074 0.000 0.639 1099 V HN 0.458 nan 8.190 nan 0.000 0.448 1100 D N 0.130 120.419 120.400 -0.185 0.000 2.172 1100 D HA -0.158 4.376 4.640 -0.177 0.000 0.196 1100 D C 2.057 178.297 176.300 -0.101 0.000 0.999 1100 D CA 1.761 55.577 54.000 -0.307 0.000 0.856 1100 D CB -0.197 40.105 40.800 -0.831 0.000 0.934 1100 D HN 0.428 nan 8.370 nan 0.000 0.453 1101 V N 0.414 120.281 119.914 -0.078 0.000 2.788 1101 V HA -0.082 3.933 4.120 -0.177 0.000 0.251 1101 V C 2.157 178.307 176.094 0.093 0.000 1.068 1101 V CA 1.841 64.154 62.300 0.022 0.000 1.090 1101 V CB -0.034 31.784 31.823 -0.008 0.000 0.710 1101 V HN 0.335 nan 8.190 nan 0.000 0.467 1102 T N -2.908 111.700 114.554 0.090 0.000 3.145 1102 T HA 0.064 4.308 4.350 -0.177 0.000 0.281 1102 T C 1.633 176.381 174.700 0.081 0.000 1.003 1102 T CA 0.226 62.373 62.100 0.080 0.000 0.901 1102 T CB -0.267 68.634 68.868 0.056 0.000 1.112 1102 T HN 0.624 nan 8.240 nan 0.000 0.535 1103 H N 3.141 122.211 119.070 0.001 0.000 2.267 1103 H HA -0.138 4.312 4.556 -0.177 0.000 0.297 1103 H C 1.868 177.193 175.328 -0.005 0.000 1.080 1103 H CA 2.130 58.176 56.048 -0.003 0.000 1.278 1103 H CB -0.622 29.143 29.762 0.004 0.000 1.365 1103 H HN 0.533 nan 8.280 nan 0.000 0.489 1104 E N 2.664 122.240 120.200 -1.041 0.000 2.147 1104 E HA -0.171 4.073 4.350 -0.177 0.000 0.199 1104 E C 1.140 177.595 176.600 -0.243 0.000 1.005 1104 E CA 0.592 56.572 56.400 -0.701 0.000 0.810 1104 E CB -1.110 28.259 29.700 -0.552 0.000 0.736 1104 E HN 0.637 nan 8.360 nan 0.000 0.460 1105 I N 2.231 122.724 120.570 -0.129 0.000 2.752 1105 I HA -0.060 4.004 4.170 -0.177 0.000 0.286 1105 I C -0.076 176.001 176.117 -0.066 0.000 1.180 1105 I CA 0.228 61.501 61.300 -0.045 0.000 1.404 1105 I CB 0.157 38.145 38.000 -0.019 0.000 1.389 1105 I HN -0.124 nan 8.210 nan 0.000 0.549 1106 V N 6.550 126.430 119.914 -0.056 0.000 3.130 1106 V HA 0.280 4.294 4.120 -0.177 0.000 0.310 1106 V C -0.133 175.896 176.094 -0.109 0.000 1.158 1106 V CA -0.913 61.335 62.300 -0.087 0.000 1.029 1106 V CB 2.288 34.072 31.823 -0.064 0.000 1.057 1106 V HN 0.297 nan 8.190 nan 0.000 0.436 1107 V N 2.961 122.784 119.914 -0.152 0.000 2.421 1107 V HA 0.220 4.234 4.120 -0.177 0.000 0.271 1107 V C 0.971 176.975 176.094 -0.149 0.000 1.031 1107 V CA 0.451 62.648 62.300 -0.172 0.000 1.032 1107 V CB -0.034 31.664 31.823 -0.209 0.000 1.009 1107 V HN 0.869 nan 8.190 nan 0.000 0.477 1108 R N 2.441 122.861 120.500 -0.133 0.000 2.167 1108 R HA 0.285 4.519 4.340 -0.177 0.000 0.195 1108 R C 0.570 176.782 176.300 -0.147 0.000 1.027 1108 R CA -0.015 56.018 56.100 -0.112 0.000 1.114 1108 R CB 0.577 30.833 30.300 -0.073 0.000 1.075 1108 R HN 0.645 nan 8.270 nan 0.000 0.538 1109 E N -0.313 119.807 120.200 -0.135 0.000 2.446 1109 E HA 0.452 4.696 4.350 -0.177 0.000 0.251 1109 E C 0.240 176.754 176.600 -0.144 0.000 1.087 1109 E CA -0.191 56.137 56.400 -0.119 0.000 0.937 1109 E CB 1.291 30.945 29.700 -0.076 0.000 1.254 1109 E HN 0.152 nan 8.360 nan 0.000 0.479 1110 A N 0.024 122.789 122.820 -0.091 0.000 1.944 1110 A HA 0.066 4.280 4.320 -0.177 0.000 0.209 1110 A C 0.279 177.848 177.584 -0.024 0.000 1.328 1110 A CA 0.528 52.528 52.037 -0.062 0.000 0.693 1110 A CB 0.426 19.414 19.000 -0.021 0.000 0.994 1110 A HN 0.512 nan 8.150 nan 0.000 0.485 1111 D N -0.800 119.590 120.400 -0.017 0.000 2.696 1111 D HA 0.301 4.835 4.640 -0.177 0.000 0.251 1111 D C 0.530 176.819 176.300 -0.018 0.000 1.188 1111 D CA 0.043 54.037 54.000 -0.010 0.000 0.876 1111 D CB 1.750 42.552 40.800 0.004 0.000 1.334 1111 D HN 0.305 nan 8.370 nan 0.000 0.540 1112 C N 1.756 121.042 119.300 -0.023 0.000 2.634 1112 C HA 0.529 4.883 4.460 -0.177 0.000 0.268 1112 C C 1.699 176.678 174.990 -0.019 0.000 1.322 1112 C CA 0.564 59.564 59.018 -0.030 0.000 1.737 1112 C CB -0.768 26.948 27.740 -0.041 0.000 1.976 1112 C HN 0.801 nan 8.230 nan 0.000 0.547 1113 G N 0.454 109.249 108.800 -0.010 0.000 2.199 1113 G HA2 -0.259 3.595 3.960 -0.177 0.000 0.254 1113 G HA3 -0.259 3.595 3.960 -0.177 0.000 0.254 1113 G C 0.323 175.226 174.900 0.005 0.000 0.982 1113 G CA 0.667 45.766 45.100 -0.001 0.000 0.632 1113 G HN 0.978 nan 8.290 nan 0.000 0.529 1114 T N 1.969 116.523 114.554 0.001 0.000 2.704 1114 T HA 0.309 4.553 4.350 -0.177 0.000 0.271 1114 T C 2.193 176.912 174.700 0.032 0.000 1.000 1114 T CA 1.862 63.967 62.100 0.008 0.000 1.216 1114 T CB 0.099 68.968 68.868 0.001 0.000 0.961 1114 T HN 1.065 nan 8.240 nan 0.000 0.515 1115 T N 3.008 117.582 114.554 0.033 0.000 2.821 1115 T HA -0.089 4.155 4.350 -0.177 0.000 0.267 1115 T C 1.066 175.827 174.700 0.101 0.000 1.046 1115 T CA 0.746 62.882 62.100 0.059 0.000 1.139 1115 T CB -0.293 68.601 68.868 0.042 0.000 0.871 1115 T HN 0.795 nan 8.240 nan 0.000 0.454 1116 N N 1.626 120.344 118.700 0.030 0.000 2.381 1116 N HA 0.347 4.981 4.740 -0.177 0.000 0.254 1116 N C -0.154 175.350 175.510 -0.010 0.000 1.264 1116 N CA -0.419 52.583 53.050 -0.081 0.000 0.942 1116 N CB 0.764 39.162 38.487 -0.149 0.000 1.190 1116 N HN 0.624 nan 8.380 nan 0.000 0.495 1117 Y N -2.478 117.809 120.300 -0.022 0.000 2.894 1117 Y HA 0.650 5.094 4.550 -0.176 0.000 0.271 1117 Y C -0.908 174.977 175.900 -0.026 0.000 1.862 1117 Y CA -1.374 56.706 58.100 -0.032 0.000 1.059 1117 Y CB 0.469 38.904 38.460 -0.040 0.000 2.788 1117 Y HN 0.585 nan 8.280 nan 0.000 0.361 1118 I N -1.012 119.749 120.570 0.317 0.000 2.994 1118 I HA 0.840 4.905 4.170 -0.177 0.000 0.306 1118 I C -1.368 174.973 176.117 0.372 0.000 1.195 1118 I CA -1.040 60.367 61.300 0.177 0.000 1.001 1118 I CB 2.695 40.740 38.000 0.076 0.000 1.244 1118 I HN 0.460 nan 8.210 nan 0.000 0.437 1119 S N 2.732 118.558 115.700 0.210 0.000 2.640 1119 S HA 0.497 4.861 4.470 -0.177 0.000 0.320 1119 S C -0.459 174.190 174.600 0.082 0.000 1.097 1119 S CA -0.521 57.781 58.200 0.170 0.000 1.092 1119 S CB 1.517 64.837 63.200 0.200 0.000 0.988 1119 S HN 0.431 nan 8.310 nan 0.000 0.470 1120 V N 7.224 127.165 119.914 0.045 0.000 2.508 1120 V HA 0.269 4.283 4.120 -0.177 0.000 0.281 1120 V C -1.584 174.523 176.094 0.021 0.000 1.041 1120 V CA -1.394 60.915 62.300 0.015 0.000 1.016 1120 V CB 0.356 32.167 31.823 -0.020 0.000 0.984 1120 V HN 0.615 nan 8.190 nan 0.000 0.478 1121 P HA 0.324 nan 4.420 nan 0.000 0.277 1121 P C -0.151 177.137 177.300 -0.019 0.000 1.271 1121 P CA -0.291 62.846 63.100 0.060 0.000 0.795 1121 P CB 1.409 33.158 31.700 0.082 0.000 1.101 1122 L N -2.079 119.105 121.223 -0.065 0.000 3.217 1122 L HA 0.407 4.642 4.340 -0.177 0.000 0.288 1122 L C -0.036 176.387 176.870 -0.746 0.000 1.202 1122 L CA -0.028 54.562 54.840 -0.417 0.000 1.027 1122 L CB -0.001 41.715 42.059 -0.572 0.000 1.427 1122 L HN 0.170 nan 8.230 nan 0.000 0.600 1123 F N 0.540 120.491 119.950 0.001 0.000 2.603 1123 F HA 0.562 4.983 4.527 -0.176 0.000 0.317 1123 F C -0.349 175.455 175.800 0.006 0.000 1.066 1123 F CA -0.810 57.193 58.000 0.004 0.000 0.941 1123 F CB 1.808 40.811 39.000 0.006 0.000 1.291 1123 F HN -0.126 nan 8.300 nan 0.000 0.472 1124 Q N 0.751 120.674 119.800 0.205 0.000 2.304 1124 Q HA 0.487 4.721 4.340 -0.177 0.000 0.270 1124 Q C -2.896 173.166 176.000 0.104 0.000 1.035 1124 Q CA -1.956 53.917 55.803 0.116 0.000 0.781 1124 Q CB 2.779 31.558 28.738 0.069 0.000 1.261 1124 Q HN 0.183 nan 8.270 nan 0.000 0.444 1125 P HA -0.138 nan 4.420 nan 0.000 0.211 1125 P C 0.461 177.784 177.300 0.038 0.000 1.191 1125 P CA 0.770 63.901 63.100 0.051 0.000 0.909 1125 P CB 0.177 31.901 31.700 0.041 0.000 0.770 1126 D N -0.577 119.843 120.400 0.033 0.000 2.358 1126 D HA -0.114 4.420 4.640 -0.177 0.000 0.241 1126 D C 1.329 177.643 176.300 0.024 0.000 1.094 1126 D CA 0.280 54.295 54.000 0.024 0.000 0.907 1126 D CB -0.029 40.782 40.800 0.018 0.000 0.893 1126 D HN -0.030 nan 8.370 nan 0.000 0.528 1127 E N 0.041 120.258 120.200 0.029 0.000 2.171 1127 E HA -0.113 4.131 4.350 -0.177 0.000 0.197 1127 E C 1.076 177.688 176.600 0.019 0.000 0.997 1127 E CA 0.575 56.989 56.400 0.025 0.000 0.810 1127 E CB 0.209 29.927 29.700 0.029 0.000 0.738 1127 E HN 0.324 nan 8.360 nan 0.000 0.467 1128 V N -3.434 116.492 119.914 0.020 0.000 3.126 1128 V HA 0.411 4.425 4.120 -0.177 0.000 0.314 1128 V C 0.245 176.348 176.094 0.015 0.000 1.138 1128 V CA -0.941 61.368 62.300 0.015 0.000 1.034 1128 V CB 1.575 33.407 31.823 0.016 0.000 1.075 1128 V HN -0.231 nan 8.190 nan 0.000 0.442 1129 T N 2.716 117.277 114.554 0.012 0.000 3.058 1129 T HA 0.216 4.460 4.350 -0.177 0.000 0.249 1129 T C 0.885 175.593 174.700 0.014 0.000 0.949 1129 T CA 0.896 63.003 62.100 0.012 0.000 1.204 1129 T CB -0.960 67.915 68.868 0.011 0.000 0.963 1129 T HN 0.896 nan 8.240 nan 0.000 0.634 1130 R N 0.728 121.238 120.500 0.016 0.000 3.922 1130 R HA -0.159 4.075 4.340 -0.177 0.000 0.447 1130 R C 0.762 177.071 176.300 0.015 0.000 1.035 1130 R CA 1.103 57.214 56.100 0.017 0.000 1.289 1130 R CB -2.260 28.050 30.300 0.017 0.000 1.906 1130 R HN 0.657 nan 8.270 nan 0.000 0.540 1131 S N -0.390 115.319 115.700 0.015 0.000 2.576 1131 S HA 0.335 4.700 4.470 -0.177 0.000 0.272 1131 S C 0.218 174.829 174.600 0.019 0.000 1.352 1131 S CA -0.487 57.720 58.200 0.011 0.000 1.021 1131 S CB 0.514 63.723 63.200 0.015 0.000 0.887 1131 S HN 0.228 nan 8.310 nan 0.000 0.542 1132 L N 3.037 124.264 121.223 0.006 0.000 2.379 1132 L HA 0.667 4.901 4.340 -0.177 0.000 0.269 1132 L C 0.312 177.242 176.870 0.099 0.000 1.084 1132 L CA 0.178 55.031 54.840 0.022 0.000 0.802 1132 L CB 1.316 43.316 42.059 -0.099 0.000 1.175 1132 L HN 0.863 nan 8.230 nan 0.000 0.448 1133 R N 2.790 123.424 120.500 0.223 0.000 2.515 1133 R HA 0.410 4.644 4.340 -0.177 0.000 0.278 1133 R C -1.519 174.980 176.300 0.333 0.000 1.107 1133 R CA -0.859 55.393 56.100 0.253 0.000 0.945 1133 R CB 1.288 31.661 30.300 0.122 0.000 1.219 1133 R HN 0.547 nan 8.270 nan 0.000 0.434 1134 L N 3.311 124.693 121.223 0.266 0.000 2.506 1134 L HA 0.226 4.460 4.340 -0.177 0.000 0.281 1134 L C -0.159 176.613 176.870 -0.163 0.000 1.228 1134 L CA 0.784 55.499 54.840 -0.209 0.000 0.850 1134 L CB 0.420 42.379 42.059 -0.168 0.000 1.110 1134 L HN 0.607 nan 8.230 nan 0.000 0.496 1135 R N 2.987 123.325 120.500 -0.270 0.000 2.543 1135 R HA 0.358 4.592 4.340 -0.177 0.000 0.268 1135 R C -0.394 175.833 176.300 -0.122 0.000 1.067 1135 R CA -0.864 55.146 56.100 -0.149 0.000 1.142 1135 R CB 0.554 30.762 30.300 -0.154 0.000 1.110 1135 R HN 0.556 nan 8.270 nan 0.000 0.549 1136 K N 1.817 122.170 120.400 -0.078 0.000 2.326 1136 K HA 0.076 4.290 4.320 -0.177 0.000 0.275 1136 K C 1.119 177.677 176.600 -0.070 0.000 1.018 1136 K CA -0.218 56.032 56.287 -0.060 0.000 0.962 1136 K CB 0.816 33.291 32.500 -0.041 0.000 0.953 1136 K HN 0.452 nan 8.250 nan 0.000 0.475 1137 R N 1.648 122.115 120.500 -0.055 0.000 2.154 1137 R HA -0.312 3.922 4.340 -0.177 0.000 0.236 1137 R C 2.191 178.449 176.300 -0.069 0.000 1.121 1137 R CA 2.000 58.070 56.100 -0.050 0.000 0.915 1137 R CB -0.994 29.302 30.300 -0.007 0.000 0.856 1137 R HN 0.856 nan 8.270 nan 0.000 0.431 1138 A N 2.025 124.809 122.820 -0.059 0.000 1.900 1138 A HA -0.356 3.858 4.320 -0.177 0.000 0.225 1138 A C 1.767 179.296 177.584 -0.092 0.000 1.414 1138 A CA 2.665 54.659 52.037 -0.071 0.000 0.702 1138 A CB -1.135 17.834 19.000 -0.051 0.000 0.845 1138 A HN 0.444 nan 8.150 nan 0.000 0.478 1139 D N -0.139 120.213 120.400 -0.081 0.000 2.137 1139 D HA -0.187 4.347 4.640 -0.177 0.000 0.189 1139 D C 1.825 178.051 176.300 -0.124 0.000 0.998 1139 D CA 1.692 55.637 54.000 -0.092 0.000 0.839 1139 D CB -0.526 40.230 40.800 -0.074 0.000 0.962 1139 D HN 0.565 nan 8.370 nan 0.000 0.446 1140 I N 0.984 121.483 120.570 -0.119 0.000 2.091 1140 I HA -0.316 3.748 4.170 -0.177 0.000 0.239 1140 I C 2.316 178.344 176.117 -0.147 0.000 1.061 1140 I CA 1.558 62.780 61.300 -0.131 0.000 1.317 1140 I CB -0.549 37.375 38.000 -0.127 0.000 1.031 1140 I HN 0.114 nan 8.210 nan 0.000 0.401 1141 E N 1.272 121.385 120.200 -0.144 0.000 2.049 1141 E HA -0.280 3.964 4.350 -0.177 0.000 0.198 1141 E C 2.309 178.789 176.600 -0.200 0.000 1.007 1141 E CA 1.512 57.817 56.400 -0.158 0.000 0.809 1141 E CB -0.407 29.186 29.700 -0.178 0.000 0.749 1141 E HN 0.561 nan 8.360 nan 0.000 0.450 1142 A N 1.178 123.858 122.820 -0.234 0.000 1.997 1142 A HA -0.193 4.021 4.320 -0.177 0.000 0.221 1142 A C 2.381 179.531 177.584 -0.724 0.000 1.172 1142 A CA 1.989 53.799 52.037 -0.379 0.000 0.645 1142 A CB -1.028 17.833 19.000 -0.232 0.000 0.813 1142 A HN 0.393 nan 8.150 nan 0.000 0.454 1143 G N -1.665 106.885 108.800 -0.417 0.000 2.662 1143 G HA2 0.268 4.122 3.960 -0.177 0.000 0.212 1143 G HA3 0.268 4.122 3.960 -0.177 0.000 0.212 1143 G C 1.216 175.994 174.900 -0.204 0.000 1.141 1143 G CA 0.706 45.603 45.100 -0.337 0.000 0.797 1143 G HN 0.437 nan 8.290 nan 0.000 0.531 1144 L N -1.246 119.894 121.223 -0.137 0.000 2.920 1144 L HA 0.359 4.593 4.340 -0.177 0.000 0.257 1144 L C 0.673 177.562 176.870 0.031 0.000 1.150 1144 L CA -0.693 54.120 54.840 -0.044 0.000 0.959 1144 L CB 0.181 42.200 42.059 -0.068 0.000 1.321 1144 L HN 0.193 nan 8.230 nan 0.000 0.555 1145 Y N 1.665 121.934 120.300 -0.052 0.000 2.788 1145 Y HA 0.083 4.528 4.550 -0.176 0.000 0.341 1145 Y C 1.620 177.426 175.900 -0.158 0.000 1.258 1145 Y CA 0.652 58.706 58.100 -0.076 0.000 1.503 1145 Y CB 0.795 39.246 38.460 -0.015 0.000 1.325 1145 Y HN 0.244 nan 8.280 nan 0.000 0.614 1146 G N 4.653 112.702 108.800 -1.253 0.000 2.352 1146 G HA2 -0.323 3.531 3.960 -0.177 0.000 0.295 1146 G HA3 -0.323 3.531 3.960 -0.177 0.000 0.295 1146 G C 0.347 174.778 174.900 -0.781 0.000 0.991 1146 G CA 0.219 44.280 45.100 -1.732 0.000 0.796 1146 G HN 0.535 nan 8.290 nan 0.000 0.511 1147 R N -1.075 119.134 120.500 -0.485 0.000 2.577 1147 R HA 0.492 4.726 4.340 -0.177 0.000 0.269 1147 R C 0.273 176.320 176.300 -0.423 0.000 1.084 1147 R CA -0.567 55.317 56.100 -0.360 0.000 1.163 1147 R CB 1.037 31.208 30.300 -0.215 0.000 1.100 1147 R HN 0.109 nan 8.270 nan 0.000 0.547 1148 V N 3.203 122.839 119.914 -0.463 0.000 2.370 1148 V HA 0.137 4.151 4.120 -0.177 0.000 0.283 1148 V C 0.163 176.069 176.094 -0.313 0.000 1.023 1148 V CA -0.979 60.990 62.300 -0.552 0.000 0.857 1148 V CB 1.322 32.730 31.823 -0.692 0.000 0.985 1148 V HN 0.457 nan 8.190 nan 0.000 0.443 1149 L N 5.236 126.313 121.223 -0.244 0.000 2.559 1149 L HA 0.279 4.513 4.340 -0.177 0.000 0.274 1149 L C 1.285 178.033 176.870 -0.202 0.000 1.205 1149 L CA 1.122 55.847 54.840 -0.190 0.000 0.907 1149 L CB 0.519 42.498 42.059 -0.133 0.000 1.153 1149 L HN 0.787 nan 8.230 nan 0.000 0.490 1150 A N 6.135 128.793 122.820 -0.269 0.000 1.832 1150 A HA 0.096 4.310 4.320 -0.177 0.000 0.214 1150 A C 0.998 178.420 177.584 -0.270 0.000 1.204 1150 A CA 0.888 52.727 52.037 -0.329 0.000 0.606 1150 A CB -0.068 18.479 19.000 -0.755 0.000 0.849 1150 A HN 0.670 nan 8.150 nan 0.000 0.445 1151 R N -0.119 120.199 120.500 -0.304 0.000 2.828 1151 R HA 0.425 4.659 4.340 -0.177 0.000 0.264 1151 R C -0.117 176.109 176.300 -0.123 0.000 1.022 1151 R CA -0.754 55.238 56.100 -0.181 0.000 1.021 1151 R CB 0.396 30.589 30.300 -0.179 0.000 1.163 1151 R HN 0.645 nan 8.270 nan 0.000 0.494 1152 E N 0.615 120.770 120.200 -0.074 0.000 2.447 1152 E HA 0.111 4.355 4.350 -0.177 0.000 0.259 1152 E C -0.930 175.639 176.600 -0.051 0.000 1.196 1152 E CA 0.022 56.392 56.400 -0.050 0.000 0.995 1152 E CB 0.686 30.369 29.700 -0.028 0.000 0.974 1152 E HN 0.171 nan 8.360 nan 0.000 0.465 1153 V N 2.719 122.612 119.914 -0.034 0.000 2.559 1153 V HA 0.104 4.118 4.120 -0.177 0.000 0.289 1153 V C -0.922 175.165 176.094 -0.011 0.000 1.036 1153 V CA -0.765 61.519 62.300 -0.027 0.000 0.887 1153 V CB 1.386 33.189 31.823 -0.033 0.000 1.022 1153 V HN 0.669 nan 8.190 nan 0.000 0.442 1154 E N 3.718 123.914 120.200 -0.006 0.000 2.223 1154 E HA 0.657 4.902 4.350 -0.177 0.000 0.282 1154 E C -0.912 175.691 176.600 0.006 0.000 1.046 1154 E CA 0.163 56.564 56.400 0.002 0.000 0.857 1154 E CB 1.237 30.938 29.700 0.002 0.000 1.055 1154 E HN 0.477 nan 8.360 nan 0.000 0.409 1155 V N 4.854 124.774 119.914 0.010 0.000 3.147 1155 V HA 0.148 4.162 4.120 -0.177 0.000 0.299 1155 V C -0.072 176.033 176.094 0.018 0.000 1.302 1155 V CA -1.080 61.229 62.300 0.015 0.000 1.015 1155 V CB 1.854 33.687 31.823 0.017 0.000 1.086 1155 V HN 0.772 nan 8.190 nan 0.000 0.437 1156 L N 2.948 124.184 121.223 0.020 0.000 4.061 1156 L HA -0.286 3.948 4.340 -0.177 0.000 0.466 1156 L C 1.468 178.349 176.870 0.019 0.000 1.140 1156 L CA 1.036 55.889 54.840 0.021 0.000 0.764 1156 L CB -1.636 40.438 42.059 0.025 0.000 1.688 1156 L HN 1.423 nan 8.230 nan 0.000 0.855 1157 G N -0.963 107.847 108.800 0.016 0.000 2.166 1157 G HA2 -0.263 3.591 3.960 -0.177 0.000 0.260 1157 G HA3 -0.263 3.591 3.960 -0.177 0.000 0.260 1157 G C 0.022 174.932 174.900 0.015 0.000 0.986 1157 G CA 0.405 45.514 45.100 0.015 0.000 0.683 1157 G HN 0.740 nan 8.290 nan 0.000 0.527 1158 V N 0.911 120.835 119.914 0.016 0.000 2.686 1158 V HA 0.827 4.841 4.120 -0.177 0.000 0.306 1158 V C 0.145 176.247 176.094 0.013 0.000 1.065 1158 V CA -0.754 61.556 62.300 0.016 0.000 0.894 1158 V CB 1.487 33.322 31.823 0.021 0.000 1.004 1158 V HN 0.618 nan 8.190 nan 0.000 0.424 1159 R N 6.090 126.597 120.500 0.011 0.000 2.540 1159 R HA 0.693 4.928 4.340 -0.177 0.000 0.287 1159 R C -1.238 175.065 176.300 0.006 0.000 0.980 1159 R CA -0.892 55.212 56.100 0.006 0.000 0.966 1159 R CB 1.611 31.914 30.300 0.005 0.000 1.106 1159 R HN 0.652 nan 8.270 nan 0.000 0.480 1160 L N 3.323 124.545 121.223 -0.002 0.000 2.356 1160 L HA 0.193 4.427 4.340 -0.177 0.000 0.264 1160 L C 0.073 176.936 176.870 -0.012 0.000 1.029 1160 L CA -0.763 54.075 54.840 -0.004 0.000 0.897 1160 L CB 1.141 43.193 42.059 -0.011 0.000 1.256 1160 L HN 0.770 nan 8.230 nan 0.000 0.444 1161 E N 2.118 122.317 120.200 -0.001 0.000 3.231 1161 E HA -0.168 4.076 4.350 -0.177 0.000 0.271 1161 E C -0.363 176.225 176.600 -0.019 0.000 0.877 1161 E CA 0.195 56.593 56.400 -0.003 0.000 0.973 1161 E CB 0.087 29.795 29.700 0.013 0.000 0.922 1161 E HN 0.604 nan 8.360 nan 0.000 0.532 1162 E N 2.920 123.101 120.200 -0.031 0.000 2.029 1162 E HA 0.320 4.564 4.350 -0.177 0.000 0.276 1162 E C 0.660 177.230 176.600 -0.050 0.000 1.163 1162 E CA -0.248 56.117 56.400 -0.059 0.000 0.909 1162 E CB 0.581 30.241 29.700 -0.068 0.000 1.046 1162 E HN 0.815 nan 8.360 nan 0.000 0.406 1163 G N 3.592 112.353 108.800 -0.065 0.000 2.370 1163 G HA2 -0.209 3.645 3.960 -0.177 0.000 0.174 1163 G HA3 -0.209 3.645 3.960 -0.177 0.000 0.174 1163 G C 0.109 174.998 174.900 -0.019 0.000 1.002 1163 G CA -0.519 44.547 45.100 -0.058 0.000 0.730 1163 G HN 0.516 nan 8.290 nan 0.000 0.497 1164 R N 0.394 120.888 120.500 -0.009 0.000 2.340 1164 R HA 0.528 4.763 4.340 -0.177 0.000 0.300 1164 R C -0.429 175.898 176.300 0.045 0.000 1.069 1164 R CA -0.427 55.713 56.100 0.066 0.000 0.984 1164 R CB 0.229 30.552 30.300 0.039 0.000 1.003 1164 R HN 0.112 nan 8.270 nan 0.000 0.459 1165 Y N 3.452 123.743 120.300 -0.015 0.000 2.304 1165 Y HA 0.119 4.563 4.550 -0.177 0.000 0.327 1165 Y C 0.447 176.264 175.900 -0.138 0.000 1.209 1165 Y CA -0.284 57.771 58.100 -0.074 0.000 1.299 1165 Y CB 0.991 39.493 38.460 0.069 0.000 1.249 1165 Y HN 0.377 nan 8.280 nan 0.000 0.519 1166 L N 3.805 124.930 121.223 -0.163 0.000 2.375 1166 L HA 0.179 4.413 4.340 -0.177 0.000 0.276 1166 L C 0.720 177.501 176.870 -0.148 0.000 1.162 1166 L CA -0.374 54.374 54.840 -0.153 0.000 0.991 1166 L CB -0.402 41.559 42.059 -0.164 0.000 1.315 1166 L HN 0.655 nan 8.230 nan 0.000 0.431 1167 S N 2.270 118.015 115.700 0.075 0.000 2.580 1167 S HA -0.028 4.336 4.470 -0.177 0.000 0.261 1167 S C 1.182 175.990 174.600 0.348 0.000 1.366 1167 S CA -0.318 58.064 58.200 0.304 0.000 0.996 1167 S CB 0.813 64.179 63.200 0.277 0.000 0.902 1167 S HN 0.594 nan 8.310 nan 0.000 0.566 1168 M N 1.721 121.607 119.600 0.476 0.000 2.059 1168 M HA -0.022 4.352 4.480 -0.177 0.000 0.259 1168 M C 1.388 177.673 176.300 -0.024 0.000 1.072 1168 M CA 2.332 57.705 55.300 0.121 0.000 1.117 1168 M CB -1.654 31.028 32.600 0.137 0.000 1.320 1168 M HN 0.884 nan 8.290 nan 0.000 0.408 1169 D N 0.259 120.761 120.400 0.170 0.000 2.127 1169 D HA -0.224 4.310 4.640 -0.177 0.000 0.190 1169 D C 1.538 177.912 176.300 0.124 0.000 1.000 1169 D CA 1.924 56.061 54.000 0.229 0.000 0.839 1169 D CB -0.479 40.445 40.800 0.207 0.000 0.955 1169 D HN 0.398 nan 8.370 nan 0.000 0.446 1170 D N 0.358 120.817 120.400 0.098 0.000 2.204 1170 D HA -0.199 4.335 4.640 -0.177 0.000 0.189 1170 D C 2.303 178.618 176.300 0.026 0.000 1.006 1170 D CA 1.041 55.079 54.000 0.063 0.000 0.855 1170 D CB -0.865 39.968 40.800 0.055 0.000 0.946 1170 D HN 0.127 nan 8.370 nan 0.000 0.448 1171 V N 1.594 121.491 119.914 -0.028 0.000 2.219 1171 V HA -0.310 3.704 4.120 -0.177 0.000 0.248 1171 V C 2.341 178.407 176.094 -0.047 0.000 1.053 1171 V CA 2.076 64.328 62.300 -0.080 0.000 1.009 1171 V CB -0.763 30.962 31.823 -0.163 0.000 0.636 1171 V HN 0.297 nan 8.190 nan 0.000 0.445 1172 H N -0.471 118.602 119.070 0.006 0.000 2.260 1172 H HA -0.259 4.191 4.556 -0.176 0.000 0.288 1172 H C 2.230 177.559 175.328 0.001 0.000 1.094 1172 H CA 2.422 58.468 56.048 -0.003 0.000 1.197 1172 H CB -0.958 28.809 29.762 0.008 0.000 1.346 1172 H HN 0.363 nan 8.280 nan 0.000 0.486 1173 L N 1.052 122.373 121.223 0.164 0.000 1.987 1173 L HA -0.266 3.968 4.340 -0.177 0.000 0.230 1173 L C 2.553 179.459 176.870 0.059 0.000 1.089 1173 L CA 1.905 56.800 54.840 0.091 0.000 0.802 1173 L CB -1.350 40.753 42.059 0.074 0.000 0.905 1173 L HN 0.260 nan 8.230 nan 0.000 0.441 1174 L N -0.861 120.385 121.223 0.039 0.000 1.991 1174 L HA -0.329 3.905 4.340 -0.177 0.000 0.221 1174 L C 2.586 179.466 176.870 0.018 0.000 1.079 1174 L CA 2.310 57.161 54.840 0.019 0.000 0.778 1174 L CB -0.868 41.189 42.059 -0.002 0.000 0.893 1174 L HN 0.406 nan 8.230 nan 0.000 0.437 1175 I N -0.235 120.343 120.570 0.013 0.000 2.091 1175 I HA -0.417 3.647 4.170 -0.177 0.000 0.240 1175 I C 2.805 178.932 176.117 0.018 0.000 1.046 1175 I CA 1.967 63.267 61.300 0.001 0.000 1.306 1175 I CB -0.522 37.498 38.000 0.033 0.000 1.018 1175 I HN 0.330 nan 8.210 nan 0.000 0.404 1176 K N 1.271 121.696 120.400 0.041 0.000 2.044 1176 K HA -0.260 3.954 4.320 -0.177 0.000 0.210 1176 K C 2.204 178.827 176.600 0.038 0.000 1.049 1176 K CA 1.867 58.176 56.287 0.037 0.000 0.927 1176 K CB -0.213 32.312 32.500 0.042 0.000 0.713 1176 K HN 0.341 nan 8.250 nan 0.000 0.443 1177 A N 0.948 123.792 122.820 0.040 0.000 1.908 1177 A HA -0.123 4.091 4.320 -0.177 0.000 0.218 1177 A C 2.316 179.937 177.584 0.061 0.000 1.181 1177 A CA 2.019 54.082 52.037 0.044 0.000 0.627 1177 A CB -0.792 18.231 19.000 0.038 0.000 0.818 1177 A HN 0.538 nan 8.150 nan 0.000 0.445 1178 A N -0.549 122.312 122.820 0.069 0.000 2.066 1178 A HA -0.071 4.143 4.320 -0.177 0.000 0.218 1178 A C 1.843 179.524 177.584 0.161 0.000 1.157 1178 A CA 1.312 53.430 52.037 0.135 0.000 0.670 1178 A CB -0.399 18.670 19.000 0.116 0.000 0.804 1178 A HN 0.646 nan 8.150 nan 0.000 0.453 1179 E N -0.036 120.220 120.200 0.093 0.000 2.150 1179 E HA -0.062 4.182 4.350 -0.177 0.000 0.193 1179 E C 1.509 178.158 176.600 0.082 0.000 0.985 1179 E CA 0.779 57.232 56.400 0.089 0.000 0.814 1179 E CB -0.193 29.537 29.700 0.050 0.000 0.752 1179 E HN 0.555 nan 8.360 nan 0.000 0.466 1180 A N 1.060 123.921 122.820 0.067 0.000 2.543 1180 A HA 0.270 4.485 4.320 -0.177 0.000 0.258 1180 A C 1.177 178.794 177.584 0.056 0.000 1.391 1180 A CA 0.457 52.525 52.037 0.052 0.000 1.066 1180 A CB -1.048 17.976 19.000 0.041 0.000 0.972 1180 A HN 0.236 nan 8.150 nan 0.000 0.560 1181 G N -0.055 108.792 108.800 0.079 0.000 2.424 1181 G HA2 -0.290 3.564 3.960 -0.177 0.000 0.290 1181 G HA3 -0.290 3.564 3.960 -0.177 0.000 0.290 1181 G C 0.392 175.322 174.900 0.051 0.000 0.912 1181 G CA 0.946 46.086 45.100 0.067 0.000 1.142 1181 G HN 0.736 nan 8.290 nan 0.000 0.501 1182 E N -1.510 118.734 120.200 0.073 0.000 2.562 1182 E HA 0.529 4.773 4.350 -0.177 0.000 0.214 1182 E C 0.495 177.132 176.600 0.061 0.000 0.979 1182 E CA -0.230 56.201 56.400 0.053 0.000 1.002 1182 E CB 0.288 30.015 29.700 0.046 0.000 1.048 1182 E HN 0.629 nan 8.360 nan 0.000 0.488 1183 I N -1.538 119.091 120.570 0.099 0.000 2.857 1183 I HA 0.057 4.121 4.170 -0.177 0.000 0.304 1183 I C -1.078 175.168 176.117 0.216 0.000 1.643 1183 I CA -0.190 61.175 61.300 0.109 0.000 0.942 1183 I CB 1.277 39.327 38.000 0.083 0.000 1.368 1183 I HN -0.135 nan 8.210 nan 0.000 0.583 1184 Q N 0.560 120.479 119.800 0.198 0.000 2.451 1184 Q HA 0.304 4.538 4.340 -0.177 0.000 0.216 1184 Q C -0.505 175.627 176.000 0.219 0.000 0.746 1184 Q CA -0.392 55.609 55.803 0.331 0.000 0.940 1184 Q CB 0.847 29.689 28.738 0.174 0.000 1.311 1184 Q HN 0.537 nan 8.270 nan 0.000 0.481 1185 E N 0.509 120.784 120.200 0.124 0.000 2.285 1185 E HA 0.575 4.820 4.350 -0.177 0.000 0.254 1185 E C -0.846 175.784 176.600 0.050 0.000 1.011 1185 E CA -0.757 55.696 56.400 0.088 0.000 0.873 1185 E CB 2.184 31.936 29.700 0.086 0.000 1.229 1185 E HN -0.128 nan 8.360 nan 0.000 0.422 1186 V N 1.520 121.455 119.914 0.034 0.000 2.624 1186 V HA 0.219 4.233 4.120 -0.177 0.000 0.294 1186 V C -2.598 173.471 176.094 -0.042 0.000 1.077 1186 V CA -1.659 60.633 62.300 -0.014 0.000 0.905 1186 V CB 1.919 33.724 31.823 -0.029 0.000 1.025 1186 V HN 0.426 nan 8.190 nan 0.000 0.440 1187 P HA 0.231 nan 4.420 nan 0.000 0.269 1187 P C -0.819 176.260 177.300 -0.368 0.000 1.252 1187 P CA 0.386 63.199 63.100 -0.478 0.000 0.780 1187 P CB 0.918 32.235 31.700 -0.638 0.000 0.829 1188 V N 5.103 124.896 119.914 -0.203 0.000 2.777 1188 V HA 0.386 4.400 4.120 -0.177 0.000 0.306 1188 V C -0.616 175.468 176.094 -0.018 0.000 1.112 1188 V CA -1.043 61.181 62.300 -0.127 0.000 0.917 1188 V CB 2.101 33.868 31.823 -0.094 0.000 1.018 1188 V HN 0.306 nan 8.190 nan 0.000 0.426 1189 R N 3.686 124.143 120.500 -0.071 0.000 2.489 1189 R HA 0.486 4.720 4.340 -0.177 0.000 0.287 1189 R C 0.089 176.361 176.300 -0.048 0.000 1.053 1189 R CA 0.411 56.495 56.100 -0.026 0.000 1.036 1189 R CB 1.089 31.339 30.300 -0.083 0.000 0.966 1189 R HN 0.836 nan 8.270 nan 0.000 0.432 1190 S N 2.788 118.483 115.700 -0.009 0.000 2.704 1190 S HA 0.466 4.830 4.470 -0.177 0.000 0.296 1190 S C -2.167 172.423 174.600 -0.016 0.000 1.138 1190 S CA -1.806 56.377 58.200 -0.028 0.000 0.875 1190 S CB 1.982 65.176 63.200 -0.010 0.000 1.151 1190 S HN 0.196 nan 8.310 nan 0.000 0.500 1191 P HA 0.065 nan 4.420 nan 0.000 0.215 1191 P C 1.569 178.866 177.300 -0.005 0.000 1.157 1191 P CA 1.038 64.145 63.100 0.011 0.000 0.859 1191 P CB -0.113 31.606 31.700 0.032 0.000 0.786 1192 L N -0.649 120.569 121.223 -0.008 0.000 1.991 1192 L HA -0.254 3.980 4.340 -0.177 0.000 0.221 1192 L C 2.378 179.234 176.870 -0.024 0.000 1.079 1192 L CA 2.665 57.496 54.840 -0.015 0.000 0.778 1192 L CB -2.246 39.804 42.059 -0.015 0.000 0.893 1192 L HN 0.155 nan 8.230 nan 0.000 0.437 1193 T N -3.466 111.075 114.554 -0.022 0.000 3.148 1193 T HA -0.010 4.234 4.350 -0.177 0.000 0.253 1193 T C 0.825 175.511 174.700 -0.024 0.000 1.134 1193 T CA -0.250 61.834 62.100 -0.027 0.000 1.051 1193 T CB -0.814 68.040 68.868 -0.023 0.000 0.959 1193 T HN 0.355 nan 8.240 nan 0.000 0.525 1194 C N 2.144 121.431 119.300 -0.022 0.000 2.662 1194 C HA 0.261 4.615 4.460 -0.177 0.000 0.420 1194 C C 1.412 176.375 174.990 -0.046 0.000 1.314 1194 C CA -0.212 58.789 59.018 -0.027 0.000 1.963 1194 C CB -0.166 27.562 27.740 -0.019 0.000 2.686 1194 C HN 0.699 nan 8.230 nan 0.000 0.609 1195 Q N 2.478 122.248 119.800 -0.051 0.000 2.188 1195 Q HA 0.131 4.365 4.340 -0.177 0.000 0.212 1195 Q C 0.441 176.385 176.000 -0.094 0.000 0.846 1195 Q CA -0.033 55.729 55.803 -0.068 0.000 0.989 1195 Q CB 0.413 29.120 28.738 -0.051 0.000 1.114 1195 Q HN 0.801 nan 8.270 nan 0.000 0.488 1196 T N 1.094 115.587 114.554 -0.102 0.000 2.918 1196 T HA 0.110 4.354 4.350 -0.177 0.000 0.302 1196 T C 0.145 174.711 174.700 -0.223 0.000 1.045 1196 T CA -0.304 61.709 62.100 -0.145 0.000 1.114 1196 T CB 0.892 69.687 68.868 -0.123 0.000 0.965 1196 T HN 0.159 nan 8.240 nan 0.000 0.540 1197 R N 2.655 122.941 120.500 -0.357 0.000 2.291 1197 R HA 0.101 4.335 4.340 -0.177 0.000 0.333 1197 R C 0.022 175.741 176.300 -0.969 0.000 1.082 1197 R CA -0.241 55.461 56.100 -0.663 0.000 0.948 1197 R CB -0.566 29.247 30.300 -0.811 0.000 1.009 1197 R HN 0.865 nan 8.270 nan 0.000 0.460 1198 Y N -0.563 119.683 120.300 -0.090 0.000 3.769 1198 Y HA -0.342 4.102 4.550 -0.177 0.000 0.214 1198 Y C 0.029 175.875 175.900 -0.091 0.000 1.142 1198 Y CA 0.401 58.443 58.100 -0.097 0.000 1.543 1198 Y CB -2.088 36.311 38.460 -0.101 0.000 1.467 1198 Y HN 0.657 nan 8.280 nan 0.000 0.620 1199 G N -1.750 107.028 108.800 -0.036 0.000 2.896 1199 G HA2 0.753 4.607 3.960 -0.177 0.000 0.247 1199 G HA3 0.753 4.607 3.960 -0.177 0.000 0.247 1199 G C -1.280 173.580 174.900 -0.066 0.000 1.187 1199 G CA -0.266 44.812 45.100 -0.037 0.000 0.837 1199 G HN 0.557 nan 8.290 nan 0.000 0.559 1200 V N -0.465 119.402 119.914 -0.078 0.000 3.048 1200 V HA 0.434 4.448 4.120 -0.177 0.000 0.303 1200 V C -0.048 176.004 176.094 -0.069 0.000 1.214 1200 V CA -0.825 61.440 62.300 -0.059 0.000 0.984 1200 V CB 1.447 33.258 31.823 -0.021 0.000 1.054 1200 V HN 1.392 nan 8.190 nan 0.000 0.430 1201 C N 1.829 121.100 119.300 -0.048 0.000 2.459 1201 C HA 0.479 4.833 4.460 -0.177 0.000 0.374 1201 C C 1.791 176.770 174.990 -0.018 0.000 1.241 1201 C CA -0.221 58.767 59.018 -0.051 0.000 2.352 1201 C CB 0.651 28.365 27.740 -0.043 0.000 2.490 1201 C HN 1.086 nan 8.230 nan 0.000 0.583 1202 Q N 1.110 120.892 119.800 -0.029 0.000 2.242 1202 Q HA -0.226 4.009 4.340 -0.177 0.000 0.211 1202 Q C 1.736 177.794 176.000 0.097 0.000 0.992 1202 Q CA 1.897 57.717 55.803 0.028 0.000 0.889 1202 Q CB 0.027 28.768 28.738 0.006 0.000 0.913 1202 Q HN 0.759 nan 8.270 nan 0.000 0.422 1203 K N -0.330 120.095 120.400 0.042 0.000 2.076 1203 K HA -0.021 4.194 4.320 -0.177 0.000 0.204 1203 K C 1.892 178.457 176.600 -0.059 0.000 1.051 1203 K CA 0.925 57.204 56.287 -0.013 0.000 0.949 1203 K CB -0.499 31.983 32.500 -0.030 0.000 0.726 1203 K HN 0.269 nan 8.250 nan 0.000 0.443 1204 C N 0.873 120.164 119.300 -0.015 0.000 2.525 1204 C HA 0.008 4.362 4.460 -0.177 0.000 0.279 1204 C C 2.076 177.073 174.990 0.012 0.000 1.437 1204 C CA -0.161 58.845 59.018 -0.020 0.000 1.704 1204 C CB -1.681 26.057 27.740 -0.003 0.000 1.672 1204 C HN 0.343 nan 8.230 nan 0.000 0.582 1205 Y N 0.833 121.078 120.300 -0.093 0.000 2.569 1205 Y HA 0.490 4.934 4.550 -0.177 0.000 0.278 1205 Y C 1.667 177.504 175.900 -0.105 0.000 1.130 1205 Y CA 1.625 59.668 58.100 -0.095 0.000 1.280 1205 Y CB -0.230 38.194 38.460 -0.060 0.000 1.379 1205 Y HN 0.298 nan 8.280 nan 0.000 0.508 1206 G N -0.434 108.411 108.800 0.076 0.000 2.516 1206 G HA2 -0.260 3.594 3.960 -0.177 0.000 0.220 1206 G HA3 -0.260 3.594 3.960 -0.177 0.000 0.220 1206 G C -0.927 174.255 174.900 0.470 0.000 1.165 1206 G CA -0.372 44.818 45.100 0.150 0.000 1.013 1206 G HN 0.169 nan 8.290 nan 0.000 0.590 1207 Y N 1.856 122.185 120.300 0.048 0.000 2.469 1207 Y HA 0.255 4.699 4.550 -0.177 0.000 0.353 1207 Y C 1.967 177.891 175.900 0.041 0.000 1.269 1207 Y CA 0.434 58.518 58.100 -0.027 0.000 1.504 1207 Y CB 0.363 38.676 38.460 -0.244 0.000 1.369 1207 Y HN 0.649 nan 8.280 nan 0.000 0.654 1208 D N -0.307 120.187 120.400 0.158 0.000 2.201 1208 D HA -0.081 4.453 4.640 -0.177 0.000 0.209 1208 D C 1.380 177.785 176.300 0.175 0.000 0.961 1208 D CA 1.101 55.200 54.000 0.166 0.000 0.861 1208 D CB 0.309 41.151 40.800 0.070 0.000 0.997 1208 D HN 0.686 nan 8.370 nan 0.000 0.486 1209 L N -0.393 120.919 121.223 0.149 0.000 4.110 1209 L HA -0.274 3.960 4.340 -0.177 0.000 0.404 1209 L C 1.538 178.476 176.870 0.114 0.000 0.763 1209 L CA 0.964 55.904 54.840 0.167 0.000 2.413 1209 L CB -1.601 40.561 42.059 0.171 0.000 1.244 1209 L HN 0.177 nan 8.230 nan 0.000 0.614 1210 S N -1.187 114.561 115.700 0.080 0.000 2.505 1210 S HA 0.410 4.774 4.470 -0.177 0.000 0.216 1210 S C 0.500 175.092 174.600 -0.013 0.000 1.018 1210 S CA -0.012 58.207 58.200 0.032 0.000 0.911 1210 S CB 0.401 63.631 63.200 0.050 0.000 0.818 1210 S HN 0.440 nan 8.310 nan 0.000 0.497 1211 M N 0.834 120.460 119.600 0.044 0.000 2.433 1211 M HA 0.710 5.084 4.480 -0.177 0.000 0.290 1211 M C -1.139 175.227 176.300 0.110 0.000 1.173 1211 M CA -0.906 54.484 55.300 0.149 0.000 0.905 1211 M CB 2.114 34.827 32.600 0.187 0.000 1.692 1211 M HN -0.043 nan 8.290 nan 0.000 0.462 1212 A N 3.429 126.401 122.820 0.252 0.000 3.004 1212 A HA 0.641 4.855 4.320 -0.177 0.000 0.286 1212 A C 0.017 177.300 177.584 -0.502 0.000 1.632 1212 A CA -0.306 51.754 52.037 0.039 0.000 1.339 1212 A CB -0.465 18.788 19.000 0.423 0.000 1.136 1212 A HN 0.937 nan 8.150 nan 0.000 0.577 1213 R N 0.446 120.480 120.500 -0.778 0.000 2.741 1213 R HA 0.556 4.790 4.340 -0.177 0.000 0.274 1213 R C -3.407 172.538 176.300 -0.592 0.000 1.029 1213 R CA -1.757 53.867 56.100 -0.794 0.000 0.880 1213 R CB 0.814 30.905 30.300 -0.349 0.000 1.264 1213 R HN 0.118 nan 8.270 nan 0.000 0.465 1214 P HA -0.033 nan 4.420 nan 0.000 0.266 1214 P C 0.308 177.572 177.300 -0.060 0.000 1.215 1214 P CA -0.117 62.830 63.100 -0.256 0.000 0.763 1214 P CB 1.098 32.483 31.700 -0.525 0.000 0.806 1215 V N 4.196 124.167 119.914 0.095 0.000 2.720 1215 V HA 0.002 4.016 4.120 -0.177 0.000 0.307 1215 V C 0.652 176.748 176.094 0.003 0.000 1.071 1215 V CA 0.512 62.855 62.300 0.072 0.000 1.199 1215 V CB 0.167 32.082 31.823 0.152 0.000 0.900 1215 V HN 0.813 nan 8.190 nan 0.000 0.494 1216 S N 6.995 122.679 115.700 -0.027 0.000 2.586 1216 S HA 0.603 4.967 4.470 -0.177 0.000 0.274 1216 S C -0.296 174.243 174.600 -0.101 0.000 1.281 1216 S CA -0.927 57.247 58.200 -0.044 0.000 1.035 1216 S CB 1.093 64.290 63.200 -0.005 0.000 0.962 1216 S HN 0.699 nan 8.310 nan 0.000 0.512 1217 I N 2.027 122.477 120.570 -0.200 0.000 2.948 1217 I HA 0.403 4.467 4.170 -0.177 0.000 0.290 1217 I C 1.658 177.669 176.117 -0.177 0.000 1.226 1217 I CA 1.268 62.366 61.300 -0.337 0.000 1.413 1217 I CB -0.658 36.794 38.000 -0.914 0.000 1.352 1217 I HN 1.104 nan 8.210 nan 0.000 0.597 1218 G N 2.373 111.080 108.800 -0.155 0.000 2.137 1218 G HA2 -0.257 3.597 3.960 -0.177 0.000 0.237 1218 G HA3 -0.257 3.597 3.960 -0.177 0.000 0.237 1218 G C 0.027 174.883 174.900 -0.072 0.000 1.002 1218 G CA 0.091 45.153 45.100 -0.063 0.000 0.702 1218 G HN 0.793 nan 8.290 nan 0.000 0.515 1219 E N 0.381 120.510 120.200 -0.117 0.000 2.283 1219 E HA 0.670 4.914 4.350 -0.177 0.000 0.278 1219 E C 0.724 177.243 176.600 -0.134 0.000 1.027 1219 E CA 0.175 56.500 56.400 -0.124 0.000 0.843 1219 E CB 0.895 30.490 29.700 -0.174 0.000 1.062 1219 E HN 0.879 nan 8.360 nan 0.000 0.401 1220 A N 5.084 127.846 122.820 -0.096 0.000 3.063 1220 A HA 0.176 4.390 4.320 -0.177 0.000 0.263 1220 A C 0.932 178.466 177.584 -0.083 0.000 1.736 1220 A CA -0.288 51.702 52.037 -0.078 0.000 1.408 1220 A CB -0.683 18.289 19.000 -0.047 0.000 1.108 1220 A HN 0.561 nan 8.150 nan 0.000 0.621 1221 V N 1.625 121.453 119.914 -0.144 0.000 2.261 1221 V HA -0.220 3.794 4.120 -0.177 0.000 0.246 1221 V C 2.903 178.989 176.094 -0.014 0.000 1.047 1221 V CA 2.408 64.624 62.300 -0.140 0.000 1.015 1221 V CB -1.349 30.268 31.823 -0.344 0.000 0.642 1221 V HN 0.729 nan 8.190 nan 0.000 0.446 1222 G N 0.867 109.654 108.800 -0.022 0.000 2.599 1222 G HA2 -0.292 3.562 3.960 -0.177 0.000 0.219 1222 G HA3 -0.292 3.562 3.960 -0.177 0.000 0.219 1222 G C 1.456 176.374 174.900 0.030 0.000 1.193 1222 G CA 1.464 46.574 45.100 0.018 0.000 0.778 1222 G HN 0.362 nan 8.290 nan 0.000 0.589 1223 I N 0.798 121.378 120.570 0.017 0.000 2.127 1223 I HA -0.148 3.916 4.170 -0.177 0.000 0.241 1223 I C 3.083 179.201 176.117 0.002 0.000 1.075 1223 I CA 0.689 61.998 61.300 0.015 0.000 1.334 1223 I CB -1.441 36.566 38.000 0.011 0.000 1.040 1223 I HN 0.060 nan 8.210 nan 0.000 0.405 1224 V N 1.529 121.449 119.914 0.010 0.000 2.231 1224 V HA -0.348 3.666 4.120 -0.177 0.000 0.248 1224 V C 2.877 178.945 176.094 -0.043 0.000 1.054 1224 V CA 2.300 64.606 62.300 0.010 0.000 1.015 1224 V CB -1.311 30.557 31.823 0.076 0.000 0.638 1224 V HN 0.506 nan 8.190 nan 0.000 0.444 1225 A N -0.103 122.766 122.820 0.082 0.000 1.873 1225 A HA -0.245 3.970 4.320 -0.177 0.000 0.218 1225 A C 2.468 180.015 177.584 -0.061 0.000 1.193 1225 A CA 2.811 54.895 52.037 0.078 0.000 0.629 1225 A CB -1.132 18.027 19.000 0.265 0.000 0.826 1225 A HN 0.682 nan 8.150 nan 0.000 0.447 1226 A N -1.015 121.790 122.820 -0.026 0.000 1.884 1226 A HA -0.318 3.896 4.320 -0.177 0.000 0.219 1226 A C 2.169 179.699 177.584 -0.090 0.000 1.197 1226 A CA 2.100 54.098 52.037 -0.066 0.000 0.637 1226 A CB -0.776 18.195 19.000 -0.050 0.000 0.827 1226 A HN 0.693 nan 8.150 nan 0.000 0.450 1227 Q N -0.603 119.153 119.800 -0.074 0.000 1.993 1227 Q HA -0.145 4.089 4.340 -0.177 0.000 0.202 1227 Q C 2.499 178.450 176.000 -0.083 0.000 0.984 1227 Q CA 1.834 57.604 55.803 -0.055 0.000 0.837 1227 Q CB -0.289 28.434 28.738 -0.024 0.000 0.902 1227 Q HN 0.678 nan 8.270 nan 0.000 0.423 1228 S N 0.690 116.283 115.700 -0.178 0.000 2.413 1228 S HA -0.212 4.152 4.470 -0.177 0.000 0.237 1228 S C 1.853 176.360 174.600 -0.155 0.000 1.044 1228 S CA 1.332 59.382 58.200 -0.250 0.000 1.024 1228 S CB -0.316 62.487 63.200 -0.661 0.000 0.829 1228 S HN 0.288 nan 8.310 nan 0.000 0.475 1229 I N 0.729 121.216 120.570 -0.138 0.000 2.270 1229 I HA 0.016 4.080 4.170 -0.177 0.000 0.239 1229 I C 2.794 178.926 176.117 0.025 0.000 1.080 1229 I CA 0.892 62.134 61.300 -0.097 0.000 1.383 1229 I CB -1.106 36.806 38.000 -0.147 0.000 1.097 1229 I HN 0.343 nan 8.210 nan 0.000 0.420 1230 G N 0.809 109.588 108.800 -0.034 0.000 2.514 1230 G HA2 -0.334 3.520 3.960 -0.177 0.000 0.217 1230 G HA3 -0.334 3.520 3.960 -0.177 0.000 0.217 1230 G C 1.518 176.438 174.900 0.034 0.000 1.198 1230 G CA 1.011 46.105 45.100 -0.010 0.000 0.780 1230 G HN 0.333 nan 8.290 nan 0.000 0.565 1231 E N 1.656 121.872 120.200 0.026 0.000 2.082 1231 E HA -0.197 4.047 4.350 -0.177 0.000 0.215 1231 E C 0.552 177.173 176.600 0.035 0.000 1.048 1231 E CA 2.315 58.733 56.400 0.030 0.000 0.869 1231 E CB -1.462 28.239 29.700 0.001 0.000 0.773 1231 E HN 0.292 nan 8.360 nan 0.000 0.466 1232 P HA -0.131 nan 4.420 nan 0.000 0.215 1232 P C 1.459 178.771 177.300 0.019 0.000 1.157 1232 P CA 2.275 65.427 63.100 0.087 0.000 0.874 1232 P CB -0.615 31.259 31.700 0.290 0.000 0.790 1233 G N -0.017 108.816 108.800 0.054 0.000 2.728 1233 G HA2 -0.394 3.460 3.960 -0.177 0.000 0.224 1233 G HA3 -0.394 3.460 3.960 -0.177 0.000 0.224 1233 G C 1.458 176.337 174.900 -0.036 0.000 1.139 1233 G CA 2.393 47.484 45.100 -0.016 0.000 0.761 1233 G HN 0.404 nan 8.290 nan 0.000 0.621 1234 T N -0.706 113.843 114.554 -0.009 0.000 3.052 1234 T HA -0.074 4.170 4.350 -0.177 0.000 0.270 1234 T C 1.671 176.353 174.700 -0.031 0.000 1.147 1234 T CA 1.712 63.805 62.100 -0.012 0.000 1.089 1234 T CB -0.250 68.618 68.868 0.001 0.000 0.875 1234 T HN 0.719 nan 8.240 nan 0.000 0.541 1235 Q N 0.310 120.080 119.800 -0.051 0.000 2.115 1235 Q HA 0.462 4.696 4.340 -0.177 0.000 0.249 1235 Q C -0.370 175.577 176.000 -0.088 0.000 0.830 1235 Q CA -0.427 55.341 55.803 -0.059 0.000 1.104 1235 Q CB 0.117 28.827 28.738 -0.046 0.000 1.207 1235 Q HN 0.416 nan 8.270 nan 0.000 0.464 1236 L N 2.009 123.166 121.223 -0.109 0.000 2.317 1236 L HA 0.426 4.660 4.340 -0.177 0.000 0.281 1236 L C 0.327 177.149 176.870 -0.081 0.000 1.024 1236 L CA -1.078 53.682 54.840 -0.133 0.000 0.810 1236 L CB 1.763 43.694 42.059 -0.213 0.000 1.240 1236 L HN 0.142 nan 8.230 nan 0.000 0.427 1237 T N -0.227 114.290 114.554 -0.062 0.000 2.778 1237 T HA -0.048 4.196 4.350 -0.177 0.000 0.282 1237 T C 0.984 175.672 174.700 -0.021 0.000 0.983 1237 T CA -0.106 61.973 62.100 -0.036 0.000 1.193 1237 T CB 0.618 69.486 68.868 -0.001 0.000 0.938 1237 T HN 0.736 nan 8.240 nan 0.000 0.523 1238 M N 3.032 122.618 119.600 -0.023 0.000 2.150 1238 M HA -0.034 4.340 4.480 -0.177 0.000 0.260 1238 M C 1.427 177.737 176.300 0.017 0.000 1.088 1238 M CA 1.026 56.322 55.300 -0.008 0.000 1.108 1238 M CB -0.030 32.559 32.600 -0.018 0.000 1.263 1238 M HN 0.748 nan 8.290 nan 0.000 0.431 1239 R N 1.993 122.507 120.500 0.023 0.000 2.539 1239 R HA 0.195 4.429 4.340 -0.177 0.000 0.275 1239 R C -1.049 175.310 176.300 0.098 0.000 1.077 1239 R CA -0.011 56.121 56.100 0.053 0.000 1.097 1239 R CB -0.592 29.738 30.300 0.050 0.000 1.018 1239 R HN 0.247 nan 8.270 nan 0.000 0.483 1240 T N 3.428 118.047 114.554 0.109 0.000 2.902 1240 T HA 0.180 4.424 4.350 -0.177 0.000 0.301 1240 T C -0.727 174.107 174.700 0.222 0.000 1.012 1240 T CA 0.495 62.683 62.100 0.147 0.000 1.151 1240 T CB -0.194 68.750 68.868 0.127 0.000 0.946 1240 T HN 0.449 nan 8.240 nan 0.000 0.542 1241 F N 4.186 124.164 119.950 0.047 0.000 2.561 1241 F HA 0.544 4.965 4.527 -0.177 0.000 0.313 1241 F C -0.635 175.215 175.800 0.082 0.000 1.126 1241 F CA -0.881 57.125 58.000 0.009 0.000 0.918 1241 F CB 1.546 40.546 39.000 0.000 0.000 1.199 1241 F HN 0.812 nan 8.300 nan 0.000 0.444 1242 H N 1.320 119.964 119.070 -0.710 0.000 3.155 1242 H HA 0.392 4.842 4.556 -0.177 0.000 0.328 1242 H C -1.426 173.576 175.328 -0.544 0.000 1.059 1242 H CA -0.843 54.912 56.048 -0.488 0.000 1.378 1242 H CB 0.474 30.116 29.762 -0.201 0.000 1.998 1242 H HN 0.445 nan 8.280 nan 0.000 0.480 1243 T N 2.411 116.752 114.554 -0.355 0.000 2.860 1243 T HA 0.474 4.718 4.350 -0.177 0.000 0.299 1243 T C 1.049 175.740 174.700 -0.015 0.000 1.045 1243 T CA 0.915 62.876 62.100 -0.232 0.000 1.071 1243 T CB 0.372 69.165 68.868 -0.124 0.000 0.985 1243 T HN 1.553 nan 8.240 nan 0.000 0.537 1244 G N 1.458 110.247 108.800 -0.018 0.000 2.546 1244 G HA2 0.023 3.877 3.960 -0.177 0.000 0.285 1244 G HA3 0.023 3.877 3.960 -0.177 0.000 0.285 1244 G C 0.435 175.431 174.900 0.160 0.000 1.105 1244 G CA -0.355 44.772 45.100 0.045 0.000 1.189 1244 G HN 1.080 nan 8.290 nan 0.000 0.534 1245 G N -1.124 107.742 108.800 0.110 0.000 2.855 1245 G HA2 0.457 4.311 3.960 -0.177 0.000 0.248 1245 G HA3 0.457 4.311 3.960 -0.177 0.000 0.248 1245 G C 0.706 175.739 174.900 0.223 0.000 1.243 1245 G CA 0.234 45.427 45.100 0.154 0.000 0.881 1245 G HN 1.277 nan 8.290 nan 0.000 0.598 1246 V N 0.197 120.233 119.914 0.204 0.000 2.607 1246 V HA 0.474 4.488 4.120 -0.177 0.000 0.289 1246 V C 1.069 177.201 176.094 0.063 0.000 1.053 1246 V CA 0.487 62.855 62.300 0.112 0.000 0.996 1246 V CB 1.499 33.388 31.823 0.109 0.000 0.995 1246 V HN 1.033 nan 8.190 nan 0.000 0.476 1247 A N 2.597 125.442 122.820 0.041 0.000 2.564 1247 A HA 0.655 4.869 4.320 -0.177 0.000 0.279 1247 A C 1.179 178.776 177.584 0.021 0.000 1.232 1247 A CA 0.555 52.610 52.037 0.031 0.000 0.950 1247 A CB 0.256 19.276 19.000 0.033 0.000 1.138 1247 A HN 1.465 nan 8.150 nan 0.000 0.526 1248 G N -1.847 106.965 108.800 0.019 0.000 3.246 1248 G HA2 0.352 4.206 3.960 -0.177 0.000 0.218 1248 G HA3 0.352 4.206 3.960 -0.177 0.000 0.218 1248 G C 0.312 175.218 174.900 0.011 0.000 0.978 1248 G CA 0.187 45.295 45.100 0.014 0.000 0.825 1248 G HN 1.295 nan 8.290 nan 0.000 0.546 1249 A N 0.464 123.289 122.820 0.008 0.000 2.312 1249 A HA 0.938 5.152 4.320 -0.177 0.000 0.326 1249 A C 0.502 178.088 177.584 0.003 0.000 1.172 1249 A CA 0.565 52.603 52.037 0.001 0.000 0.821 1249 A CB 1.126 20.121 19.000 -0.008 0.000 1.166 1249 A HN 1.791 nan 8.150 nan 0.000 0.493 1250 A N 1.886 124.708 122.820 0.003 0.000 2.302 1250 A HA 0.568 4.782 4.320 -0.177 0.000 0.285 1250 A C -0.105 177.478 177.584 -0.002 0.000 1.105 1250 A CA -0.535 51.507 52.037 0.008 0.000 0.816 1250 A CB 0.226 19.232 19.000 0.011 0.000 1.067 1250 A HN 0.831 nan 8.150 nan 0.000 0.489 1251 D N -0.011 120.394 120.400 0.008 0.000 2.432 1251 D HA 0.419 4.954 4.640 -0.177 0.000 0.258 1251 D C -0.302 176.004 176.300 0.010 0.000 1.146 1251 D CA 0.056 54.055 54.000 -0.002 0.000 1.015 1251 D CB 1.712 42.525 40.800 0.021 0.000 1.107 1251 D HN 0.555 nan 8.370 nan 0.000 0.529 1252 I N -0.730 119.845 120.570 0.008 0.000 2.648 1252 I HA 0.232 4.296 4.170 -0.177 0.000 0.304 1252 I C 0.126 176.260 176.117 0.029 0.000 1.009 1252 I CA -0.388 60.923 61.300 0.018 0.000 1.114 1252 I CB 1.686 39.695 38.000 0.015 0.000 1.293 1252 I HN 0.215 nan 8.210 nan 0.000 0.449 1253 T N 4.940 119.515 114.554 0.035 0.000 2.788 1253 T HA 0.033 4.277 4.350 -0.177 0.000 0.333 1253 T C -0.266 174.459 174.700 0.042 0.000 1.090 1253 T CA 0.044 62.169 62.100 0.042 0.000 1.094 1253 T CB 0.400 69.293 68.868 0.042 0.000 0.999 1253 T HN 0.693 nan 8.240 nan 0.000 0.549 1254 Q N -0.656 119.174 119.800 0.049 0.000 2.462 1254 Q HA 0.488 4.722 4.340 -0.177 0.000 0.285 1254 Q C 0.227 176.250 176.000 0.039 0.000 1.035 1254 Q CA -0.162 55.670 55.803 0.048 0.000 0.799 1254 Q CB 1.725 30.505 28.738 0.069 0.000 1.452 1254 Q HN 1.045 nan 8.270 nan 0.000 0.404 1255 G N 1.419 110.230 108.800 0.019 0.000 2.598 1255 G HA2 -0.345 3.509 3.960 -0.177 0.000 0.269 1255 G HA3 -0.345 3.509 3.960 -0.177 0.000 0.269 1255 G C 0.501 175.397 174.900 -0.007 0.000 1.289 1255 G CA 0.244 45.337 45.100 -0.012 0.000 0.926 1255 G HN 0.867 nan 8.290 nan 0.000 0.567 1256 L N 1.894 123.105 121.223 -0.021 0.000 2.010 1256 L HA -0.052 4.182 4.340 -0.177 0.000 0.219 1256 L C 0.605 177.513 176.870 0.062 0.000 1.077 1256 L CA 3.817 58.665 54.840 0.013 0.000 0.773 1256 L CB -1.389 40.679 42.059 0.015 0.000 0.892 1256 L HN 0.503 nan 8.230 nan 0.000 0.436 1257 P HA -0.263 nan 4.420 nan 0.000 0.217 1257 P C 1.512 178.858 177.300 0.077 0.000 1.158 1257 P CA 1.970 65.113 63.100 0.071 0.000 0.887 1257 P CB -0.167 31.567 31.700 0.057 0.000 0.792 1258 R N 0.168 120.706 120.500 0.064 0.000 2.080 1258 R HA -0.126 4.108 4.340 -0.177 0.000 0.236 1258 R C 1.949 178.301 176.300 0.086 0.000 1.137 1258 R CA 1.980 58.116 56.100 0.059 0.000 0.943 1258 R CB -1.620 28.706 30.300 0.043 0.000 0.846 1258 R HN -0.010 nan 8.270 nan 0.000 0.431 1259 V N 1.217 121.207 119.914 0.126 0.000 2.250 1259 V HA -0.336 3.678 4.120 -0.177 0.000 0.250 1259 V C 2.461 178.733 176.094 0.296 0.000 1.060 1259 V CA 2.399 64.846 62.300 0.244 0.000 1.030 1259 V CB -0.588 31.409 31.823 0.290 0.000 0.643 1259 V HN 0.338 nan 8.190 nan 0.000 0.445 1260 I N -0.265 120.425 120.570 0.201 0.000 2.076 1260 I HA -0.320 3.744 4.170 -0.177 0.000 0.237 1260 I C 2.674 178.880 176.117 0.149 0.000 1.059 1260 I CA 2.265 63.667 61.300 0.171 0.000 1.317 1260 I CB -0.593 37.483 38.000 0.126 0.000 1.037 1260 I HN 0.425 nan 8.210 nan 0.000 0.398 1261 E N 1.136 121.398 120.200 0.103 0.000 2.136 1261 E HA -0.279 3.965 4.350 -0.177 0.000 0.208 1261 E C 2.244 178.873 176.600 0.047 0.000 1.035 1261 E CA 1.738 58.179 56.400 0.068 0.000 0.838 1261 E CB -0.096 29.635 29.700 0.051 0.000 0.748 1261 E HN 0.402 nan 8.360 nan 0.000 0.459 1262 L N -0.584 120.661 121.223 0.036 0.000 1.925 1262 L HA -0.180 4.054 4.340 -0.177 0.000 0.215 1262 L C 2.425 179.271 176.870 -0.040 0.000 1.082 1262 L CA 1.464 56.270 54.840 -0.057 0.000 0.764 1262 L CB -0.723 41.249 42.059 -0.145 0.000 0.887 1262 L HN 0.197 nan 8.230 nan 0.000 0.432 1263 F N -0.011 119.924 119.950 -0.026 0.000 2.244 1263 F HA -0.263 4.158 4.527 -0.177 0.000 0.301 1263 F C 2.181 177.968 175.800 -0.022 0.000 1.050 1263 F CA 1.149 59.133 58.000 -0.026 0.000 1.345 1263 F CB -0.079 38.904 39.000 -0.027 0.000 1.070 1263 F HN 0.199 nan 8.300 nan 0.000 0.519 1264 E N -0.284 120.002 120.200 0.143 0.000 2.501 1264 E HA 0.320 4.564 4.350 -0.177 0.000 0.200 1264 E C 0.883 177.517 176.600 0.057 0.000 1.016 1264 E CA 0.417 56.872 56.400 0.092 0.000 0.921 1264 E CB -0.033 29.713 29.700 0.077 0.000 1.034 1264 E HN 0.138 nan 8.360 nan 0.000 0.468 1265 A N 1.747 124.569 122.820 0.004 0.000 2.596 1265 A HA -0.289 3.925 4.320 -0.177 0.000 0.300 1265 A C 0.214 177.770 177.584 -0.048 0.000 1.495 1265 A CA 0.953 52.936 52.037 -0.089 0.000 0.769 1265 A CB -1.565 17.366 19.000 -0.116 0.000 1.047 1265 A HN 0.190 nan 8.150 nan 0.000 0.436 1266 R N -0.602 119.900 120.500 0.005 0.000 2.410 1266 R HA 0.368 4.602 4.340 -0.177 0.000 0.288 1266 R C 0.619 176.935 176.300 0.027 0.000 1.051 1266 R CA -0.748 55.380 56.100 0.047 0.000 1.021 1266 R CB 0.784 31.116 30.300 0.053 0.000 1.032 1266 R HN 0.562 nan 8.270 nan 0.000 0.481 1267 R N 3.346 123.884 120.500 0.064 0.000 2.421 1267 R HA 0.072 4.306 4.340 -0.177 0.000 0.305 1267 R C -1.972 174.349 176.300 0.036 0.000 1.039 1267 R CA -1.072 55.060 56.100 0.053 0.000 1.003 1267 R CB 0.242 30.589 30.300 0.079 0.000 0.959 1267 R HN 0.349 nan 8.270 nan 0.000 0.427 1268 P HA -0.079 nan 4.420 nan 0.000 0.273 1268 P C -0.303 177.011 177.300 0.023 0.000 1.258 1268 P CA -0.005 63.110 63.100 0.026 0.000 0.802 1268 P CB 0.558 32.274 31.700 0.025 0.000 1.040 1269 K N -0.709 119.704 120.400 0.022 0.000 2.387 1269 K HA 0.210 4.424 4.320 -0.177 0.000 0.197 1269 K C 0.985 177.592 176.600 0.012 0.000 1.127 1269 K CA 0.826 57.124 56.287 0.018 0.000 0.950 1269 K CB -0.557 31.956 32.500 0.022 0.000 1.017 1269 K HN 0.287 nan 8.250 nan 0.000 0.519 1270 A N 2.607 125.435 122.820 0.013 0.000 2.734 1270 A HA 0.136 4.350 4.320 -0.177 0.000 0.279 1270 A C 0.209 177.794 177.584 0.001 0.000 1.386 1270 A CA -0.379 51.662 52.037 0.006 0.000 0.987 1270 A CB -0.599 18.406 19.000 0.008 0.000 1.041 1270 A HN 0.303 nan 8.150 nan 0.000 0.569 1271 K N 1.102 121.500 120.400 -0.002 0.000 2.504 1271 K HA 0.203 4.417 4.320 -0.177 0.000 0.278 1271 K C 0.071 176.653 176.600 -0.029 0.000 1.025 1271 K CA 0.457 56.736 56.287 -0.013 0.000 1.093 1271 K CB 0.171 32.661 32.500 -0.016 0.000 0.873 1271 K HN 0.415 nan 8.250 nan 0.000 0.483 1272 A N 4.479 127.275 122.820 -0.039 0.000 2.276 1272 A HA 0.348 4.562 4.320 -0.177 0.000 0.316 1272 A C -0.162 177.366 177.584 -0.094 0.000 1.229 1272 A CA -0.855 51.148 52.037 -0.056 0.000 0.851 1272 A CB 0.717 19.688 19.000 -0.049 0.000 1.165 1272 A HN 0.654 nan 8.150 nan 0.000 0.513 1273 V N 1.931 121.775 119.914 -0.116 0.000 3.051 1273 V HA 0.679 4.693 4.120 -0.177 0.000 0.306 1273 V C 0.227 176.191 176.094 -0.216 0.000 1.083 1273 V CA -0.156 62.027 62.300 -0.196 0.000 1.104 1273 V CB 0.207 31.887 31.823 -0.239 0.000 1.027 1273 V HN 0.963 nan 8.190 nan 0.000 0.483 1274 I N -0.314 120.071 120.570 -0.308 0.000 3.174 1274 I HA 0.700 4.764 4.170 -0.177 0.000 0.313 1274 I C -0.218 175.764 176.117 -0.225 0.000 1.155 1274 I CA -0.728 60.434 61.300 -0.229 0.000 0.977 1274 I CB 2.095 39.991 38.000 -0.173 0.000 1.248 1274 I HN 0.696 nan 8.210 nan 0.000 0.453 1275 S N 1.137 116.815 115.700 -0.037 0.000 2.489 1275 S HA 0.283 4.647 4.470 -0.177 0.000 0.277 1275 S C 0.484 175.106 174.600 0.036 0.000 1.230 1275 S CA -0.242 58.029 58.200 0.118 0.000 1.053 1275 S CB 0.712 63.922 63.200 0.017 0.000 0.955 1275 S HN 0.762 nan 8.310 nan 0.000 0.488 1276 E N 3.606 123.867 120.200 0.102 0.000 2.318 1276 E HA 0.144 4.388 4.350 -0.177 0.000 0.193 1276 E C 0.431 176.978 176.600 -0.089 0.000 0.998 1276 E CA 0.502 56.900 56.400 -0.004 0.000 0.859 1276 E CB 0.219 29.934 29.700 0.025 0.000 0.812 1276 E HN 0.554 nan 8.360 nan 0.000 0.492 1277 I N -0.127 120.364 120.570 -0.132 0.000 3.690 1277 I HA 0.292 4.356 4.170 -0.177 0.000 0.280 1277 I C -0.041 175.990 176.117 -0.144 0.000 1.145 1277 I CA -0.696 60.499 61.300 -0.175 0.000 1.144 1277 I CB 0.517 38.306 38.000 -0.352 0.000 1.378 1277 I HN -0.187 nan 8.210 nan 0.000 0.478 1278 D N -0.469 119.866 120.400 -0.109 0.000 2.538 1278 D HA 0.711 5.245 4.640 -0.177 0.000 0.262 1278 D C 0.211 176.350 176.300 -0.267 0.000 1.186 1278 D CA 0.324 54.182 54.000 -0.238 0.000 1.090 1278 D CB 0.659 41.413 40.800 -0.076 0.000 1.187 1278 D HN 0.902 nan 8.370 nan 0.000 0.614 1279 G N -1.792 106.742 108.800 -0.444 0.000 2.483 1279 G HA2 0.141 3.995 3.960 -0.177 0.000 0.521 1279 G HA3 0.141 3.995 3.960 -0.177 0.000 0.521 1279 G C -1.275 173.513 174.900 -0.187 0.000 1.278 1279 G CA -0.415 44.624 45.100 -0.101 0.000 0.965 1279 G HN 0.471 nan 8.290 nan 0.000 0.504 1280 V N -0.552 119.370 119.914 0.014 0.000 3.019 1280 V HA 0.697 4.711 4.120 -0.177 0.000 0.317 1280 V C 0.731 176.819 176.094 -0.011 0.000 1.094 1280 V CA -0.786 61.538 62.300 0.038 0.000 1.000 1280 V CB 1.841 33.740 31.823 0.126 0.000 1.060 1280 V HN 1.047 nan 8.190 nan 0.000 0.443 1281 V N 3.130 123.049 119.914 0.009 0.000 2.488 1281 V HA 0.428 4.442 4.120 -0.177 0.000 0.277 1281 V C 0.278 176.398 176.094 0.043 0.000 1.046 1281 V CA -0.256 62.053 62.300 0.016 0.000 0.986 1281 V CB 0.706 32.542 31.823 0.020 0.000 0.989 1281 V HN 0.773 nan 8.190 nan 0.000 0.475 1282 R N 5.396 125.934 120.500 0.065 0.000 2.468 1282 R HA 0.501 4.735 4.340 -0.177 0.000 0.302 1282 R C -1.161 175.196 176.300 0.095 0.000 1.041 1282 R CA -0.519 55.634 56.100 0.089 0.000 0.899 1282 R CB 1.261 31.642 30.300 0.134 0.000 1.167 1282 R HN 0.724 nan 8.270 nan 0.000 0.483 1283 I N 3.261 123.870 120.570 0.064 0.000 2.472 1283 I HA 0.286 4.350 4.170 -0.177 0.000 0.290 1283 I C 0.210 176.350 176.117 0.038 0.000 1.016 1283 I CA -0.358 60.974 61.300 0.054 0.000 1.348 1283 I CB 1.266 39.290 38.000 0.040 0.000 1.417 1283 I HN 0.293 nan 8.210 nan 0.000 0.521 1284 E N 4.522 124.741 120.200 0.031 0.000 2.314 1284 E HA 0.422 4.666 4.350 -0.177 0.000 0.272 1284 E C -1.054 175.550 176.600 0.008 0.000 0.884 1284 E CA -0.701 55.704 56.400 0.009 0.000 0.753 1284 E CB 2.456 32.147 29.700 -0.015 0.000 1.213 1284 E HN 0.615 nan 8.360 nan 0.000 0.432 1285 E N 0.030 120.231 120.200 0.001 0.000 2.450 1285 E HA 0.845 5.089 4.350 -0.177 0.000 0.248 1285 E C -0.709 175.889 176.600 -0.003 0.000 0.930 1285 E CA -0.795 55.606 56.400 0.002 0.000 0.854 1285 E CB 1.039 30.742 29.700 0.004 0.000 1.355 1285 E HN 0.213 nan 8.360 nan 0.000 0.402 1286 T N -0.266 114.287 114.554 -0.001 0.000 3.033 1286 T HA 0.169 4.413 4.350 -0.177 0.000 0.362 1286 T C -0.562 174.138 174.700 -0.000 0.000 1.723 1286 T CA -0.748 61.350 62.100 -0.003 0.000 1.110 1286 T CB 1.234 70.100 68.868 -0.004 0.000 1.515 1286 T HN 0.451 nan 8.240 nan 0.000 0.484 1287 E N 0.918 121.117 120.200 -0.001 0.000 2.511 1287 E HA 0.033 4.277 4.350 -0.177 0.000 0.196 1287 E C 0.732 177.332 176.600 0.001 0.000 1.066 1287 E CA 0.865 57.265 56.400 0.000 0.000 0.871 1287 E CB 0.418 30.117 29.700 -0.000 0.000 0.863 1287 E HN 0.609 nan 8.360 nan 0.000 0.520 1288 E N -0.351 119.849 120.200 0.000 0.000 2.476 1288 E HA 0.118 4.362 4.350 -0.177 0.000 0.193 1288 E C 0.337 176.939 176.600 0.002 0.000 0.966 1288 E CA 0.282 56.682 56.400 0.001 0.000 1.114 1288 E CB 0.314 30.014 29.700 -0.000 0.000 1.151 1288 E HN -0.165 nan 8.360 nan 0.000 0.487 1289 K N 0.844 121.245 120.400 0.002 0.000 2.118 1289 K HA 0.513 4.727 4.320 -0.177 0.000 0.254 1289 K C -0.933 175.671 176.600 0.007 0.000 0.961 1289 K CA -0.910 55.380 56.287 0.004 0.000 0.876 1289 K CB 1.893 34.394 32.500 0.002 0.000 1.077 1289 K HN -0.016 nan 8.250 nan 0.000 0.440 1290 L N 0.800 122.030 121.223 0.013 0.000 2.409 1290 L HA 0.435 4.669 4.340 -0.177 0.000 0.272 1290 L C -0.838 176.050 176.870 0.031 0.000 0.980 1290 L CA 0.022 54.874 54.840 0.019 0.000 0.826 1290 L CB 1.612 43.683 42.059 0.019 0.000 1.268 1290 L HN 0.781 nan 8.230 nan 0.000 0.407 1291 S N 3.334 119.056 115.700 0.037 0.000 2.651 1291 S HA 0.963 5.327 4.470 -0.177 0.000 0.279 1291 S C -1.242 173.407 174.600 0.083 0.000 1.148 1291 S CA -0.720 57.517 58.200 0.062 0.000 0.837 1291 S CB 1.884 65.111 63.200 0.046 0.000 1.138 1291 S HN 0.500 nan 8.310 nan 0.000 0.478 1292 V N 1.255 121.249 119.914 0.133 0.000 2.876 1292 V HA 0.741 4.755 4.120 -0.177 0.000 0.312 1292 V C -1.627 174.588 176.094 0.202 0.000 1.085 1292 V CA -0.605 61.787 62.300 0.154 0.000 0.945 1292 V CB 1.712 33.636 31.823 0.167 0.000 1.017 1292 V HN 0.893 nan 8.190 nan 0.000 0.428 1293 F N 2.921 122.837 119.950 -0.056 0.000 2.547 1293 F HA 0.796 5.217 4.527 -0.177 0.000 0.316 1293 F C -0.415 175.311 175.800 -0.122 0.000 1.121 1293 F CA -0.742 57.183 58.000 -0.125 0.000 0.911 1293 F CB 1.990 40.943 39.000 -0.079 0.000 1.179 1293 F HN 0.288 nan 8.300 nan 0.000 0.443 1294 V N 4.139 123.713 119.914 -0.567 0.000 2.713 1294 V HA 0.576 4.590 4.120 -0.177 0.000 0.307 1294 V C -0.968 174.785 176.094 -0.569 0.000 1.052 1294 V CA -0.761 61.277 62.300 -0.436 0.000 0.967 1294 V CB 1.875 33.457 31.823 -0.401 0.000 1.019 1294 V HN 0.717 nan 8.190 nan 0.000 0.459 1295 E N 1.252 121.287 120.200 -0.274 0.000 2.294 1295 E HA 0.407 4.651 4.350 -0.177 0.000 0.272 1295 E C -1.253 175.344 176.600 -0.004 0.000 0.896 1295 E CA -0.261 56.035 56.400 -0.173 0.000 0.802 1295 E CB 2.062 31.707 29.700 -0.091 0.000 1.267 1295 E HN 0.635 nan 8.360 nan 0.000 0.406 1296 S N 1.969 117.721 115.700 0.087 0.000 2.475 1296 S HA 0.096 4.460 4.470 -0.177 0.000 0.298 1296 S C 1.078 175.704 174.600 0.043 0.000 1.119 1296 S CA -0.469 57.816 58.200 0.141 0.000 1.085 1296 S CB 0.952 64.350 63.200 0.331 0.000 1.028 1296 S HN 0.682 nan 8.310 nan 0.000 0.489 1297 E N 3.643 123.841 120.200 -0.003 0.000 2.284 1297 E HA -0.140 4.105 4.350 -0.177 0.000 0.200 1297 E C 1.526 178.063 176.600 -0.105 0.000 1.008 1297 E CA 1.651 58.030 56.400 -0.036 0.000 0.829 1297 E CB -0.617 29.058 29.700 -0.040 0.000 0.744 1297 E HN 0.725 nan 8.360 nan 0.000 0.491 1298 G N 0.241 108.888 108.800 -0.254 0.000 2.408 1298 G HA2 0.143 3.997 3.960 -0.177 0.000 0.215 1298 G HA3 0.143 3.997 3.960 -0.177 0.000 0.215 1298 G C 0.364 175.032 174.900 -0.387 0.000 1.156 1298 G CA 0.902 45.709 45.100 -0.489 0.000 0.793 1298 G HN 0.354 nan 8.290 nan 0.000 0.535 1299 F N -1.884 118.039 119.950 -0.044 0.000 2.831 1299 F HA 0.821 5.242 4.527 -0.177 0.000 0.318 1299 F C -0.627 175.089 175.800 -0.139 0.000 1.174 1299 F CA -2.742 55.219 58.000 -0.065 0.000 0.918 1299 F CB 0.860 39.823 39.000 -0.062 0.000 1.364 1299 F HN -0.170 nan 8.300 nan 0.000 0.475 1300 S N -0.090 115.639 115.700 0.049 0.000 2.618 1300 S HA 0.760 5.124 4.470 -0.177 0.000 0.277 1300 S C -1.758 172.515 174.600 -0.546 0.000 1.138 1300 S CA -0.812 57.152 58.200 -0.393 0.000 0.844 1300 S CB 2.609 65.538 63.200 -0.452 0.000 1.127 1300 S HN 0.765 nan 8.310 nan 0.000 0.474 1301 K N 1.772 121.575 120.400 -0.994 0.000 2.553 1301 K HA 0.321 4.535 4.320 -0.177 0.000 0.250 1301 K C -1.374 174.830 176.600 -0.659 0.000 0.953 1301 K CA -0.355 55.534 56.287 -0.665 0.000 0.800 1301 K CB 1.465 33.580 32.500 -0.641 0.000 1.243 1301 K HN 0.620 nan 8.250 nan 0.000 0.435 1302 E N 4.031 124.230 120.200 -0.002 0.000 2.277 1302 E HA 0.224 4.468 4.350 -0.177 0.000 0.274 1302 E C -1.069 175.520 176.600 -0.018 0.000 1.022 1302 E CA -0.407 56.135 56.400 0.235 0.000 0.853 1302 E CB 0.768 30.645 29.700 0.294 0.000 1.086 1302 E HN 0.715 nan 8.360 nan 0.000 0.397 1303 Y N 2.843 123.219 120.300 0.126 0.000 2.445 1303 Y HA 0.193 4.637 4.550 -0.177 0.000 0.332 1303 Y C 0.335 176.261 175.900 0.044 0.000 1.037 1303 Y CA -1.019 57.113 58.100 0.053 0.000 1.296 1303 Y CB 1.502 39.976 38.460 0.022 0.000 1.099 1303 Y HN 0.380 nan 8.280 nan 0.000 0.496 1304 K N 5.161 125.671 120.400 0.183 0.000 2.219 1304 K HA 0.691 4.905 4.320 -0.177 0.000 0.258 1304 K C -0.970 175.673 176.600 0.072 0.000 1.008 1304 K CA -0.177 56.169 56.287 0.099 0.000 0.928 1304 K CB 0.840 33.382 32.500 0.068 0.000 0.983 1304 K HN 0.756 nan 8.250 nan 0.000 0.484 1305 L N -0.739 120.512 121.223 0.047 0.000 2.731 1305 L HA 0.439 4.674 4.340 -0.177 0.000 0.256 1305 L C -2.993 173.889 176.870 0.019 0.000 0.947 1305 L CA -2.112 52.745 54.840 0.028 0.000 0.914 1305 L CB 1.505 43.580 42.059 0.025 0.000 1.470 1305 L HN 0.450 nan 8.230 nan 0.000 0.421 1306 P HA 0.194 nan 4.420 nan 0.000 0.266 1306 P C -0.379 176.926 177.300 0.008 0.000 1.195 1306 P CA -0.101 63.004 63.100 0.008 0.000 0.768 1306 P CB 0.679 32.382 31.700 0.005 0.000 0.838 1307 K N 1.381 121.786 120.400 0.008 0.000 2.442 1307 K HA -0.135 4.079 4.320 -0.177 0.000 0.198 1307 K C 1.346 177.949 176.600 0.005 0.000 1.042 1307 K CA 1.166 57.458 56.287 0.008 0.000 0.958 1307 K CB -0.146 32.358 32.500 0.007 0.000 0.766 1307 K HN 0.519 nan 8.250 nan 0.000 0.474 1308 E N 1.115 121.317 120.200 0.004 0.000 2.047 1308 E HA -0.047 4.197 4.350 -0.177 0.000 0.191 1308 E C 0.562 177.162 176.600 0.000 0.000 0.987 1308 E CA 0.529 56.931 56.400 0.002 0.000 0.799 1308 E CB -0.164 29.538 29.700 0.002 0.000 0.752 1308 E HN 0.310 nan 8.360 nan 0.000 0.449 1309 A N 1.759 124.578 122.820 -0.000 0.000 2.624 1309 A HA -0.121 4.093 4.320 -0.177 0.000 0.231 1309 A C 0.193 177.776 177.584 -0.002 0.000 1.034 1309 A CA 0.539 52.574 52.037 -0.003 0.000 0.754 1309 A CB -0.022 18.976 19.000 -0.004 0.000 0.953 1309 A HN 0.154 nan 8.150 nan 0.000 0.509 1310 R N 1.876 122.372 120.500 -0.006 0.000 2.229 1310 R HA 0.415 4.649 4.340 -0.177 0.000 0.332 1310 R C -0.138 176.160 176.300 -0.004 0.000 0.989 1310 R CA -0.759 55.338 56.100 -0.005 0.000 0.842 1310 R CB 0.507 30.802 30.300 -0.009 0.000 1.119 1310 R HN 0.744 nan 8.270 nan 0.000 0.456 1311 L N 4.186 125.410 121.223 0.001 0.000 2.473 1311 L HA 0.088 4.322 4.340 -0.177 0.000 0.265 1311 L C -0.096 176.775 176.870 0.001 0.000 1.243 1311 L CA 0.627 55.469 54.840 0.004 0.000 0.822 1311 L CB 0.682 42.747 42.059 0.010 0.000 1.101 1311 L HN 0.731 nan 8.230 nan 0.000 0.507 1312 L N 3.187 124.411 121.223 0.002 0.000 3.606 1312 L HA 0.497 4.731 4.340 -0.177 0.000 0.336 1312 L C -0.976 175.895 176.870 0.003 0.000 1.300 1312 L CA 0.200 55.039 54.840 -0.000 0.000 1.050 1312 L CB 0.572 42.627 42.059 -0.007 0.000 1.439 1312 L HN 0.404 nan 8.230 nan 0.000 0.621 1313 V N -0.265 119.654 119.914 0.008 0.000 3.147 1313 V HA 0.526 4.540 4.120 -0.177 0.000 0.299 1313 V C -1.210 174.894 176.094 0.016 0.000 1.302 1313 V CA -0.561 61.745 62.300 0.010 0.000 1.015 1313 V CB 2.387 34.214 31.823 0.007 0.000 1.086 1313 V HN 0.236 nan 8.190 nan 0.000 0.437 1314 K N 2.929 123.340 120.400 0.018 0.000 2.210 1314 K HA 0.538 4.752 4.320 -0.177 0.000 0.236 1314 K C -0.460 176.156 176.600 0.026 0.000 1.016 1314 K CA -0.943 55.357 56.287 0.021 0.000 0.913 1314 K CB 0.846 33.358 32.500 0.020 0.000 1.141 1314 K HN 0.726 nan 8.250 nan 0.000 0.462 1315 D N 0.154 120.571 120.400 0.028 0.000 2.232 1315 D HA -0.048 4.486 4.640 -0.177 0.000 0.242 1315 D C 0.936 177.258 176.300 0.036 0.000 1.330 1315 D CA 1.014 55.034 54.000 0.033 0.000 0.954 1315 D CB 0.082 40.901 40.800 0.032 0.000 1.202 1315 D HN 0.805 nan 8.370 nan 0.000 0.530 1316 G N 0.732 109.556 108.800 0.041 0.000 2.485 1316 G HA2 -0.241 3.613 3.960 -0.177 0.000 0.315 1316 G HA3 -0.241 3.613 3.960 -0.177 0.000 0.315 1316 G C -0.247 174.688 174.900 0.058 0.000 0.914 1316 G CA 0.741 45.870 45.100 0.048 0.000 0.889 1316 G HN 0.395 nan 8.290 nan 0.000 0.512 1317 D N -1.146 119.289 120.400 0.057 0.000 2.278 1317 D HA 0.372 4.906 4.640 -0.177 0.000 0.245 1317 D C -0.157 176.197 176.300 0.090 0.000 1.052 1317 D CA -0.550 53.492 54.000 0.069 0.000 0.834 1317 D CB 1.260 42.085 40.800 0.041 0.000 1.194 1317 D HN 0.139 nan 8.370 nan 0.000 0.481 1318 Y N 2.237 122.537 120.300 -0.000 0.000 2.304 1318 Y HA 0.331 4.775 4.550 -0.177 0.000 0.327 1318 Y C -0.193 175.706 175.900 -0.002 0.000 1.209 1318 Y CA -0.221 57.878 58.100 -0.002 0.000 1.299 1318 Y CB 0.741 39.199 38.460 -0.003 0.000 1.249 1318 Y HN 0.159 nan 8.280 nan 0.000 0.519 1319 V N 2.032 121.517 119.914 -0.716 0.000 2.971 1319 V HA 0.606 4.620 4.120 -0.177 0.000 0.309 1319 V C -1.113 174.632 176.094 -0.582 0.000 1.130 1319 V CA -1.152 60.881 62.300 -0.445 0.000 0.964 1319 V CB 1.959 33.636 31.823 -0.244 0.000 1.029 1319 V HN 0.808 nan 8.190 nan 0.000 0.427 1320 E N 2.003 122.044 120.200 -0.265 0.000 2.214 1320 E HA 0.723 4.967 4.350 -0.177 0.000 0.274 1320 E C 0.125 176.651 176.600 -0.124 0.000 0.977 1320 E CA -0.705 55.598 56.400 -0.163 0.000 0.827 1320 E CB 2.069 31.748 29.700 -0.035 0.000 1.130 1320 E HN 1.196 nan 8.360 nan 0.000 0.394 1321 A N 1.168 123.931 122.820 -0.095 0.000 2.555 1321 A HA 0.364 4.578 4.320 -0.177 0.000 0.233 1321 A C 1.198 178.738 177.584 -0.073 0.000 1.060 1321 A CA 0.863 52.853 52.037 -0.078 0.000 0.759 1321 A CB -0.510 18.451 19.000 -0.065 0.000 0.995 1321 A HN 0.884 nan 8.150 nan 0.000 0.506 1322 G N 0.119 108.871 108.800 -0.079 0.000 2.143 1322 G HA2 -0.237 3.617 3.960 -0.177 0.000 0.249 1322 G HA3 -0.237 3.617 3.960 -0.177 0.000 0.249 1322 G C 0.208 175.038 174.900 -0.115 0.000 0.981 1322 G CA 0.653 45.694 45.100 -0.100 0.000 0.665 1322 G HN 1.154 nan 8.290 nan 0.000 0.528 1323 Q N 1.006 120.747 119.800 -0.098 0.000 2.241 1323 Q HA 0.548 4.782 4.340 -0.177 0.000 0.254 1323 Q C -2.081 173.863 176.000 -0.094 0.000 0.917 1323 Q CA -2.286 53.461 55.803 -0.094 0.000 0.919 1323 Q CB 2.161 30.851 28.738 -0.081 0.000 1.237 1323 Q HN 0.262 nan 8.270 nan 0.000 0.434 1324 P HA -0.010 nan 4.420 nan 0.000 0.271 1324 P C -0.400 176.865 177.300 -0.058 0.000 1.233 1324 P CA 0.305 63.353 63.100 -0.087 0.000 0.789 1324 P CB 0.950 32.602 31.700 -0.079 0.000 0.951 1325 L N -0.791 120.401 121.223 -0.053 0.000 2.953 1325 L HA 0.206 4.440 4.340 -0.177 0.000 0.258 1325 L C 1.071 177.929 176.870 -0.019 0.000 1.100 1325 L CA 0.138 54.963 54.840 -0.024 0.000 0.971 1325 L CB 0.123 42.177 42.059 -0.008 0.000 1.474 1325 L HN 0.426 nan 8.230 nan 0.000 0.540 1326 T N -1.641 112.894 114.554 -0.032 0.000 2.906 1326 T HA 0.547 4.791 4.350 -0.177 0.000 0.295 1326 T C -0.126 174.559 174.700 -0.024 0.000 1.075 1326 T CA -0.874 61.212 62.100 -0.024 0.000 1.005 1326 T CB 2.287 71.139 68.868 -0.027 0.000 1.136 1326 T HN 0.003 nan 8.240 nan 0.000 0.498 1327 R N 0.568 121.059 120.500 -0.016 0.000 2.827 1327 R HA 0.588 4.822 4.340 -0.177 0.000 0.269 1327 R C 0.867 177.159 176.300 -0.013 0.000 1.048 1327 R CA 0.055 56.148 56.100 -0.012 0.000 1.173 1327 R CB -0.360 29.934 30.300 -0.011 0.000 1.070 1327 R HN 1.311 nan 8.270 nan 0.000 0.498 1328 G N -0.953 107.844 108.800 -0.005 0.000 2.408 1328 G HA2 0.200 4.054 3.960 -0.177 0.000 0.682 1328 G HA3 0.200 4.054 3.960 -0.177 0.000 0.682 1328 G C -1.415 173.494 174.900 0.016 0.000 1.303 1328 G CA -0.516 44.584 45.100 0.001 0.000 0.966 1328 G HN 0.754 nan 8.290 nan 0.000 0.560 1329 A N -0.595 122.242 122.820 0.027 0.000 2.316 1329 A HA 0.777 4.991 4.320 -0.177 0.000 0.284 1329 A C 0.568 178.177 177.584 0.041 0.000 1.115 1329 A CA -0.344 51.731 52.037 0.064 0.000 0.812 1329 A CB 0.291 19.331 19.000 0.066 0.000 1.064 1329 A HN 1.084 nan 8.150 nan 0.000 0.489 1330 I N 1.665 122.281 120.570 0.076 0.000 2.428 1330 I HA 0.114 4.178 4.170 -0.177 0.000 0.289 1330 I C 0.355 176.475 176.117 0.005 0.000 1.019 1330 I CA -0.401 60.867 61.300 -0.052 0.000 1.351 1330 I CB 1.019 38.800 38.000 -0.366 0.000 1.412 1330 I HN 0.677 nan 8.210 nan 0.000 0.513 1331 D N 7.901 128.273 120.400 -0.047 0.000 2.351 1331 D HA 0.122 4.656 4.640 -0.177 0.000 0.251 1331 D C -1.968 174.297 176.300 -0.059 0.000 1.137 1331 D CA -1.546 52.435 54.000 -0.032 0.000 0.879 1331 D CB 2.000 42.788 40.800 -0.019 0.000 1.181 1331 D HN 0.173 nan 8.370 nan 0.000 0.448 1332 P HA -0.189 nan 4.420 nan 0.000 0.205 1332 P C 1.356 178.578 177.300 -0.130 0.000 1.193 1332 P CA 1.256 64.262 63.100 -0.158 0.000 0.929 1332 P CB -0.005 31.463 31.700 -0.387 0.000 0.772 1333 H N 0.114 119.195 119.070 0.019 0.000 2.275 1333 H HA -0.239 4.212 4.556 -0.176 0.000 0.287 1333 H C 2.050 177.371 175.328 -0.010 0.000 1.097 1333 H CA 2.028 58.081 56.048 0.009 0.000 1.169 1333 H CB -1.356 28.411 29.762 0.008 0.000 1.349 1333 H HN 0.299 nan 8.280 nan 0.000 0.501 1334 Q N 0.058 119.920 119.800 0.105 0.000 2.028 1334 Q HA -0.224 4.010 4.340 -0.177 0.000 0.213 1334 Q C 2.552 178.540 176.000 -0.020 0.000 1.017 1334 Q CA 1.928 57.742 55.803 0.019 0.000 0.875 1334 Q CB -0.526 28.198 28.738 -0.023 0.000 0.962 1334 Q HN 0.256 nan 8.270 nan 0.000 0.413 1335 L N 1.092 122.281 121.223 -0.057 0.000 2.034 1335 L HA -0.249 3.986 4.340 -0.177 0.000 0.217 1335 L C 2.148 178.992 176.870 -0.043 0.000 1.077 1335 L CA 1.944 56.732 54.840 -0.088 0.000 0.769 1335 L CB -1.127 40.848 42.059 -0.140 0.000 0.890 1335 L HN 0.370 nan 8.230 nan 0.000 0.435 1336 L N 0.007 121.227 121.223 -0.006 0.000 1.963 1336 L HA -0.284 3.950 4.340 -0.177 0.000 0.220 1336 L C 2.353 179.223 176.870 0.001 0.000 1.076 1336 L CA 2.326 57.175 54.840 0.015 0.000 0.772 1336 L CB -1.209 40.884 42.059 0.056 0.000 0.892 1336 L HN 0.418 nan 8.230 nan 0.000 0.435 1337 E N 0.383 120.585 120.200 0.004 0.000 2.063 1337 E HA -0.315 3.929 4.350 -0.177 0.000 0.221 1337 E C 2.040 178.624 176.600 -0.027 0.000 1.052 1337 E CA 2.151 58.544 56.400 -0.012 0.000 0.891 1337 E CB -1.206 28.487 29.700 -0.012 0.000 0.792 1337 E HN 0.697 nan 8.360 nan 0.000 0.482 1338 A N 0.893 123.692 122.820 -0.036 0.000 1.844 1338 A HA -0.225 3.989 4.320 -0.177 0.000 0.214 1338 A C 1.517 179.079 177.584 -0.038 0.000 1.217 1338 A CA 1.906 53.917 52.037 -0.044 0.000 0.644 1338 A CB -0.605 18.361 19.000 -0.057 0.000 0.850 1338 A HN 0.164 nan 8.150 nan 0.000 0.456 1339 K N 0.366 120.741 120.400 -0.041 0.000 2.968 1339 K HA 0.306 4.520 4.320 -0.177 0.000 0.249 1339 K C 0.972 177.559 176.600 -0.022 0.000 1.062 1339 K CA 0.261 56.528 56.287 -0.032 0.000 1.215 1339 K CB -0.907 31.570 32.500 -0.039 0.000 1.097 1339 K HN 0.754 nan 8.250 nan 0.000 0.462 1340 G N 1.890 110.679 108.800 -0.019 0.000 2.586 1340 G HA2 -0.304 3.550 3.960 -0.177 0.000 0.308 1340 G HA3 -0.304 3.550 3.960 -0.177 0.000 0.308 1340 G C -1.885 173.017 174.900 0.004 0.000 1.317 1340 G CA -0.416 44.679 45.100 -0.008 0.000 0.922 1340 G HN 0.152 nan 8.290 nan 0.000 0.551 1341 P HA -0.055 nan 4.420 nan 0.000 0.199 1341 P C 1.892 179.199 177.300 0.012 0.000 1.118 1341 P CA 2.027 65.142 63.100 0.025 0.000 0.913 1341 P CB -0.180 31.542 31.700 0.037 0.000 0.738 1342 E N 0.228 120.430 120.200 0.003 0.000 2.348 1342 E HA -0.368 3.876 4.350 -0.177 0.000 0.234 1342 E C 1.839 178.441 176.600 0.003 0.000 1.110 1342 E CA 2.502 58.898 56.400 -0.006 0.000 0.987 1342 E CB -1.918 27.769 29.700 -0.022 0.000 0.834 1342 E HN 0.276 nan 8.360 nan 0.000 0.468 1343 A N 1.873 124.694 122.820 0.001 0.000 1.841 1343 A HA -0.124 4.090 4.320 -0.177 0.000 0.216 1343 A C 2.648 180.250 177.584 0.030 0.000 1.199 1343 A CA 2.421 54.460 52.037 0.002 0.000 0.621 1343 A CB -1.189 17.799 19.000 -0.021 0.000 0.835 1343 A HN 0.214 nan 8.150 nan 0.000 0.445 1344 V N 0.483 120.413 119.914 0.028 0.000 2.231 1344 V HA -0.352 3.663 4.120 -0.177 0.000 0.248 1344 V C 2.369 178.517 176.094 0.090 0.000 1.054 1344 V CA 2.993 65.335 62.300 0.070 0.000 1.015 1344 V CB -0.848 31.000 31.823 0.042 0.000 0.638 1344 V HN 0.765 nan 8.190 nan 0.000 0.444 1345 E N -0.323 119.898 120.200 0.035 0.000 2.026 1345 E HA -0.364 3.881 4.350 -0.177 0.000 0.206 1345 E C 2.309 178.913 176.600 0.007 0.000 1.028 1345 E CA 1.971 58.373 56.400 0.003 0.000 0.845 1345 E CB -0.462 29.236 29.700 -0.004 0.000 0.772 1345 E HN 0.597 nan 8.360 nan 0.000 0.462 1346 R N 0.214 120.728 120.500 0.025 0.000 2.162 1346 R HA -0.311 3.923 4.340 -0.177 0.000 0.245 1346 R C 2.362 178.699 176.300 0.061 0.000 1.129 1346 R CA 2.198 58.316 56.100 0.031 0.000 0.940 1346 R CB -0.758 29.567 30.300 0.042 0.000 0.875 1346 R HN 0.254 nan 8.270 nan 0.000 0.437 1347 Y N 1.005 121.275 120.300 -0.051 0.000 1.974 1347 Y HA -0.331 4.113 4.550 -0.176 0.000 0.255 1347 Y C 2.054 177.908 175.900 -0.077 0.000 1.125 1347 Y CA 2.281 60.347 58.100 -0.057 0.000 1.085 1347 Y CB -1.035 37.389 38.460 -0.059 0.000 0.957 1347 Y HN 0.158 nan 8.280 nan 0.000 0.484 1348 L N -0.766 120.316 121.223 -0.234 0.000 2.077 1348 L HA -0.431 3.803 4.340 -0.177 0.000 0.231 1348 L C 2.345 179.009 176.870 -0.344 0.000 1.100 1348 L CA 2.326 56.931 54.840 -0.392 0.000 0.819 1348 L CB -1.531 40.375 42.059 -0.255 0.000 0.913 1348 L HN 0.264 nan 8.230 nan 0.000 0.446 1349 V N -0.738 119.048 119.914 -0.214 0.000 2.218 1349 V HA -0.352 3.662 4.120 -0.177 0.000 0.251 1349 V C 2.564 178.563 176.094 -0.158 0.000 1.057 1349 V CA 2.276 64.476 62.300 -0.166 0.000 1.022 1349 V CB -0.661 31.106 31.823 -0.093 0.000 0.645 1349 V HN 0.467 nan 8.190 nan 0.000 0.451 1350 E N -0.295 119.831 120.200 -0.124 0.000 2.023 1350 E HA -0.268 3.976 4.350 -0.177 0.000 0.196 1350 E C 2.292 178.805 176.600 -0.145 0.000 1.003 1350 E CA 1.677 58.019 56.400 -0.096 0.000 0.809 1350 E CB -0.416 29.261 29.700 -0.038 0.000 0.755 1350 E HN 0.593 nan 8.360 nan 0.000 0.449 1351 E N 0.801 120.833 120.200 -0.280 0.000 2.164 1351 E HA -0.210 4.034 4.350 -0.177 0.000 0.206 1351 E C 2.070 178.536 176.600 -0.224 0.000 1.032 1351 E CA 1.271 57.442 56.400 -0.382 0.000 0.832 1351 E CB -0.441 28.670 29.700 -0.982 0.000 0.742 1351 E HN 0.317 nan 8.360 nan 0.000 0.460 1352 I N -0.160 120.284 120.570 -0.209 0.000 2.133 1352 I HA -0.286 3.778 4.170 -0.177 0.000 0.238 1352 I C 2.501 178.651 176.117 0.054 0.000 1.074 1352 I CA 1.116 62.372 61.300 -0.073 0.000 1.342 1352 I CB -0.446 37.478 38.000 -0.126 0.000 1.053 1352 I HN 0.156 nan 8.210 nan 0.000 0.404 1353 Q N 1.257 121.059 119.800 0.002 0.000 2.142 1353 Q HA -0.308 3.926 4.340 -0.177 0.000 0.213 1353 Q C 2.059 178.112 176.000 0.088 0.000 1.004 1353 Q CA 1.838 57.669 55.803 0.047 0.000 0.883 1353 Q CB -0.588 28.138 28.738 -0.021 0.000 0.939 1353 Q HN 0.506 nan 8.270 nan 0.000 0.413 1354 K N -0.175 120.243 120.400 0.030 0.000 2.318 1354 K HA -0.192 4.022 4.320 -0.177 0.000 0.204 1354 K C 2.021 178.651 176.600 0.050 0.000 1.044 1354 K CA 1.471 57.774 56.287 0.027 0.000 0.932 1354 K CB -0.134 32.366 32.500 0.001 0.000 0.734 1354 K HN 0.084 nan 8.250 nan 0.000 0.473 1355 V N -0.390 119.580 119.914 0.093 0.000 2.326 1355 V HA -0.172 3.843 4.120 -0.177 0.000 0.238 1355 V C 1.753 177.875 176.094 0.047 0.000 1.038 1355 V CA 1.204 63.542 62.300 0.063 0.000 1.032 1355 V CB -0.642 31.218 31.823 0.061 0.000 0.675 1355 V HN 0.106 nan 8.190 nan 0.000 0.467 1356 Y N 1.976 122.283 120.300 0.012 0.000 2.053 1356 Y HA -0.295 4.149 4.550 -0.177 0.000 0.277 1356 Y C 2.849 178.749 175.900 0.000 0.000 1.159 1356 Y CA 2.469 60.576 58.100 0.010 0.000 1.125 1356 Y CB -0.809 37.662 38.460 0.017 0.000 0.969 1356 Y HN 0.267 nan 8.280 nan 0.000 0.492 1357 R N 0.404 121.003 120.500 0.166 0.000 2.096 1357 R HA -0.178 4.056 4.340 -0.177 0.000 0.240 1357 R C 2.312 178.638 176.300 0.042 0.000 1.139 1357 R CA 1.565 57.710 56.100 0.075 0.000 0.952 1357 R CB -1.333 28.994 30.300 0.044 0.000 0.854 1357 R HN 0.261 nan 8.270 nan 0.000 0.436 1358 A N 0.766 123.609 122.820 0.038 0.000 2.131 1358 A HA -0.177 4.037 4.320 -0.177 0.000 0.220 1358 A C 1.920 179.507 177.584 0.005 0.000 1.158 1358 A CA 1.484 53.532 52.037 0.018 0.000 0.665 1358 A CB -0.225 18.785 19.000 0.017 0.000 0.795 1358 A HN 0.433 nan 8.150 nan 0.000 0.460 1359 Q N -1.166 118.631 119.800 -0.005 0.000 2.198 1359 Q HA 0.363 4.597 4.340 -0.177 0.000 0.209 1359 Q C 0.779 176.775 176.000 -0.008 0.000 0.848 1359 Q CA 0.673 56.461 55.803 -0.025 0.000 0.974 1359 Q CB -0.245 28.445 28.738 -0.081 0.000 1.115 1359 Q HN 0.854 nan 8.270 nan 0.000 0.494 1360 G N 0.009 108.815 108.800 0.010 0.000 2.246 1360 G HA2 -0.217 3.637 3.960 -0.177 0.000 0.273 1360 G HA3 -0.217 3.637 3.960 -0.177 0.000 0.273 1360 G C -0.408 174.505 174.900 0.023 0.000 1.055 1360 G CA 0.421 45.528 45.100 0.012 0.000 0.851 1360 G HN 0.250 nan 8.290 nan 0.000 0.500 1361 V N 1.025 120.972 119.914 0.055 0.000 2.347 1361 V HA 0.431 4.446 4.120 -0.177 0.000 0.280 1361 V C 0.096 176.246 176.094 0.092 0.000 1.021 1361 V CA -1.252 61.102 62.300 0.091 0.000 0.847 1361 V CB 1.668 33.599 31.823 0.181 0.000 0.990 1361 V HN 0.244 nan 8.190 nan 0.000 0.444 1362 K N 6.075 126.504 120.400 0.048 0.000 2.284 1362 K HA 0.544 4.758 4.320 -0.177 0.000 0.287 1362 K C -0.810 175.811 176.600 0.036 0.000 1.081 1362 K CA -0.058 56.243 56.287 0.023 0.000 0.910 1362 K CB 1.550 34.046 32.500 -0.006 0.000 1.088 1362 K HN 0.632 nan 8.250 nan 0.000 0.478 1363 L N 2.844 124.085 121.223 0.031 0.000 2.439 1363 L HA 0.261 4.495 4.340 -0.177 0.000 0.270 1363 L C -0.462 176.445 176.870 0.061 0.000 0.972 1363 L CA -0.809 54.062 54.840 0.051 0.000 0.836 1363 L CB 1.563 43.607 42.059 -0.025 0.000 1.255 1363 L HN 0.662 nan 8.230 nan 0.000 0.404 1364 H N 3.500 122.616 119.070 0.076 0.000 2.815 1364 H HA 0.009 4.459 4.556 -0.177 0.000 0.350 1364 H C 0.080 175.384 175.328 -0.041 0.000 1.080 1364 H CA 0.462 56.509 56.048 -0.002 0.000 1.433 1364 H CB 1.347 31.073 29.762 -0.060 0.000 1.432 1364 H HN 0.718 nan 8.280 nan 0.000 0.592 1365 D N 4.867 125.257 120.400 -0.017 0.000 2.106 1365 D HA -0.193 4.341 4.640 -0.177 0.000 0.191 1365 D C 1.772 178.130 176.300 0.097 0.000 0.997 1365 D CA 1.496 55.515 54.000 0.032 0.000 0.834 1365 D CB 0.146 40.911 40.800 -0.058 0.000 0.956 1365 D HN 0.578 nan 8.370 nan 0.000 0.448 1366 K N -0.098 120.389 120.400 0.145 0.000 2.008 1366 K HA -0.307 3.907 4.320 -0.177 0.000 0.233 1366 K C 1.936 178.511 176.600 -0.042 0.000 0.945 1366 K CA 2.037 58.238 56.287 -0.144 0.000 1.024 1366 K CB -0.939 31.201 32.500 -0.600 0.000 0.687 1366 K HN 0.311 nan 8.250 nan 0.000 0.545 1367 H N 0.441 119.549 119.070 0.064 0.000 2.297 1367 H HA -0.254 4.196 4.556 -0.177 0.000 0.277 1367 H C 2.253 177.626 175.328 0.075 0.000 1.141 1367 H CA 2.365 58.460 56.048 0.079 0.000 1.159 1367 H CB -1.069 28.724 29.762 0.052 0.000 1.378 1367 H HN 0.358 nan 8.280 nan 0.000 0.482 1368 I N 0.863 121.543 120.570 0.183 0.000 2.113 1368 I HA -0.226 3.838 4.170 -0.177 0.000 0.238 1368 I C 2.525 178.692 176.117 0.084 0.000 1.070 1368 I CA 1.391 62.772 61.300 0.136 0.000 1.332 1368 I CB -0.525 37.498 38.000 0.038 0.000 1.044 1368 I HN 0.235 nan 8.210 nan 0.000 0.402 1369 E N 1.313 121.536 120.200 0.037 0.000 2.136 1369 E HA -0.274 3.970 4.350 -0.177 0.000 0.202 1369 E C 2.245 178.870 176.600 0.041 0.000 1.019 1369 E CA 1.757 58.166 56.400 0.015 0.000 0.819 1369 E CB -0.476 29.224 29.700 0.001 0.000 0.739 1369 E HN 0.546 nan 8.360 nan 0.000 0.458 1370 I N 1.009 121.625 120.570 0.077 0.000 2.069 1370 I HA -0.311 3.753 4.170 -0.177 0.000 0.237 1370 I C 2.539 178.712 176.117 0.093 0.000 1.053 1370 I CA 1.324 62.680 61.300 0.093 0.000 1.311 1370 I CB -0.537 37.545 38.000 0.137 0.000 1.030 1370 I HN -0.027 nan 8.210 nan 0.000 0.398 1371 V N 0.488 120.482 119.914 0.135 0.000 2.439 1371 V HA -0.272 3.742 4.120 -0.177 0.000 0.253 1371 V C 2.370 178.543 176.094 0.131 0.000 1.074 1371 V CA 1.773 64.176 62.300 0.171 0.000 1.076 1371 V CB -1.057 30.970 31.823 0.340 0.000 0.664 1371 V HN 0.305 nan 8.190 nan 0.000 0.461 1372 V N -0.084 119.874 119.914 0.074 0.000 2.270 1372 V HA -0.264 3.750 4.120 -0.177 0.000 0.245 1372 V C 2.585 178.695 176.094 0.026 0.000 1.043 1372 V CA 2.312 64.622 62.300 0.017 0.000 1.014 1372 V CB -0.883 30.922 31.823 -0.030 0.000 0.645 1372 V HN 0.452 nan 8.190 nan 0.000 0.447 1373 R N -0.058 120.455 120.500 0.022 0.000 2.119 1373 R HA -0.256 3.978 4.340 -0.177 0.000 0.246 1373 R C 2.406 178.713 176.300 0.011 0.000 1.146 1373 R CA 1.910 58.014 56.100 0.007 0.000 0.962 1373 R CB -0.210 30.090 30.300 0.001 0.000 0.863 1373 R HN 0.505 nan 8.270 nan 0.000 0.442 1374 Q N -0.126 119.696 119.800 0.037 0.000 2.226 1374 Q HA -0.155 4.080 4.340 -0.177 0.000 0.204 1374 Q C 2.017 178.080 176.000 0.103 0.000 0.975 1374 Q CA 1.541 57.377 55.803 0.056 0.000 0.866 1374 Q CB -0.184 28.605 28.738 0.085 0.000 0.915 1374 Q HN 0.542 nan 8.270 nan 0.000 0.440 1375 M N -1.048 118.611 119.600 0.098 0.000 2.319 1375 M HA 0.006 4.380 4.480 -0.177 0.000 0.265 1375 M C 1.479 177.851 176.300 0.119 0.000 1.068 1375 M CA 0.863 56.235 55.300 0.120 0.000 1.118 1375 M CB -0.147 32.503 32.600 0.083 0.000 1.395 1375 M HN 0.087 nan 8.290 nan 0.000 0.435 1376 M N 0.187 119.828 119.600 0.069 0.000 2.509 1376 M HA 0.050 4.424 4.480 -0.177 0.000 0.250 1376 M C 1.852 178.147 176.300 -0.009 0.000 1.132 1376 M CA 0.758 56.085 55.300 0.044 0.000 1.080 1376 M CB -0.962 31.647 32.600 0.016 0.000 1.408 1376 M HN 0.286 nan 8.290 nan 0.000 0.484 1377 K N 0.942 121.326 120.400 -0.026 0.000 2.059 1377 K HA -0.177 4.037 4.320 -0.177 0.000 0.212 1377 K C -0.265 176.151 176.600 -0.306 0.000 1.050 1377 K CA 1.428 57.600 56.287 -0.192 0.000 0.927 1377 K CB 0.063 32.416 32.500 -0.246 0.000 0.714 1377 K HN 0.163 nan 8.250 nan 0.000 0.447 1378 Y N -0.136 120.135 120.300 -0.049 0.000 2.403 1378 Y HA 0.368 4.812 4.550 -0.177 0.000 0.323 1378 Y C 0.144 176.010 175.900 -0.057 0.000 1.226 1378 Y CA -0.937 57.129 58.100 -0.057 0.000 1.235 1378 Y CB 1.741 40.202 38.460 0.003 0.000 1.248 1378 Y HN -0.051 nan 8.280 nan 0.000 0.489 1379 V N -1.839 118.138 119.914 0.105 0.000 3.188 1379 V HA 0.575 4.589 4.120 -0.177 0.000 0.305 1379 V C -1.071 175.145 176.094 0.205 0.000 1.232 1379 V CA -1.122 61.250 62.300 0.120 0.000 1.043 1379 V CB 1.976 33.761 31.823 -0.063 0.000 1.068 1379 V HN 0.813 nan 8.190 nan 0.000 0.439 1380 E N 0.593 120.961 120.200 0.280 0.000 2.232 1380 E HA 0.678 4.922 4.350 -0.177 0.000 0.265 1380 E C -1.470 175.339 176.600 0.349 0.000 1.001 1380 E CA -0.654 55.901 56.400 0.259 0.000 0.870 1380 E CB 2.389 32.197 29.700 0.180 0.000 1.175 1380 E HN 0.854 nan 8.360 nan 0.000 0.407 1381 V N 1.622 121.701 119.914 0.276 0.000 2.732 1381 V HA 0.414 4.428 4.120 -0.177 0.000 0.310 1381 V C 0.410 176.615 176.094 0.184 0.000 1.053 1381 V CA 0.638 63.107 62.300 0.281 0.000 0.957 1381 V CB 1.680 33.642 31.823 0.232 0.000 1.018 1381 V HN 1.002 nan 8.190 nan 0.000 0.452 1382 T N 0.032 114.685 114.554 0.166 0.000 3.168 1382 T HA 0.263 4.508 4.350 -0.177 0.000 0.261 1382 T C 0.250 174.998 174.700 0.081 0.000 0.931 1382 T CA 0.286 62.443 62.100 0.096 0.000 0.949 1382 T CB -0.031 68.872 68.868 0.058 0.000 1.229 1382 T HN 0.641 nan 8.240 nan 0.000 0.504 1383 D N 3.467 123.927 120.400 0.101 0.000 2.441 1383 D HA 0.290 4.824 4.640 -0.177 0.000 0.231 1383 D C -1.649 174.693 176.300 0.070 0.000 1.073 1383 D CA -2.121 51.922 54.000 0.072 0.000 0.850 1383 D CB 2.560 43.398 40.800 0.063 0.000 1.062 1383 D HN 0.021 nan 8.370 nan 0.000 0.524 1384 P HA -0.098 nan 4.420 nan 0.000 0.202 1384 P C 1.079 178.383 177.300 0.006 0.000 1.149 1384 P CA 2.571 65.692 63.100 0.035 0.000 0.931 1384 P CB 0.332 32.051 31.700 0.033 0.000 0.762 1385 G N 0.649 109.451 108.800 0.002 0.000 2.812 1385 G HA2 -0.245 3.609 3.960 -0.177 0.000 0.219 1385 G HA3 -0.245 3.609 3.960 -0.177 0.000 0.219 1385 G C 0.481 175.375 174.900 -0.011 0.000 1.275 1385 G CA 0.924 46.015 45.100 -0.014 0.000 0.769 1385 G HN 0.663 nan 8.290 nan 0.000 0.527 1386 D N -0.484 119.910 120.400 -0.009 0.000 2.601 1386 D HA 0.319 4.853 4.640 -0.177 0.000 0.350 1386 D C 0.359 176.665 176.300 0.010 0.000 1.386 1386 D CA 1.061 55.060 54.000 -0.001 0.000 0.929 1386 D CB -0.332 40.461 40.800 -0.011 0.000 1.456 1386 D HN 0.573 nan 8.370 nan 0.000 0.430 1387 S N -0.211 115.498 115.700 0.016 0.000 2.709 1387 S HA 0.702 5.066 4.470 -0.177 0.000 0.302 1387 S C 0.082 174.711 174.600 0.047 0.000 1.127 1387 S CA -1.006 57.214 58.200 0.033 0.000 0.905 1387 S CB 2.600 65.821 63.200 0.035 0.000 1.151 1387 S HN 0.420 nan 8.310 nan 0.000 0.510 1388 R N -0.082 120.453 120.500 0.057 0.000 2.527 1388 R HA 0.493 4.727 4.340 -0.177 0.000 0.236 1388 R C 0.432 176.778 176.300 0.075 0.000 1.257 1388 R CA -0.649 55.488 56.100 0.062 0.000 1.088 1388 R CB -0.185 30.152 30.300 0.061 0.000 1.396 1388 R HN 0.570 nan 8.270 nan 0.000 0.571 1389 L N -0.598 120.669 121.223 0.073 0.000 2.200 1389 L HA 0.040 4.274 4.340 -0.177 0.000 0.200 1389 L C 2.409 179.331 176.870 0.088 0.000 1.072 1389 L CA 0.223 55.112 54.840 0.082 0.000 0.787 1389 L CB -0.577 41.522 42.059 0.067 0.000 0.957 1389 L HN 0.564 nan 8.230 nan 0.000 0.459 1390 L N 1.083 122.351 121.223 0.074 0.000 2.129 1390 L HA -0.140 4.094 4.340 -0.177 0.000 0.212 1390 L C 0.928 177.850 176.870 0.087 0.000 1.087 1390 L CA 1.259 56.141 54.840 0.071 0.000 0.757 1390 L CB -0.792 41.303 42.059 0.059 0.000 0.896 1390 L HN 0.158 nan 8.230 nan 0.000 0.434 1391 E N 1.068 121.327 120.200 0.098 0.000 2.905 1391 E HA 0.122 4.366 4.350 -0.177 0.000 0.240 1391 E C 0.262 176.953 176.600 0.151 0.000 0.990 1391 E CA 0.565 57.037 56.400 0.119 0.000 0.954 1391 E CB -0.402 29.373 29.700 0.125 0.000 0.908 1391 E HN 0.551 nan 8.360 nan 0.000 0.532 1392 G N 3.372 112.256 108.800 0.140 0.000 2.533 1392 G HA2 0.345 4.199 3.960 -0.177 0.000 0.310 1392 G HA3 0.345 4.199 3.960 -0.177 0.000 0.310 1392 G C -0.636 174.391 174.900 0.211 0.000 1.266 1392 G CA -0.459 44.738 45.100 0.162 0.000 0.967 1392 G HN 0.215 nan 8.290 nan 0.000 0.493 1393 Q N 0.410 120.359 119.800 0.250 0.000 2.416 1393 Q HA 0.496 4.730 4.340 -0.177 0.000 0.279 1393 Q C 0.033 176.123 176.000 0.150 0.000 1.101 1393 Q CA -0.799 55.179 55.803 0.291 0.000 0.830 1393 Q CB 2.264 31.174 28.738 0.287 0.000 1.402 1393 Q HN 0.354 nan 8.270 nan 0.000 0.445 1394 V N 3.267 123.213 119.914 0.053 0.000 2.506 1394 V HA -0.127 3.887 4.120 -0.177 0.000 0.296 1394 V C 1.538 177.407 176.094 -0.375 0.000 1.004 1394 V CA 0.224 62.310 62.300 -0.357 0.000 1.150 1394 V CB -0.397 31.237 31.823 -0.315 0.000 0.911 1394 V HN 0.725 nan 8.190 nan 0.000 0.476 1395 L N 4.026 124.920 121.223 -0.549 0.000 2.026 1395 L HA -0.196 4.038 4.340 -0.177 0.000 0.231 1395 L C 1.571 177.850 176.870 -0.985 0.000 1.095 1395 L CA 1.927 56.219 54.840 -0.914 0.000 0.810 1395 L CB -0.524 41.124 42.059 -0.685 0.000 0.909 1395 L HN 0.793 nan 8.230 nan 0.000 0.444 1396 E N 0.418 120.342 120.200 -0.460 0.000 2.104 1396 E HA 0.046 4.290 4.350 -0.177 0.000 0.278 1396 E C -0.001 176.648 176.600 0.082 0.000 1.127 1396 E CA 0.113 56.396 56.400 -0.196 0.000 0.897 1396 E CB 0.209 29.825 29.700 -0.140 0.000 1.043 1396 E HN 0.385 nan 8.360 nan 0.000 0.410 1397 K N 3.529 124.205 120.400 0.461 0.000 2.464 1397 K HA 0.017 4.231 4.320 -0.177 0.000 0.181 1397 K C 1.068 177.954 176.600 0.476 0.000 1.786 1397 K CA -0.190 56.384 56.287 0.479 0.000 1.021 1397 K CB -0.250 32.603 32.500 0.588 0.000 1.603 1397 K HN 0.554 nan 8.250 nan 0.000 0.570 1398 W N 1.911 123.152 121.300 -0.097 0.000 2.595 1398 W HA -0.043 4.511 4.660 -0.176 0.000 0.257 1398 W C 0.691 177.184 176.519 -0.042 0.000 1.267 1398 W CA 0.187 57.483 57.345 -0.081 0.000 1.300 1398 W CB 0.276 29.658 29.460 -0.131 0.000 1.120 1398 W HN 0.022 nan 8.180 nan 0.000 0.618 1399 D N -0.293 120.211 120.400 0.173 0.000 2.347 1399 D HA -0.041 4.493 4.640 -0.177 0.000 0.213 1399 D C 1.864 178.188 176.300 0.041 0.000 0.985 1399 D CA 0.746 54.798 54.000 0.087 0.000 0.879 1399 D CB 0.554 41.389 40.800 0.058 0.000 0.919 1399 D HN 0.013 nan 8.370 nan 0.000 0.526 1400 V N -0.047 119.883 119.914 0.026 0.000 2.840 1400 V HA -0.020 3.994 4.120 -0.177 0.000 0.234 1400 V C 1.990 178.056 176.094 -0.047 0.000 1.159 1400 V CA 0.428 62.726 62.300 -0.003 0.000 1.194 1400 V CB -0.039 31.786 31.823 0.004 0.000 0.971 1400 V HN -0.127 nan 8.190 nan 0.000 0.494 1401 E N 1.798 121.940 120.200 -0.096 0.000 2.007 1401 E HA -0.104 4.140 4.350 -0.177 0.000 0.194 1401 E C 2.036 178.476 176.600 -0.267 0.000 0.999 1401 E CA 1.776 58.045 56.400 -0.218 0.000 0.811 1401 E CB -0.653 28.818 29.700 -0.383 0.000 0.762 1401 E HN 0.504 nan 8.360 nan 0.000 0.450 1402 A N -0.152 122.463 122.820 -0.343 0.000 2.235 1402 A HA 0.042 4.256 4.320 -0.177 0.000 0.208 1402 A C 1.679 179.238 177.584 -0.043 0.000 1.172 1402 A CA 0.362 52.248 52.037 -0.250 0.000 0.786 1402 A CB -0.136 18.694 19.000 -0.283 0.000 0.804 1402 A HN 0.196 nan 8.150 nan 0.000 0.479 1403 L N -1.094 120.113 121.223 -0.025 0.000 2.664 1403 L HA 0.285 4.519 4.340 -0.177 0.000 0.233 1403 L C 0.922 177.787 176.870 -0.007 0.000 1.113 1403 L CA 0.553 55.398 54.840 0.009 0.000 0.896 1403 L CB -0.314 41.761 42.059 0.026 0.000 1.163 1403 L HN 0.215 nan 8.230 nan 0.000 0.497 1404 N N 0.752 119.433 118.700 -0.032 0.000 2.571 1404 N HA -0.130 4.504 4.740 -0.177 0.000 0.189 1404 N C 1.156 176.653 175.510 -0.022 0.000 1.154 1404 N CA 0.749 53.781 53.050 -0.029 0.000 0.907 1404 N CB 0.178 38.638 38.487 -0.046 0.000 0.977 1404 N HN 0.638 nan 8.380 nan 0.000 0.449 1405 E N 1.589 121.780 120.200 -0.016 0.000 1.986 1405 E HA -0.233 4.011 4.350 -0.177 0.000 0.229 1405 E C 0.823 177.424 176.600 0.001 0.000 0.997 1405 E CA 1.509 57.907 56.400 -0.003 0.000 0.894 1405 E CB -0.314 29.396 29.700 0.017 0.000 0.813 1405 E HN 0.204 nan 8.360 nan 0.000 0.549 1406 R N -0.438 120.066 120.500 0.007 0.000 2.565 1406 R HA 0.407 4.641 4.340 -0.177 0.000 0.347 1406 R C 1.182 177.485 176.300 0.006 0.000 1.010 1406 R CA -0.011 56.093 56.100 0.007 0.000 1.126 1406 R CB 0.476 30.782 30.300 0.010 0.000 1.331 1406 R HN 0.261 nan 8.270 nan 0.000 0.552 1407 L N -0.920 120.306 121.223 0.006 0.000 3.112 1407 L HA 0.264 4.498 4.340 -0.177 0.000 0.166 1407 L C 1.850 178.722 176.870 0.003 0.000 1.170 1407 L CA -0.190 54.653 54.840 0.006 0.000 0.854 1407 L CB -0.390 41.675 42.059 0.010 0.000 1.424 1407 L HN -0.069 nan 8.230 nan 0.000 0.542 1408 I N 1.316 121.887 120.570 0.002 0.000 2.043 1408 I HA -0.362 3.702 4.170 -0.177 0.000 0.231 1408 I C 2.552 178.667 176.117 -0.004 0.000 1.024 1408 I CA 2.105 63.404 61.300 -0.001 0.000 1.309 1408 I CB -0.458 37.540 38.000 -0.004 0.000 1.030 1408 I HN 0.347 nan 8.210 nan 0.000 0.389 1409 A N -0.653 122.162 122.820 -0.009 0.000 2.123 1409 A HA -0.090 4.124 4.320 -0.177 0.000 0.214 1409 A C 1.268 178.848 177.584 -0.007 0.000 1.152 1409 A CA 1.005 53.036 52.037 -0.010 0.000 0.728 1409 A CB -0.387 18.603 19.000 -0.017 0.000 0.814 1409 A HN 0.666 nan 8.150 nan 0.000 0.464 1410 E N -2.907 117.290 120.200 -0.006 0.000 3.680 1410 E HA -0.271 3.974 4.350 -0.177 0.000 0.309 1410 E C 1.113 177.711 176.600 -0.004 0.000 0.793 1410 E CA 0.518 56.916 56.400 -0.003 0.000 1.083 1410 E CB -2.238 27.462 29.700 -0.001 0.000 1.548 1410 E HN 0.665 nan 8.360 nan 0.000 0.456 1411 G N 1.271 110.066 108.800 -0.007 0.000 2.527 1411 G HA2 -0.260 3.594 3.960 -0.177 0.000 0.219 1411 G HA3 -0.260 3.594 3.960 -0.177 0.000 0.219 1411 G C 0.609 175.505 174.900 -0.007 0.000 1.117 1411 G CA 0.906 46.001 45.100 -0.008 0.000 0.759 1411 G HN 0.284 nan 8.290 nan 0.000 0.556 1412 K N -0.540 119.856 120.400 -0.006 0.000 3.016 1412 K HA -0.153 4.061 4.320 -0.177 0.000 0.262 1412 K C -0.454 176.143 176.600 -0.004 0.000 1.043 1412 K CA 0.894 57.180 56.287 -0.003 0.000 0.761 1412 K CB -2.272 30.229 32.500 0.001 0.000 1.230 1412 K HN 0.333 nan 8.250 nan 0.000 0.485 1413 T N 2.105 116.653 114.554 -0.011 0.000 2.910 1413 T HA 0.306 4.550 4.350 -0.177 0.000 0.323 1413 T C -2.085 172.604 174.700 -0.017 0.000 1.091 1413 T CA -1.180 60.912 62.100 -0.013 0.000 0.960 1413 T CB 1.179 70.036 68.868 -0.018 0.000 1.024 1413 T HN 0.010 nan 8.240 nan 0.000 0.509 1414 P HA 0.199 nan 4.420 nan 0.000 0.270 1414 P C -0.769 176.535 177.300 0.008 0.000 1.227 1414 P CA -0.469 62.637 63.100 0.010 0.000 0.788 1414 P CB 0.443 32.158 31.700 0.025 0.000 0.926 1415 V N -2.311 117.626 119.914 0.039 0.000 2.443 1415 V HA 0.725 4.739 4.120 -0.177 0.000 0.272 1415 V C -0.273 175.976 176.094 0.259 0.000 1.002 1415 V CA -1.149 61.191 62.300 0.067 0.000 0.840 1415 V CB 0.630 32.383 31.823 -0.117 0.000 1.042 1415 V HN 0.607 nan 8.190 nan 0.000 0.446 1416 A N 6.559 129.498 122.820 0.197 0.000 2.354 1416 A HA 0.889 5.103 4.320 -0.177 0.000 0.269 1416 A C -0.108 177.655 177.584 0.299 0.000 1.109 1416 A CA -0.371 51.768 52.037 0.169 0.000 0.800 1416 A CB 0.682 19.710 19.000 0.046 0.000 1.045 1416 A HN 1.386 nan 8.150 nan 0.000 0.489 1417 W N 0.957 122.354 121.300 0.161 0.000 3.179 1417 W HA 0.751 5.305 4.660 -0.177 0.000 0.372 1417 W C -1.151 175.435 176.519 0.112 0.000 1.137 1417 W CA -0.907 56.543 57.345 0.175 0.000 1.100 1417 W CB 0.989 30.627 29.460 0.297 0.000 1.503 1417 W HN 0.685 nan 8.180 nan 0.000 0.601 1418 K N 1.314 121.938 120.400 0.373 0.000 2.427 1418 K HA 0.485 4.699 4.320 -0.177 0.000 0.252 1418 K C -2.790 174.047 176.600 0.395 0.000 0.931 1418 K CA -1.646 54.723 56.287 0.137 0.000 0.793 1418 K CB 2.697 35.256 32.500 0.099 0.000 1.211 1418 K HN -0.131 nan 8.250 nan 0.000 0.426 1419 P HA 0.110 nan 4.420 nan 0.000 0.271 1419 P C -1.120 176.308 177.300 0.212 0.000 1.220 1419 P CA -0.012 63.291 63.100 0.339 0.000 0.768 1419 P CB 0.514 32.323 31.700 0.182 0.000 0.848 1420 L N 3.749 125.093 121.223 0.201 0.000 2.346 1420 L HA 0.558 4.792 4.340 -0.177 0.000 0.276 1420 L C -0.459 176.498 176.870 0.146 0.000 1.006 1420 L CA -1.036 53.898 54.840 0.156 0.000 0.817 1420 L CB 1.811 43.964 42.059 0.157 0.000 1.272 1420 L HN 0.218 nan 8.230 nan 0.000 0.421 1421 L N 5.847 127.164 121.223 0.157 0.000 2.342 1421 L HA 0.634 4.868 4.340 -0.177 0.000 0.276 1421 L C -0.521 176.468 176.870 0.199 0.000 0.997 1421 L CA -0.274 54.669 54.840 0.171 0.000 0.838 1421 L CB 1.319 43.497 42.059 0.198 0.000 1.224 1421 L HN 0.645 nan 8.230 nan 0.000 0.416 1422 M N 2.773 122.465 119.600 0.153 0.000 2.591 1422 M HA 0.849 5.223 4.480 -0.177 0.000 0.306 1422 M C 0.170 176.538 176.300 0.113 0.000 1.190 1422 M CA -0.700 54.681 55.300 0.135 0.000 0.889 1422 M CB 1.668 34.316 32.600 0.080 0.000 1.728 1422 M HN 0.583 nan 8.290 nan 0.000 0.458 1423 G N 1.152 110.012 108.800 0.100 0.000 2.442 1423 G HA2 0.378 4.232 3.960 -0.177 0.000 0.249 1423 G HA3 0.378 4.232 3.960 -0.177 0.000 0.249 1423 G C 1.010 175.952 174.900 0.070 0.000 1.263 1423 G CA -0.299 44.852 45.100 0.085 0.000 0.846 1423 G HN 1.140 nan 8.290 nan 0.000 0.555 1424 V N 1.530 121.496 119.914 0.086 0.000 2.277 1424 V HA -0.299 3.715 4.120 -0.177 0.000 0.255 1424 V C 2.423 178.513 176.094 -0.007 0.000 1.074 1424 V CA 2.920 65.253 62.300 0.054 0.000 1.058 1424 V CB -1.789 30.053 31.823 0.031 0.000 0.656 1424 V HN 0.690 nan 8.190 nan 0.000 0.449 1425 T N 0.251 114.784 114.554 -0.035 0.000 2.505 1425 T HA -0.331 3.913 4.350 -0.177 0.000 0.259 1425 T C 1.705 176.387 174.700 -0.029 0.000 1.158 1425 T CA 2.820 64.882 62.100 -0.064 0.000 1.190 1425 T CB -0.466 68.378 68.868 -0.041 0.000 0.864 1425 T HN 0.677 nan 8.240 nan 0.000 0.413 1426 K N 1.366 121.760 120.400 -0.010 0.000 1.974 1426 K HA -0.225 3.989 4.320 -0.177 0.000 0.231 1426 K C 2.370 178.947 176.600 -0.038 0.000 1.035 1426 K CA 2.430 58.702 56.287 -0.025 0.000 1.044 1426 K CB -1.084 31.405 32.500 -0.019 0.000 0.738 1426 K HN 0.464 nan 8.250 nan 0.000 0.447 1427 S N 0.213 115.907 115.700 -0.008 0.000 2.264 1427 S HA -0.400 3.964 4.470 -0.177 0.000 0.361 1427 S C 2.076 176.773 174.600 0.162 0.000 1.089 1427 S CA 2.723 60.975 58.200 0.087 0.000 1.906 1427 S CB -1.751 61.581 63.200 0.220 0.000 1.538 1427 S HN 0.602 nan 8.310 nan 0.000 0.491 1428 A N 2.070 125.000 122.820 0.183 0.000 1.873 1428 A HA -0.072 4.142 4.320 -0.177 0.000 0.218 1428 A C 2.367 180.090 177.584 0.231 0.000 1.193 1428 A CA 2.190 54.358 52.037 0.219 0.000 0.629 1428 A CB -1.208 17.865 19.000 0.121 0.000 0.826 1428 A HN 0.956 nan 8.150 nan 0.000 0.447 1429 L N 0.286 121.610 121.223 0.168 0.000 2.283 1429 L HA -0.168 4.066 4.340 -0.177 0.000 0.217 1429 L C 1.643 178.575 176.870 0.104 0.000 1.104 1429 L CA 2.477 57.436 54.840 0.199 0.000 0.772 1429 L CB -0.318 41.804 42.059 0.105 0.000 0.899 1429 L HN 0.275 nan 8.230 nan 0.000 0.439 1430 S N -1.366 114.338 115.700 0.007 0.000 2.582 1430 S HA 0.122 4.487 4.470 -0.177 0.000 0.234 1430 S C 0.644 175.305 174.600 0.103 0.000 0.961 1430 S CA 0.217 58.369 58.200 -0.079 0.000 0.953 1430 S CB -0.938 61.995 63.200 -0.445 0.000 0.800 1430 S HN 0.669 nan 8.310 nan 0.000 0.471 1431 T N 0.652 115.340 114.554 0.223 0.000 2.854 1431 T HA 0.046 4.290 4.350 -0.177 0.000 0.336 1431 T C 1.014 175.835 174.700 0.200 0.000 1.095 1431 T CA -0.095 62.169 62.100 0.272 0.000 1.118 1431 T CB 0.787 69.769 68.868 0.191 0.000 1.025 1431 T HN 0.200 nan 8.240 nan 0.000 0.549 1432 K N 0.621 121.116 120.400 0.159 0.000 2.057 1432 K HA -0.048 4.166 4.320 -0.177 0.000 0.206 1432 K C 1.376 178.030 176.600 0.091 0.000 1.050 1432 K CA 0.847 57.203 56.287 0.114 0.000 0.935 1432 K CB -0.242 32.284 32.500 0.045 0.000 0.715 1432 K HN 0.635 nan 8.250 nan 0.000 0.439 1433 S N 0.930 116.645 115.700 0.024 0.000 2.430 1433 S HA 0.018 4.382 4.470 -0.177 0.000 0.282 1433 S C 0.817 175.405 174.600 -0.019 0.000 1.186 1433 S CA -0.635 57.531 58.200 -0.056 0.000 1.060 1433 S CB 0.075 63.195 63.200 -0.134 0.000 0.966 1433 S HN 0.441 nan 8.310 nan 0.000 0.501 1434 W N 6.795 128.072 121.300 -0.039 0.000 2.363 1434 W HA -0.110 4.444 4.660 -0.176 0.000 0.296 1434 W C 1.069 177.515 176.519 -0.122 0.000 1.212 1434 W CA 0.959 58.266 57.345 -0.063 0.000 1.260 1434 W CB -0.746 28.688 29.460 -0.043 0.000 1.131 1434 W HN 0.608 nan 8.180 nan 0.000 0.530 1435 L N 1.243 122.069 121.223 -0.661 0.000 1.951 1435 L HA -0.341 3.893 4.340 -0.177 0.000 0.222 1435 L C 2.875 179.497 176.870 -0.414 0.000 1.078 1435 L CA 2.459 56.994 54.840 -0.507 0.000 0.778 1435 L CB -1.415 40.279 42.059 -0.608 0.000 0.893 1435 L HN 0.081 nan 8.230 nan 0.000 0.436 1436 S N 0.078 115.516 115.700 -0.437 0.000 2.377 1436 S HA -0.331 4.033 4.470 -0.177 0.000 0.224 1436 S C 2.141 176.040 174.600 -1.168 0.000 1.042 1436 S CA 1.511 59.313 58.200 -0.664 0.000 1.086 1436 S CB -0.772 62.285 63.200 -0.237 0.000 0.995 1436 S HN 0.543 nan 8.310 nan 0.000 0.428 1437 A N 1.405 123.916 122.820 -0.515 0.000 1.971 1437 A HA -0.122 4.092 4.320 -0.177 0.000 0.222 1437 A C 2.276 179.624 177.584 -0.394 0.000 1.182 1437 A CA 2.187 54.040 52.037 -0.306 0.000 0.649 1437 A CB -1.031 17.955 19.000 -0.023 0.000 0.818 1437 A HN 0.637 nan 8.150 nan 0.000 0.458 1438 A N -1.393 121.205 122.820 -0.369 0.000 2.030 1438 A HA 0.152 4.366 4.320 -0.177 0.000 0.215 1438 A C 2.254 179.525 177.584 -0.521 0.000 1.164 1438 A CA 1.425 53.302 52.037 -0.266 0.000 0.697 1438 A CB -0.669 18.316 19.000 -0.025 0.000 0.827 1438 A HN 0.719 nan 8.150 nan 0.000 0.457 1439 S N -0.802 114.416 115.700 -0.803 0.000 2.493 1439 S HA 0.032 4.397 4.470 -0.177 0.000 0.243 1439 S C 0.401 174.489 174.600 -0.854 0.000 0.991 1439 S CA 0.397 58.082 58.200 -0.858 0.000 0.957 1439 S CB -0.549 62.171 63.200 -0.799 0.000 0.756 1439 S HN 0.392 nan 8.310 nan 0.000 0.521 1440 F N 0.627 120.284 119.950 -0.488 0.000 2.572 1440 F HA 0.456 4.878 4.527 -0.176 0.000 0.342 1440 F C 0.485 176.094 175.800 -0.318 0.000 1.064 1440 F CA -1.709 56.057 58.000 -0.390 0.000 1.008 1440 F CB 0.520 39.401 39.000 -0.198 0.000 1.303 1440 F HN -0.064 nan 8.300 nan 0.000 0.492 1441 Q N 1.562 121.405 119.800 0.073 0.000 2.380 1441 Q HA -0.185 4.049 4.340 -0.177 0.000 0.338 1441 Q C 0.374 176.398 176.000 0.040 0.000 1.193 1441 Q CA 1.078 56.929 55.803 0.080 0.000 1.023 1441 Q CB -0.018 28.771 28.738 0.085 0.000 1.252 1441 Q HN 0.805 nan 8.270 nan 0.000 0.422 1442 N N 1.341 120.065 118.700 0.040 0.000 2.756 1442 N HA -0.221 4.413 4.740 -0.177 0.000 0.248 1442 N C -0.283 175.213 175.510 -0.023 0.000 1.062 1442 N CA 0.337 53.385 53.050 -0.005 0.000 0.696 1442 N CB -0.677 37.797 38.487 -0.021 0.000 0.946 1442 N HN 0.771 nan 8.380 nan 0.000 0.548 1443 T N -0.811 113.735 114.554 -0.014 0.000 2.665 1443 T HA -0.214 4.030 4.350 -0.177 0.000 0.268 1443 T C 1.796 176.423 174.700 -0.122 0.000 1.035 1443 T CA 2.109 64.186 62.100 -0.039 0.000 1.151 1443 T CB -0.425 68.498 68.868 0.092 0.000 0.862 1443 T HN 0.486 nan 8.240 nan 0.000 0.438 1444 T N 0.835 115.215 114.554 -0.290 0.000 2.505 1444 T HA -0.261 3.983 4.350 -0.177 0.000 0.259 1444 T C 1.607 176.087 174.700 -0.367 0.000 1.158 1444 T CA 2.136 63.844 62.100 -0.653 0.000 1.190 1444 T CB -0.781 67.546 68.868 -0.902 0.000 0.864 1444 T HN 0.576 nan 8.240 nan 0.000 0.413 1445 H N 1.131 120.011 119.070 -0.316 0.000 2.306 1445 H HA -0.184 4.266 4.556 -0.177 0.000 0.289 1445 H C 2.057 177.301 175.328 -0.140 0.000 1.081 1445 H CA 2.534 58.462 56.048 -0.199 0.000 1.163 1445 H CB -1.007 28.675 29.762 -0.133 0.000 1.357 1445 H HN 0.118 nan 8.280 nan 0.000 0.524 1446 V N 0.542 120.445 119.914 -0.018 0.000 2.262 1446 V HA -0.460 3.554 4.120 -0.177 0.000 0.254 1446 V C 2.817 178.843 176.094 -0.113 0.000 1.050 1446 V CA 2.563 64.838 62.300 -0.042 0.000 1.080 1446 V CB -1.346 30.478 31.823 0.002 0.000 0.711 1446 V HN 0.475 nan 8.190 nan 0.000 0.479 1447 L N -0.566 120.613 121.223 -0.073 0.000 1.978 1447 L HA -0.321 3.914 4.340 -0.177 0.000 0.235 1447 L C 2.581 179.376 176.870 -0.125 0.000 1.094 1447 L CA 2.648 57.443 54.840 -0.074 0.000 0.814 1447 L CB -1.725 40.384 42.059 0.084 0.000 0.911 1447 L HN 0.472 nan 8.230 nan 0.000 0.442 1448 T N -0.605 113.890 114.554 -0.099 0.000 2.684 1448 T HA -0.298 3.946 4.350 -0.177 0.000 0.259 1448 T C 1.639 176.246 174.700 -0.156 0.000 1.086 1448 T CA 2.130 64.147 62.100 -0.139 0.000 1.155 1448 T CB -0.486 68.200 68.868 -0.304 0.000 0.848 1448 T HN 0.408 nan 8.240 nan 0.000 0.464 1449 E N 1.526 121.570 120.200 -0.259 0.000 2.007 1449 E HA -0.064 4.180 4.350 -0.177 0.000 0.194 1449 E C 2.715 179.196 176.600 -0.198 0.000 0.999 1449 E CA 1.355 57.611 56.400 -0.240 0.000 0.811 1449 E CB -1.107 28.424 29.700 -0.281 0.000 0.762 1449 E HN 0.584 nan 8.360 nan 0.000 0.450 1450 A N 1.852 124.549 122.820 -0.205 0.000 1.997 1450 A HA -0.203 4.011 4.320 -0.177 0.000 0.221 1450 A C 2.419 179.798 177.584 -0.341 0.000 1.172 1450 A CA 2.610 54.486 52.037 -0.269 0.000 0.645 1450 A CB -0.721 18.036 19.000 -0.405 0.000 0.813 1450 A HN 0.309 nan 8.150 nan 0.000 0.454 1451 A N 0.163 122.815 122.820 -0.280 0.000 1.841 1451 A HA -0.031 4.183 4.320 -0.177 0.000 0.214 1451 A C 1.967 179.423 177.584 -0.215 0.000 1.195 1451 A CA 1.585 53.495 52.037 -0.212 0.000 0.611 1451 A CB -0.565 18.402 19.000 -0.054 0.000 0.835 1451 A HN 0.388 nan 8.150 nan 0.000 0.443 1452 I N 0.331 120.749 120.570 -0.253 0.000 2.194 1452 I HA -0.273 3.791 4.170 -0.177 0.000 0.246 1452 I C 2.705 178.553 176.117 -0.449 0.000 1.093 1452 I CA 1.667 62.648 61.300 -0.532 0.000 1.355 1452 I CB -1.671 36.008 38.000 -0.536 0.000 1.046 1452 I HN 0.362 nan 8.210 nan 0.000 0.413 1453 A N 0.060 122.717 122.820 -0.271 0.000 2.235 1453 A HA 0.282 4.496 4.320 -0.177 0.000 0.208 1453 A C 1.852 179.357 177.584 -0.133 0.000 1.172 1453 A CA 0.736 52.673 52.037 -0.166 0.000 0.786 1453 A CB -0.961 17.976 19.000 -0.104 0.000 0.804 1453 A HN 0.581 nan 8.150 nan 0.000 0.479 1454 G N 0.546 109.240 108.800 -0.177 0.000 2.395 1454 G HA2 -0.310 3.544 3.960 -0.177 0.000 0.300 1454 G HA3 -0.310 3.544 3.960 -0.177 0.000 0.300 1454 G C 0.141 174.964 174.900 -0.127 0.000 0.998 1454 G CA 0.715 45.727 45.100 -0.147 0.000 1.046 1454 G HN 0.651 nan 8.290 nan 0.000 0.513 1455 K N -0.262 120.028 120.400 -0.183 0.000 2.469 1455 K HA 0.172 4.386 4.320 -0.177 0.000 0.274 1455 K C 0.748 177.431 176.600 0.138 0.000 0.983 1455 K CA 0.554 56.827 56.287 -0.023 0.000 0.974 1455 K CB 0.499 33.029 32.500 0.049 0.000 0.913 1455 K HN 0.354 nan 8.250 nan 0.000 0.493 1456 K N 1.763 122.362 120.400 0.331 0.000 2.164 1456 K HA 0.161 4.375 4.320 -0.177 0.000 0.258 1456 K C -0.811 176.068 176.600 0.465 0.000 0.951 1456 K CA -0.734 55.822 56.287 0.448 0.000 0.844 1456 K CB 1.317 33.944 32.500 0.212 0.000 1.099 1456 K HN 0.474 nan 8.250 nan 0.000 0.435 1457 D N 2.432 122.977 120.400 0.241 0.000 2.344 1457 D HA 0.148 4.682 4.640 -0.177 0.000 0.239 1457 D C -0.692 175.517 176.300 -0.152 0.000 1.064 1457 D CA -0.298 53.560 54.000 -0.237 0.000 0.829 1457 D CB 1.320 41.457 40.800 -1.105 0.000 1.129 1457 D HN 0.393 nan 8.370 nan 0.000 0.506 1458 E N 1.643 121.784 120.200 -0.097 0.000 2.351 1458 E HA 0.379 4.623 4.350 -0.177 0.000 0.255 1458 E C -0.173 176.353 176.600 -0.124 0.000 1.188 1458 E CA -0.369 55.987 56.400 -0.074 0.000 0.940 1458 E CB 0.993 30.666 29.700 -0.046 0.000 1.094 1458 E HN 0.367 nan 8.360 nan 0.000 0.474 1459 L N 3.018 124.188 121.223 -0.088 0.000 2.709 1459 L HA 0.304 4.538 4.340 -0.177 0.000 0.236 1459 L C 0.708 177.530 176.870 -0.079 0.000 1.266 1459 L CA -0.107 54.677 54.840 -0.092 0.000 0.987 1459 L CB -0.273 41.745 42.059 -0.068 0.000 1.306 1459 L HN 0.570 nan 8.230 nan 0.000 0.467 1460 I N -2.321 118.171 120.570 -0.130 0.000 2.585 1460 I HA 0.298 4.363 4.170 -0.177 0.000 0.254 1460 I C 1.206 177.216 176.117 -0.179 0.000 1.129 1460 I CA 0.242 61.448 61.300 -0.156 0.000 1.455 1460 I CB -0.025 37.750 38.000 -0.375 0.000 1.111 1460 I HN 0.308 nan 8.210 nan 0.000 0.433 1461 G N 0.809 109.490 108.800 -0.198 0.000 2.502 1461 G HA2 0.500 4.354 3.960 -0.177 0.000 0.305 1461 G HA3 0.500 4.354 3.960 -0.177 0.000 0.305 1461 G C 0.438 175.314 174.900 -0.039 0.000 1.190 1461 G CA -0.645 44.305 45.100 -0.250 0.000 0.933 1461 G HN 0.218 nan 8.290 nan 0.000 0.503 1462 L N -0.008 121.246 121.223 0.051 0.000 2.056 1462 L HA 0.118 4.352 4.340 -0.177 0.000 0.202 1462 L C 2.781 179.768 176.870 0.194 0.000 1.086 1462 L CA 1.036 55.996 54.840 0.200 0.000 0.758 1462 L CB -0.668 41.542 42.059 0.251 0.000 0.912 1462 L HN 0.654 nan 8.230 nan 0.000 0.446 1463 K N 0.700 121.232 120.400 0.221 0.000 2.066 1463 K HA -0.323 3.891 4.320 -0.177 0.000 0.221 1463 K C 2.044 178.608 176.600 -0.061 0.000 1.056 1463 K CA 2.706 58.943 56.287 -0.083 0.000 0.950 1463 K CB -0.254 31.999 32.500 -0.412 0.000 0.726 1463 K HN 0.568 nan 8.250 nan 0.000 0.456 1464 E N 0.089 120.260 120.200 -0.049 0.000 2.005 1464 E HA -0.299 3.945 4.350 -0.177 0.000 0.198 1464 E C 1.965 178.512 176.600 -0.089 0.000 1.010 1464 E CA 1.729 58.057 56.400 -0.120 0.000 0.825 1464 E CB -0.819 28.785 29.700 -0.160 0.000 0.769 1464 E HN 0.361 nan 8.360 nan 0.000 0.456 1465 N N 0.699 119.365 118.700 -0.057 0.000 2.133 1465 N HA -0.183 4.451 4.740 -0.177 0.000 0.193 1465 N C 1.752 177.238 175.510 -0.039 0.000 1.012 1465 N CA 1.873 54.893 53.050 -0.050 0.000 0.871 1465 N CB -0.124 38.344 38.487 -0.032 0.000 1.011 1465 N HN 0.155 nan 8.380 nan 0.000 0.435 1466 V N 0.932 120.830 119.914 -0.027 0.000 2.227 1466 V HA -0.168 3.846 4.120 -0.177 0.000 0.238 1466 V C 2.220 178.298 176.094 -0.027 0.000 1.039 1466 V CA 1.718 64.004 62.300 -0.022 0.000 0.990 1466 V CB -0.780 31.036 31.823 -0.012 0.000 0.635 1466 V HN 0.429 nan 8.190 nan 0.000 0.453 1467 I N -0.118 120.433 120.570 -0.031 0.000 2.450 1467 I HA -0.322 3.742 4.170 -0.177 0.000 0.260 1467 I C 2.164 178.266 176.117 -0.025 0.000 1.145 1467 I CA 1.794 63.079 61.300 -0.025 0.000 1.413 1467 I CB -0.025 37.950 38.000 -0.042 0.000 1.090 1467 I HN 0.398 nan 8.210 nan 0.000 0.445 1468 L N 1.146 122.345 121.223 -0.040 0.000 1.993 1468 L HA 0.136 4.370 4.340 -0.177 0.000 0.206 1468 L C 1.580 178.436 176.870 -0.024 0.000 1.074 1468 L CA 2.345 57.162 54.840 -0.039 0.000 0.746 1468 L CB -0.648 41.378 42.059 -0.055 0.000 0.896 1468 L HN 0.360 nan 8.230 nan 0.000 0.435 1469 G N -0.815 107.971 108.800 -0.024 0.000 2.276 1469 G HA2 -0.107 3.747 3.960 -0.177 0.000 0.177 1469 G HA3 -0.107 3.747 3.960 -0.177 0.000 0.177 1469 G C 0.269 175.157 174.900 -0.020 0.000 1.017 1469 G CA -0.012 45.078 45.100 -0.017 0.000 0.750 1469 G HN 0.433 nan 8.290 nan 0.000 0.506 1470 R N 0.121 120.605 120.500 -0.026 0.000 2.643 1470 R HA 0.712 4.946 4.340 -0.177 0.000 0.272 1470 R C 0.067 176.348 176.300 -0.032 0.000 0.995 1470 R CA -0.869 55.215 56.100 -0.026 0.000 1.032 1470 R CB 0.904 31.188 30.300 -0.028 0.000 1.126 1470 R HN 0.164 nan 8.270 nan 0.000 0.505 1471 L N 3.902 125.103 121.223 -0.036 0.000 2.540 1471 L HA 0.032 4.266 4.340 -0.177 0.000 0.276 1471 L C 0.159 176.999 176.870 -0.051 0.000 1.212 1471 L CA 0.463 55.271 54.840 -0.053 0.000 0.893 1471 L CB 0.194 42.216 42.059 -0.061 0.000 1.138 1471 L HN 0.496 nan 8.230 nan 0.000 0.491 1472 I N 7.733 128.268 120.570 -0.059 0.000 2.948 1472 I HA -0.094 3.971 4.170 -0.177 0.000 0.303 1472 I C -1.247 174.846 176.117 -0.040 0.000 1.224 1472 I CA -0.743 60.529 61.300 -0.047 0.000 1.442 1472 I CB 0.501 38.468 38.000 -0.054 0.000 1.328 1472 I HN 0.638 nan 8.210 nan 0.000 0.578 1473 P HA -0.013 nan 4.420 nan 0.000 0.221 1473 P C -0.011 177.285 177.300 -0.006 0.000 1.150 1473 P CA 0.922 64.014 63.100 -0.013 0.000 0.800 1473 P CB 0.411 32.098 31.700 -0.021 0.000 0.787 1474 A N -1.783 121.023 122.820 -0.023 0.000 2.616 1474 A HA 0.711 4.925 4.320 -0.177 0.000 0.253 1474 A C 1.055 178.621 177.584 -0.031 0.000 1.239 1474 A CA -0.078 51.947 52.037 -0.021 0.000 0.914 1474 A CB 0.011 18.988 19.000 -0.037 0.000 1.454 1474 A HN 0.247 nan 8.150 nan 0.000 0.460 1475 G N -0.702 108.081 108.800 -0.029 0.000 2.629 1475 G HA2 -0.343 3.511 3.960 -0.177 0.000 0.313 1475 G HA3 -0.343 3.511 3.960 -0.177 0.000 0.313 1475 G C 1.255 176.139 174.900 -0.026 0.000 1.217 1475 G CA 2.287 47.367 45.100 -0.033 0.000 0.994 1475 G HN 2.116 nan 8.290 nan 0.000 0.549 1476 T N -0.936 113.573 114.554 -0.075 0.000 2.915 1476 T HA 0.238 4.482 4.350 -0.177 0.000 0.269 1476 T C 2.348 176.991 174.700 -0.095 0.000 1.071 1476 T CA 1.731 63.768 62.100 -0.106 0.000 1.132 1476 T CB -0.399 68.306 68.868 -0.271 0.000 0.878 1476 T HN 1.692 nan 8.240 nan 0.000 0.479 1477 G N 0.753 109.500 108.800 -0.089 0.000 2.848 1477 G HA2 0.138 3.992 3.960 -0.177 0.000 0.208 1477 G HA3 0.138 3.992 3.960 -0.177 0.000 0.208 1477 G C 0.481 175.375 174.900 -0.010 0.000 1.152 1477 G CA -0.197 44.863 45.100 -0.067 0.000 0.789 1477 G HN 0.532 nan 8.290 nan 0.000 0.531 1478 S N 0.582 116.300 115.700 0.029 0.000 2.416 1478 S HA 0.236 4.600 4.470 -0.177 0.000 0.287 1478 S C 1.173 175.879 174.600 0.176 0.000 1.139 1478 S CA -0.539 57.720 58.200 0.098 0.000 1.058 1478 S CB 0.443 63.708 63.200 0.109 0.000 0.967 1478 S HN 0.327 nan 8.310 nan 0.000 0.495 1479 D N 4.054 124.584 120.400 0.216 0.000 2.191 1479 D HA -0.256 4.278 4.640 -0.177 0.000 0.190 1479 D C 1.300 177.866 176.300 0.443 0.000 1.007 1479 D CA 1.699 55.946 54.000 0.410 0.000 0.865 1479 D CB -0.434 40.610 40.800 0.407 0.000 0.929 1479 D HN 0.692 nan 8.370 nan 0.000 0.447 1480 F N 0.782 120.838 119.950 0.176 0.000 2.076 1480 F HA -0.358 4.063 4.527 -0.177 0.000 0.294 1480 F C 1.882 177.772 175.800 0.150 0.000 1.078 1480 F CA 1.734 59.806 58.000 0.119 0.000 1.247 1480 F CB -0.255 38.783 39.000 0.064 0.000 0.984 1480 F HN -0.022 nan 8.300 nan 0.000 0.491 1481 V N -0.658 119.304 119.914 0.080 0.000 3.151 1481 V HA 0.004 4.018 4.120 -0.177 0.000 0.241 1481 V C 2.115 178.263 176.094 0.090 0.000 1.173 1481 V CA 0.806 63.088 62.300 -0.030 0.000 1.154 1481 V CB -0.196 31.671 31.823 0.074 0.000 0.898 1481 V HN 0.173 nan 8.190 nan 0.000 0.473 1482 R N 0.529 121.075 120.500 0.077 0.000 2.346 1482 R HA -0.318 3.916 4.340 -0.177 0.000 0.244 1482 R C 1.999 178.183 176.300 -0.193 0.000 1.074 1482 R CA 2.752 58.766 56.100 -0.143 0.000 0.910 1482 R CB -0.994 29.011 30.300 -0.492 0.000 0.970 1482 R HN 0.527 nan 8.270 nan 0.000 0.432 1483 F N 0.720 120.671 119.950 0.000 0.000 2.407 1483 F HA 0.015 4.436 4.527 -0.177 0.000 0.299 1483 F C 1.299 177.079 175.800 -0.033 0.000 1.097 1483 F CA 0.281 58.273 58.000 -0.013 0.000 1.422 1483 F CB -0.982 38.004 39.000 -0.025 0.000 1.067 1483 F HN -0.121 nan 8.300 nan 0.000 0.539 1484 T N 2.776 117.404 114.554 0.124 0.000 2.581 1484 T HA -0.158 4.087 4.350 -0.177 0.000 0.227 1484 T C 0.171 174.889 174.700 0.031 0.000 1.023 1484 T CA 0.490 62.612 62.100 0.037 0.000 1.158 1484 T CB -0.083 68.785 68.868 -0.001 0.000 1.013 1484 T HN 0.304 nan 8.240 nan 0.000 0.462 1485 Q N 1.060 120.870 119.800 0.016 0.000 2.226 1485 Q HA 0.720 4.954 4.340 -0.177 0.000 0.256 1485 Q C -0.821 175.175 176.000 -0.007 0.000 0.962 1485 Q CA -0.985 54.822 55.803 0.006 0.000 0.887 1485 Q CB 2.157 30.900 28.738 0.009 0.000 1.282 1485 Q HN 0.467 nan 8.270 nan 0.000 0.449 1486 V N 1.453 121.359 119.914 -0.013 0.000 2.752 1486 V HA 0.523 4.537 4.120 -0.177 0.000 0.302 1486 V C -0.894 175.188 176.094 -0.019 0.000 1.133 1486 V CA -0.834 61.456 62.300 -0.016 0.000 0.919 1486 V CB 1.876 33.688 31.823 -0.019 0.000 1.026 1486 V HN 0.644 nan 8.190 nan 0.000 0.429 1487 V N 0.520 120.425 119.914 -0.015 0.000 3.147 1487 V HA 0.841 4.855 4.120 -0.177 0.000 0.306 1487 V C -0.820 175.266 176.094 -0.013 0.000 1.209 1487 V CA -0.991 61.300 62.300 -0.015 0.000 1.023 1487 V CB 2.167 33.983 31.823 -0.013 0.000 1.059 1487 V HN 0.896 nan 8.190 nan 0.000 0.435 1488 D N 1.374 121.766 120.400 -0.012 0.000 2.360 1488 D HA 0.249 4.783 4.640 -0.177 0.000 0.242 1488 D C 0.850 177.145 176.300 -0.009 0.000 1.184 1488 D CA -0.216 53.778 54.000 -0.010 0.000 0.930 1488 D CB 0.688 41.482 40.800 -0.010 0.000 1.161 1488 D HN 0.666 nan 8.370 nan 0.000 0.447 1489 Q N -0.163 119.632 119.800 -0.008 0.000 2.226 1489 Q HA -0.152 4.082 4.340 -0.177 0.000 0.204 1489 Q C 1.489 177.485 176.000 -0.006 0.000 0.975 1489 Q CA 1.087 56.886 55.803 -0.007 0.000 0.866 1489 Q CB -0.174 28.560 28.738 -0.006 0.000 0.915 1489 Q HN 0.503 nan 8.270 nan 0.000 0.440 1490 K N -0.128 120.268 120.400 -0.007 0.000 2.280 1490 K HA -0.056 4.158 4.320 -0.177 0.000 0.202 1490 K C 1.590 178.186 176.600 -0.007 0.000 1.047 1490 K CA 1.295 57.578 56.287 -0.006 0.000 0.942 1490 K CB 0.059 32.555 32.500 -0.006 0.000 0.739 1490 K HN 0.056 nan 8.250 nan 0.000 0.457 1491 T N 1.197 115.747 114.554 -0.007 0.000 3.044 1491 T HA 0.168 4.412 4.350 -0.177 0.000 0.250 1491 T C 1.421 176.117 174.700 -0.007 0.000 1.081 1491 T CA 0.122 62.217 62.100 -0.008 0.000 1.040 1491 T CB 0.139 69.002 68.868 -0.009 0.000 0.962 1491 T HN 0.093 nan 8.240 nan 0.000 0.506 1492 L N 0.515 121.734 121.223 -0.007 0.000 2.551 1492 L HA 0.081 4.315 4.340 -0.177 0.000 0.228 1492 L C 2.024 178.890 176.870 -0.006 0.000 1.153 1492 L CA 0.679 55.515 54.840 -0.006 0.000 0.851 1492 L CB -0.398 41.657 42.059 -0.006 0.000 0.959 1492 L HN 0.078 nan 8.230 nan 0.000 0.451 1493 K N 0.119 120.516 120.400 -0.005 0.000 2.354 1493 K HA 0.230 4.444 4.320 -0.177 0.000 0.194 1493 K C 1.981 178.578 176.600 -0.005 0.000 1.045 1493 K CA 0.772 57.056 56.287 -0.005 0.000 1.026 1493 K CB 0.149 32.647 32.500 -0.005 0.000 0.866 1493 K HN 0.116 nan 8.250 nan 0.000 0.530 1494 A N 2.044 124.861 122.820 -0.005 0.000 1.929 1494 A HA -0.039 4.175 4.320 -0.177 0.000 0.216 1494 A C 2.127 179.708 177.584 -0.005 0.000 1.176 1494 A CA 0.795 52.829 52.037 -0.005 0.000 0.628 1494 A CB -0.508 18.488 19.000 -0.006 0.000 0.816 1494 A HN 0.307 nan 8.150 nan 0.000 0.444 1495 I N -0.306 120.260 120.570 -0.005 0.000 2.151 1495 I HA -0.311 3.753 4.170 -0.177 0.000 0.243 1495 I C 2.211 178.325 176.117 -0.004 0.000 1.080 1495 I CA 2.703 64.000 61.300 -0.005 0.000 1.339 1495 I CB -0.196 37.801 38.000 -0.005 0.000 1.039 1495 I HN 0.397 nan 8.210 nan 0.000 0.409 1496 E N 1.480 121.678 120.200 -0.004 0.000 2.169 1496 E HA -0.294 3.950 4.350 -0.177 0.000 0.202 1496 E C 1.846 178.444 176.600 -0.004 0.000 1.016 1496 E CA 1.927 58.324 56.400 -0.004 0.000 0.817 1496 E CB -0.215 29.483 29.700 -0.004 0.000 0.736 1496 E HN 0.606 nan 8.360 nan 0.000 0.462 1497 E N 0.449 120.647 120.200 -0.004 0.000 2.002 1497 E HA -0.191 4.053 4.350 -0.177 0.000 0.205 1497 E C 2.058 178.656 176.600 -0.003 0.000 1.020 1497 E CA 1.626 58.024 56.400 -0.003 0.000 0.856 1497 E CB -1.209 28.489 29.700 -0.004 0.000 0.788 1497 E HN 0.390 nan 8.360 nan 0.000 0.477 1498 A N 1.386 124.204 122.820 -0.003 0.000 2.216 1498 A HA -0.126 4.088 4.320 -0.177 0.000 0.214 1498 A C 2.036 179.618 177.584 -0.003 0.000 1.160 1498 A CA 1.052 53.087 52.037 -0.003 0.000 0.725 1498 A CB -0.390 18.608 19.000 -0.003 0.000 0.784 1498 A HN 0.022 nan 8.150 nan 0.000 0.472 1499 R N -0.015 120.483 120.500 -0.003 0.000 2.173 1499 R HA 0.102 4.336 4.340 -0.177 0.000 0.208 1499 R C 0.594 176.892 176.300 -0.003 0.000 1.035 1499 R CA 1.179 57.277 56.100 -0.003 0.000 1.004 1499 R CB -0.086 30.212 30.300 -0.004 0.000 0.917 1499 R HN 0.419 nan 8.270 nan 0.000 0.462 1500 K N 0.244 120.642 120.400 -0.003 0.000 2.536 1500 K HA 0.102 4.316 4.320 -0.177 0.000 0.203 1500 K C -0.036 176.563 176.600 -0.002 0.000 1.063 1500 K CA -0.069 56.217 56.287 -0.002 0.000 1.063 1500 K CB 0.919 33.417 32.500 -0.002 0.000 0.843 1500 K HN 0.054 nan 8.250 nan 0.000 0.521 1501 E N 0.640 120.838 120.200 -0.002 0.000 2.322 1501 E HA 0.017 4.261 4.350 -0.177 0.000 0.195 1501 E C 0.550 177.149 176.600 -0.002 0.000 1.198 1501 E CA -0.027 56.372 56.400 -0.002 0.000 1.132 1501 E CB 0.220 29.918 29.700 -0.002 0.000 1.213 1501 E HN 0.365 nan 8.360 nan 0.000 0.450 1502 A N -0.387 122.432 122.820 -0.002 0.000 2.377 1502 A HA 0.128 4.342 4.320 -0.177 0.000 0.209 1502 A C 0.602 178.185 177.584 -0.002 0.000 1.359 1502 A CA -0.235 51.801 52.037 -0.002 0.000 1.026 1502 A CB 0.851 19.850 19.000 -0.002 0.000 1.224 1502 A HN 0.114 nan 8.150 nan 0.000 0.528 1503 V N 3.000 122.913 119.914 -0.002 0.000 2.055 1503 V HA 0.136 4.150 4.120 -0.177 0.000 0.248 1503 V C -0.396 175.697 176.094 -0.002 0.000 1.476 1503 V CA -0.069 62.230 62.300 -0.002 0.000 1.417 1503 V CB -0.508 31.314 31.823 -0.002 0.000 1.465 1503 V HN 0.321 nan 8.190 nan 0.000 0.502 1504 E N 3.707 123.907 120.200 -0.001 0.000 1.972 1504 E HA 0.573 4.817 4.350 -0.177 0.000 0.292 1504 E C 0.803 177.402 176.600 -0.001 0.000 1.193 1504 E CA 0.547 56.946 56.400 -0.001 0.000 1.228 1504 E CB 0.083 29.782 29.700 -0.001 0.000 1.167 1504 E HN 0.838 nan 8.360 nan 0.000 0.479 1505 A N 0.000 122.819 122.820 -0.001 0.000 2.254 1505 A HA 0.000 4.214 4.320 -0.177 0.000 0.244 1505 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1505 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486