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 3aoi_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKKEVRKVRI ALASPEKIRS WSYGEVEKPE TINYRTLKPE RDGLFDERIF DATA SEQUENCE GPIKDXXXXX XXXXXXXXXX XXXXXXXXXX XXXXVRRYRM GHIELATPAA DATA SEQUENCE HIWFVKDVPS KIGTLLDLSA TELEQVLYFS KYIVLDPKGA ILNGVPVEKR DATA SEQUENCE QLLTDEEYRE LRYGKQETYP LPPGVDALVK DGEEVVKGQE LAPGVVSRLD DATA SEQUENCE GVALYRFPRR VRVEYXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXRVQPH DATA SEQUENCE MNVVVPEGAR VEAGDKIVAA IDPEEEVIAE AEGVVHLHEP ASILVVKARV DATA SEQUENCE YPFEDDVEVS TGDRVAPGDV LADGGKVKSD VYGRVEVDLV RNVVRVVESY DATA SEQUENCE DIDARMGAEA IQQLLKELDL EALEKELLEE MKHPSRARRA KARKRLEVVR DATA SEQUENCE AFLDSGNRPE WMILEAVPVL PPDLRPXXXX XXXXXXXSDL NDLYRRLINR DATA SEQUENCE NNRLKKLLAQ GAPEIIIRNE KRMLQEAVDA LLDNGRRGAP VTNPGSDRPL DATA SEQUENCE RSLTDILSGK QGRFRQNLLG KRVDYSGRSV IVVGPQLKLH QCGLPKRMAL DATA SEQUENCE ELFKPFLLKK MEEKGIAPNV KAARRMLERQ RDIKDEVWDA LEEVIHGKVV DATA SEQUENCE LLNRAPTLHR LGIQAFQPVL VEGQSIQLHP LVCEAFNADF DGDQMAVHVP DATA SEQUENCE LSSFAQAEAR IQMLSAHNLL SPASGEPLAK PSRDIILGLY YITQVRKEKK DATA SEQUENCE GAGLEFATPE EALAAHERGE VALNAPIKVA GRETSVGRLK YVFANPDEAL DATA SEQUENCE LAVAHGIVDL QDVVTVRYMG KRLETSPGRI LFARIVAEAV EDEKVAWELI DATA SEQUENCE QLDVPQEKNS LKDLVYQAFL RLGMEKTARL LDALKYYGFT FSTTSGITIG DATA SEQUENCE IDDAVIPEEK KQYLEEADRK LLQIEQAYEM GFLTDRERYD QILQLWTETT DATA SEQUENCE EKVTQAVFKN FEENYPFNPL YVMAQSGARG NPQQIRQLCG LRGLMQKPSG DATA SEQUENCE ETFEVPVRSS FREGLTVLEY FISSHGARKG GADTALRTAD SGYLTRKLVD DATA SEQUENCE VTHEIVVREA DCGTTNYISV PLFQPDEVTR SLRLRKRADI EAGLYGRVLA DATA SEQUENCE REVEVLGVRL EEGRYLSMDD VHLLIKAAEA GEIQEVPVRS PLTCQTRYGV DATA SEQUENCE CQKCYGYDLS MARPVSIGEA VGIVAAQSIG EPGTQLTXXX XXXXXXXXXX DATA SEQUENCE DITQGLPRVI ELFEARRPKA KAVISEIDGV VRIEETEEKL SVFVESEGFS DATA SEQUENCE KEYKLPKEAR LLVKDGDYVE AGQPLTRGAI DPHQLLEAKG PEAVERYLVE DATA SEQUENCE EIQKVYRAQG VKLHDKHIEI VVRQMMKYVE VTDPGDSRLL EGQVLEKWDV DATA SEQUENCE EALNERLIAE GKTPVAWKPL LMGVTKSALS TKSWLSAASF QNTTHVLTEA DATA SEQUENCE AIAGKKDELI GLKENVILGR LIPAGTGSDF VRFTQVVDQK TLKAIEEAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.306 55.300 0.009 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 K N 2.994 123.401 120.400 0.012 0.000 2.436 2 K HA 0.112 4.530 4.320 0.164 0.000 0.275 2 K C -1.110 175.499 176.600 0.015 0.000 0.999 2 K CA 0.556 56.850 56.287 0.012 0.000 0.980 2 K CB 0.631 33.138 32.500 0.011 0.000 0.919 2 K HN 0.066 nan 8.250 nan 0.000 0.484 3 K N 3.060 123.468 120.400 0.014 0.000 2.316 3 K HA 0.130 4.549 4.320 0.164 0.000 0.251 3 K C -0.834 175.781 176.600 0.025 0.000 0.934 3 K CA -0.681 55.617 56.287 0.019 0.000 0.802 3 K CB 1.756 34.264 32.500 0.012 0.000 1.171 3 K HN 0.714 nan 8.250 nan 0.000 0.426 4 E N 1.634 121.860 120.200 0.042 0.000 2.415 4 E HA 0.024 4.472 4.350 0.164 0.000 0.263 4 E C -0.569 176.053 176.600 0.037 0.000 0.995 4 E CA -0.285 56.147 56.400 0.053 0.000 0.915 4 E CB 0.625 30.389 29.700 0.108 0.000 0.951 4 E HN 0.166 nan 8.360 nan 0.000 0.449 5 V N 6.403 126.331 119.914 0.022 0.000 2.390 5 V HA 0.027 4.245 4.120 0.164 0.000 0.260 5 V C 1.104 177.207 176.094 0.015 0.000 1.043 5 V CA 0.167 62.474 62.300 0.013 0.000 1.047 5 V CB 0.388 32.211 31.823 -0.001 0.000 1.066 5 V HN 0.679 nan 8.190 nan 0.000 0.481 6 R N 2.741 123.253 120.500 0.020 0.000 2.225 6 R HA 0.265 4.703 4.340 0.164 0.000 0.194 6 R C 0.258 176.563 176.300 0.008 0.000 0.957 6 R CA 0.733 56.845 56.100 0.020 0.000 1.042 6 R CB 0.390 30.707 30.300 0.029 0.000 1.004 6 R HN 0.680 nan 8.270 nan 0.000 0.509 7 K N -0.459 119.950 120.400 0.014 0.000 2.464 7 K HA 0.503 4.922 4.320 0.164 0.000 0.253 7 K C -1.389 175.233 176.600 0.038 0.000 0.933 7 K CA -0.856 55.443 56.287 0.020 0.000 0.801 7 K CB 3.273 35.795 32.500 0.036 0.000 1.271 7 K HN -0.271 nan 8.250 nan 0.000 0.430 8 V N 1.897 121.841 119.914 0.050 0.000 2.680 8 V HA 0.524 4.742 4.120 0.164 0.000 0.309 8 V C -0.624 175.647 176.094 0.295 0.000 1.052 8 V CA -0.864 61.507 62.300 0.118 0.000 0.908 8 V CB 1.870 33.736 31.823 0.071 0.000 1.001 8 V HN 0.711 nan 8.190 nan 0.000 0.431 9 R N 3.668 124.351 120.500 0.304 0.000 2.575 9 R HA 0.664 5.102 4.340 0.164 0.000 0.293 9 R C -1.663 174.751 176.300 0.191 0.000 0.983 9 R CA -0.606 55.680 56.100 0.309 0.000 0.887 9 R CB 1.613 32.012 30.300 0.165 0.000 1.184 9 R HN 0.723 nan 8.270 nan 0.000 0.445 10 I N 3.956 124.506 120.570 -0.034 0.000 2.339 10 I HA 0.504 4.773 4.170 0.164 0.000 0.290 10 I C -0.267 175.783 176.117 -0.111 0.000 0.994 10 I CA -0.392 60.797 61.300 -0.184 0.000 1.191 10 I CB 1.710 39.327 38.000 -0.638 0.000 1.343 10 I HN 0.770 nan 8.210 nan 0.000 0.458 11 A N 6.874 129.706 122.820 0.020 0.000 2.532 11 A HA 0.748 5.167 4.320 0.164 0.000 0.290 11 A C -0.908 176.779 177.584 0.172 0.000 1.143 11 A CA -0.654 51.436 52.037 0.088 0.000 0.728 11 A CB 1.396 20.472 19.000 0.126 0.000 1.317 11 A HN 0.601 nan 8.150 nan 0.000 0.414 12 L N 0.546 121.920 121.223 0.251 0.000 2.453 12 L HA 0.492 4.930 4.340 0.164 0.000 0.261 12 L C 0.747 177.822 176.870 0.342 0.000 1.179 12 L CA -0.346 54.704 54.840 0.349 0.000 0.813 12 L CB 1.294 43.635 42.059 0.470 0.000 1.110 12 L HN 0.835 nan 8.230 nan 0.000 0.466 13 A N 2.147 125.132 122.820 0.274 0.000 2.260 13 A HA 0.476 4.894 4.320 0.164 0.000 0.308 13 A C -0.102 177.401 177.584 -0.135 0.000 1.254 13 A CA -0.373 51.737 52.037 0.122 0.000 0.874 13 A CB 0.568 19.615 19.000 0.078 0.000 1.153 13 A HN 0.660 nan 8.150 nan 0.000 0.527 14 S N 3.895 119.395 115.700 -0.335 0.000 2.565 14 S HA 0.238 4.806 4.470 0.164 0.000 0.276 14 S C -1.622 172.670 174.600 -0.513 0.000 1.326 14 S CA -0.638 57.121 58.200 -0.736 0.000 1.045 14 S CB 0.942 63.760 63.200 -0.638 0.000 0.918 14 S HN 0.568 nan 8.310 nan 0.000 0.505 15 P HA -0.110 nan 4.420 nan 0.000 0.218 15 P C 0.850 177.929 177.300 -0.368 0.000 1.148 15 P CA 0.992 63.877 63.100 -0.358 0.000 0.822 15 P CB 0.179 31.715 31.700 -0.274 0.000 0.784 16 E N -0.576 119.405 120.200 -0.364 0.000 2.110 16 E HA -0.164 4.284 4.350 0.164 0.000 0.193 16 E C 1.921 178.337 176.600 -0.307 0.000 0.988 16 E CA 1.078 57.300 56.400 -0.297 0.000 0.804 16 E CB -0.504 29.049 29.700 -0.244 0.000 0.745 16 E HN 0.218 nan 8.360 nan 0.000 0.458 17 K N 0.306 120.509 120.400 -0.329 0.000 2.155 17 K HA -0.052 4.366 4.320 0.164 0.000 0.203 17 K C 1.702 177.828 176.600 -0.789 0.000 1.052 17 K CA 0.586 56.686 56.287 -0.312 0.000 0.948 17 K CB 0.117 32.573 32.500 -0.072 0.000 0.728 17 K HN 0.065 nan 8.250 nan 0.000 0.448 18 I N 1.722 121.792 120.570 -0.832 0.000 2.286 18 I HA -0.254 4.014 4.170 0.164 0.000 0.248 18 I C 2.010 177.704 176.117 -0.704 0.000 1.115 18 I CA 1.309 62.014 61.300 -0.991 0.000 1.392 18 I CB -0.882 36.756 38.000 -0.603 0.000 1.065 18 I HN 0.184 nan 8.210 nan 0.000 0.418 19 R N 0.102 120.259 120.500 -0.571 0.000 2.119 19 R HA 0.018 4.456 4.340 0.164 0.000 0.222 19 R C 2.344 178.432 176.300 -0.355 0.000 1.088 19 R CA 0.900 56.669 56.100 -0.552 0.000 0.984 19 R CB -1.070 28.936 30.300 -0.490 0.000 0.884 19 R HN 0.279 nan 8.270 nan 0.000 0.447 20 S N 0.579 116.101 115.700 -0.296 0.000 2.353 20 S HA -0.125 4.443 4.470 0.164 0.000 0.222 20 S C 1.446 176.089 174.600 0.071 0.000 1.035 20 S CA 1.244 59.384 58.200 -0.099 0.000 1.025 20 S CB -0.139 63.066 63.200 0.009 0.000 0.902 20 S HN 0.463 nan 8.310 nan 0.000 0.440 21 W N 1.895 123.172 121.300 -0.039 0.000 2.595 21 W HA 0.388 5.149 4.660 0.168 0.000 0.257 21 W C 1.429 178.004 176.519 0.094 0.000 1.267 21 W CA -0.191 57.180 57.345 0.044 0.000 1.300 21 W CB -2.120 27.379 29.460 0.065 0.000 1.120 21 W HN 0.278 nan 8.180 nan 0.000 0.618 22 S N 0.434 116.206 115.700 0.120 0.000 2.564 22 S HA 0.195 4.764 4.470 0.164 0.000 0.278 22 S C -1.183 173.427 174.600 0.017 0.000 1.333 22 S CA -0.042 58.211 58.200 0.088 0.000 1.048 22 S CB 0.339 63.502 63.200 -0.062 0.000 0.900 22 S HN 0.059 nan 8.310 nan 0.000 0.505 23 Y N 2.797 123.082 120.300 -0.026 0.000 2.332 23 Y HA 0.527 5.175 4.550 0.163 0.000 0.326 23 Y C 0.832 176.658 175.900 -0.125 0.000 0.978 23 Y CA 0.260 58.322 58.100 -0.064 0.000 1.205 23 Y CB 1.335 39.746 38.460 -0.082 0.000 1.131 23 Y HN 1.206 nan 8.280 nan 0.000 0.462 24 G N 2.706 111.521 108.800 0.024 0.000 2.901 24 G HA2 -0.235 3.823 3.960 0.164 0.000 0.654 24 G HA3 -0.235 3.823 3.960 0.164 0.000 0.654 24 G C -0.640 174.231 174.900 -0.048 0.000 1.550 24 G CA -0.304 44.785 45.100 -0.018 0.000 0.978 24 G HN 0.727 nan 8.290 nan 0.000 0.566 25 E N -0.685 119.427 120.200 -0.147 0.000 2.199 25 E HA 0.508 4.956 4.350 0.164 0.000 0.265 25 E C 0.572 177.043 176.600 -0.215 0.000 0.882 25 E CA -0.786 55.386 56.400 -0.381 0.000 0.759 25 E CB 1.608 30.925 29.700 -0.639 0.000 1.148 25 E HN 1.349 nan 8.360 nan 0.000 0.412 26 V N 2.370 122.188 119.914 -0.160 0.000 2.450 26 V HA 0.141 4.359 4.120 0.164 0.000 0.281 26 V C 0.522 176.576 176.094 -0.068 0.000 1.019 26 V CA 0.241 62.514 62.300 -0.045 0.000 1.062 26 V CB 1.127 32.980 31.823 0.051 0.000 0.979 26 V HN 0.990 nan 8.190 nan 0.000 0.477 27 E N 2.976 123.146 120.200 -0.049 0.000 2.489 27 E HA 0.259 4.707 4.350 0.164 0.000 0.204 27 E C 0.427 177.013 176.600 -0.023 0.000 1.006 27 E CA -0.205 56.167 56.400 -0.047 0.000 0.936 27 E CB 0.553 30.224 29.700 -0.047 0.000 1.002 27 E HN 0.825 nan 8.360 nan 0.000 0.488 28 K N 0.132 120.525 120.400 -0.012 0.000 2.551 28 K HA 0.298 4.717 4.320 0.164 0.000 0.269 28 K C -2.740 173.856 176.600 -0.006 0.000 0.949 28 K CA -1.905 54.378 56.287 -0.006 0.000 0.849 28 K CB 2.092 34.590 32.500 -0.004 0.000 1.411 28 K HN -0.290 nan 8.250 nan 0.000 0.432 29 P HA 0.211 nan 4.420 nan 0.000 0.231 29 P C -0.995 176.303 177.300 -0.004 0.000 1.833 29 P CA -0.168 62.929 63.100 -0.004 0.000 1.023 29 P CB 0.420 32.124 31.700 0.006 0.000 1.643 30 E N 0.919 121.114 120.200 -0.009 0.000 2.042 30 E HA 0.113 4.562 4.350 0.164 0.000 0.260 30 E C 1.343 177.954 176.600 0.017 0.000 0.975 30 E CA 0.052 56.459 56.400 0.011 0.000 0.799 30 E CB 1.323 31.034 29.700 0.018 0.000 1.131 30 E HN 0.266 nan 8.360 nan 0.000 0.423 31 T N 0.565 115.139 114.554 0.033 0.000 2.508 31 T HA -0.011 4.437 4.350 0.164 0.000 0.249 31 T C 1.152 175.981 174.700 0.216 0.000 1.173 31 T CA 0.687 62.843 62.100 0.093 0.000 1.275 31 T CB -0.013 68.912 68.868 0.095 0.000 0.883 31 T HN 0.299 nan 8.240 nan 0.000 0.394 32 I N 2.157 122.821 120.570 0.157 0.000 2.433 32 I HA 0.445 4.713 4.170 0.164 0.000 0.292 32 I C -0.706 175.463 176.117 0.088 0.000 1.001 32 I CA -0.990 60.387 61.300 0.129 0.000 1.119 32 I CB 1.726 39.786 38.000 0.101 0.000 1.289 32 I HN 0.314 nan 8.210 nan 0.000 0.438 33 N N 4.782 123.507 118.700 0.041 0.000 2.417 33 N HA 0.171 5.009 4.740 0.164 0.000 0.274 33 N C 0.351 175.823 175.510 -0.063 0.000 0.987 33 N CA -0.540 52.483 53.050 -0.043 0.000 0.912 33 N CB 0.988 39.409 38.487 -0.110 0.000 1.177 33 N HN 0.517 nan 8.380 nan 0.000 0.490 34 Y N 3.288 123.593 120.300 0.008 0.000 2.181 34 Y HA 0.024 4.673 4.550 0.164 0.000 0.288 34 Y C 1.781 177.680 175.900 -0.002 0.000 1.146 34 Y CA 0.883 58.983 58.100 0.000 0.000 1.164 34 Y CB -0.328 38.133 38.460 0.001 0.000 0.982 34 Y HN 0.408 nan 8.280 nan 0.000 0.515 35 R N 0.716 120.928 120.500 -0.480 0.000 2.119 35 R HA -0.089 4.349 4.340 0.164 0.000 0.246 35 R C 0.321 176.576 176.300 -0.075 0.000 1.146 35 R CA 1.799 57.768 56.100 -0.218 0.000 0.962 35 R CB -0.732 29.365 30.300 -0.338 0.000 0.863 35 R HN 0.560 nan 8.270 nan 0.000 0.442 36 T N -3.139 111.360 114.554 -0.091 0.000 2.921 36 T HA 0.296 4.744 4.350 0.164 0.000 0.297 36 T C 0.694 175.365 174.700 -0.047 0.000 1.013 36 T CA -0.794 61.276 62.100 -0.051 0.000 0.990 36 T CB 1.851 70.689 68.868 -0.050 0.000 1.023 36 T HN -0.059 nan 8.240 nan 0.000 0.447 37 L N 0.736 121.936 121.223 -0.037 0.000 2.353 37 L HA 0.042 4.481 4.340 0.164 0.000 0.220 37 L C 1.636 178.470 176.870 -0.061 0.000 1.133 37 L CA 0.874 55.684 54.840 -0.050 0.000 0.798 37 L CB -0.271 41.754 42.059 -0.057 0.000 0.922 37 L HN 0.760 nan 8.230 nan 0.000 0.445 38 K N 1.216 121.588 120.400 -0.046 0.000 2.504 38 K HA -0.033 4.386 4.320 0.164 0.000 0.278 38 K C -2.110 174.477 176.600 -0.022 0.000 1.025 38 K CA -1.256 55.010 56.287 -0.035 0.000 1.093 38 K CB 0.312 32.795 32.500 -0.027 0.000 0.873 38 K HN -0.091 nan 8.250 nan 0.000 0.483 39 P HA -0.053 nan 4.420 nan 0.000 0.265 39 P C -0.853 176.477 177.300 0.050 0.000 1.193 39 P CA 0.080 63.213 63.100 0.054 0.000 0.765 39 P CB 0.610 32.370 31.700 0.099 0.000 0.823 40 E N 2.937 123.174 120.200 0.062 0.000 2.289 40 E HA 0.164 4.612 4.350 0.164 0.000 0.278 40 E C -0.259 176.371 176.600 0.050 0.000 1.032 40 E CA -0.681 55.739 56.400 0.034 0.000 0.854 40 E CB 0.359 30.071 29.700 0.021 0.000 1.046 40 E HN 0.198 nan 8.360 nan 0.000 0.409 41 R N 2.757 123.278 120.500 0.035 0.000 2.679 41 R HA 0.244 4.682 4.340 0.164 0.000 0.268 41 R C -0.330 175.993 176.300 0.038 0.000 1.044 41 R CA 0.102 56.227 56.100 0.042 0.000 1.105 41 R CB -0.055 30.262 30.300 0.028 0.000 0.989 41 R HN 0.642 nan 8.270 nan 0.000 0.447 42 D N -0.251 120.179 120.400 0.049 0.000 2.911 42 D HA -0.199 4.539 4.640 0.164 0.000 0.227 42 D C 0.582 176.897 176.300 0.024 0.000 1.164 42 D CA 1.684 55.704 54.000 0.034 0.000 0.782 42 D CB -0.800 40.008 40.800 0.012 0.000 1.094 42 D HN 0.821 nan 8.370 nan 0.000 0.425 43 G N -1.178 107.638 108.800 0.027 0.000 2.601 43 G HA2 0.457 4.516 3.960 0.164 0.000 0.214 43 G HA3 0.457 4.516 3.960 0.164 0.000 0.214 43 G C 1.032 175.914 174.900 -0.030 0.000 2.067 43 G CA -0.060 45.035 45.100 -0.008 0.000 0.774 43 G HN 0.206 nan 8.290 nan 0.000 0.729 44 L N -1.287 119.836 121.223 -0.168 0.000 2.435 44 L HA 0.363 4.801 4.340 0.164 0.000 0.195 44 L C 2.155 178.837 176.870 -0.314 0.000 1.072 44 L CA 0.270 54.906 54.840 -0.340 0.000 0.833 44 L CB 0.081 41.649 42.059 -0.818 0.000 1.081 44 L HN 0.114 nan 8.230 nan 0.000 0.485 45 F N 0.513 120.426 119.950 -0.063 0.000 2.773 45 F HA 0.085 4.710 4.527 0.164 0.000 0.304 45 F C 0.875 176.694 175.800 0.031 0.000 1.129 45 F CA -1.040 56.885 58.000 -0.125 0.000 1.378 45 F CB -0.902 38.028 39.000 -0.116 0.000 1.095 45 F HN 0.039 nan 8.300 nan 0.000 0.565 46 D N 0.610 121.169 120.400 0.265 0.000 2.478 46 D HA -0.076 4.662 4.640 0.164 0.000 0.234 46 D C 1.028 177.506 176.300 0.298 0.000 1.154 46 D CA 0.564 54.702 54.000 0.230 0.000 0.874 46 D CB 0.862 41.768 40.800 0.177 0.000 1.198 46 D HN 0.258 nan 8.370 nan 0.000 0.455 47 E N 1.319 121.627 120.200 0.181 0.000 2.318 47 E HA -0.004 4.445 4.350 0.164 0.000 0.193 47 E C 1.695 178.370 176.600 0.124 0.000 0.998 47 E CA 0.079 56.572 56.400 0.155 0.000 0.859 47 E CB 0.179 29.931 29.700 0.087 0.000 0.812 47 E HN 0.386 nan 8.360 nan 0.000 0.492 48 R N 1.115 121.673 120.500 0.097 0.000 2.057 48 R HA -0.049 4.389 4.340 0.164 0.000 0.229 48 R C 2.059 178.391 176.300 0.052 0.000 1.136 48 R CA 1.218 57.360 56.100 0.070 0.000 0.952 48 R CB -0.226 30.105 30.300 0.053 0.000 0.848 48 R HN 0.125 nan 8.270 nan 0.000 0.430 49 I N 0.088 120.648 120.570 -0.017 0.000 2.335 49 I HA -0.255 4.013 4.170 0.164 0.000 0.251 49 I C 1.275 177.106 176.117 -0.477 0.000 1.129 49 I CA 1.445 62.604 61.300 -0.236 0.000 1.402 49 I CB -0.080 37.687 38.000 -0.388 0.000 1.069 49 I HN 0.207 nan 8.210 nan 0.000 0.424 50 F N -0.535 119.436 119.950 0.035 0.000 2.549 50 F HA 0.473 5.098 4.527 0.163 0.000 0.275 50 F C 1.137 176.887 175.800 -0.084 0.000 0.990 50 F CA 0.525 58.510 58.000 -0.026 0.000 1.274 50 F CB 0.008 39.002 39.000 -0.010 0.000 1.064 50 F HN -0.005 nan 8.300 nan 0.000 0.715 51 G N -0.656 108.235 108.800 0.151 0.000 2.359 51 G HA2 0.171 4.230 3.960 0.164 0.000 0.314 51 G HA3 0.171 4.230 3.960 0.164 0.000 0.314 51 G C -3.198 171.730 174.900 0.047 0.000 1.364 51 G CA -1.291 43.839 45.100 0.050 0.000 0.978 51 G HN -0.296 nan 8.290 nan 0.000 0.615 52 P HA 0.143 nan 4.420 nan 0.000 0.258 52 P C 1.016 178.310 177.300 -0.010 0.000 1.187 52 P CA -0.076 63.028 63.100 0.008 0.000 0.767 52 P CB 0.597 32.298 31.700 0.002 0.000 0.770 53 I N 3.295 123.860 120.570 -0.008 0.000 2.916 53 I HA -0.092 4.176 4.170 0.164 0.000 0.267 53 I C 0.898 176.993 176.117 -0.038 0.000 1.263 53 I CA 1.491 62.773 61.300 -0.030 0.000 1.471 53 I CB -0.356 37.627 38.000 -0.029 0.000 1.089 53 I HN 0.119 nan 8.210 nan 0.000 0.468 54 K N 0.588 120.972 120.400 -0.026 0.000 2.316 54 K HA 0.296 4.714 4.320 0.164 0.000 0.234 54 K C -0.560 176.026 176.600 -0.023 0.000 1.054 54 K CA -0.758 55.514 56.287 -0.025 0.000 0.879 54 K CB 0.759 33.248 32.500 -0.018 0.000 1.252 54 K HN 0.099 nan 8.250 nan 0.000 0.471 86 R N 2.717 123.074 120.500 -0.238 0.000 2.093 86 R HA 0.148 4.586 4.340 0.164 0.000 0.224 86 R C 1.900 178.088 176.300 -0.187 0.000 1.101 86 R CA 1.705 57.708 56.100 -0.161 0.000 0.979 86 R CB -0.286 29.932 30.300 -0.137 0.000 0.877 86 R HN 0.870 nan 8.270 nan 0.000 0.441 87 R N -0.665 119.583 120.500 -0.419 0.000 2.721 87 R HA 0.146 4.585 4.340 0.164 0.000 0.296 87 R C -0.098 176.028 176.300 -0.290 0.000 1.174 87 R CA 0.229 56.121 56.100 -0.347 0.000 1.129 87 R CB 0.061 30.147 30.300 -0.357 0.000 1.316 87 R HN 0.049 nan 8.270 nan 0.000 0.571 88 Y N -0.376 119.931 120.300 0.013 0.000 2.499 88 Y HA 0.411 5.062 4.550 0.168 0.000 0.253 88 Y C 0.344 176.248 175.900 0.007 0.000 1.105 88 Y CA -1.139 56.964 58.100 0.004 0.000 1.240 88 Y CB 0.479 38.928 38.460 -0.018 0.000 1.289 88 Y HN -0.025 nan 8.280 nan 0.000 0.534 89 R N 0.332 120.897 120.500 0.108 0.000 2.596 89 R HA 0.715 5.154 4.340 0.164 0.000 0.267 89 R C -0.477 175.948 176.300 0.208 0.000 1.026 89 R CA -0.312 55.805 56.100 0.028 0.000 1.087 89 R CB 1.174 31.265 30.300 -0.348 0.000 1.132 89 R HN -0.034 nan 8.270 nan 0.000 0.531 90 M N -0.181 119.560 119.600 0.235 0.000 2.644 90 M HA 0.527 5.105 4.480 0.164 0.000 0.304 90 M C -0.080 176.269 176.300 0.082 0.000 1.215 90 M CA -0.953 54.495 55.300 0.247 0.000 0.871 90 M CB 2.524 35.331 32.600 0.346 0.000 1.740 90 M HN 0.727 nan 8.290 nan 0.000 0.464 91 G N -0.132 108.684 108.800 0.027 0.000 2.600 91 G HA2 0.778 4.836 3.960 0.164 0.000 0.303 91 G HA3 0.778 4.836 3.960 0.164 0.000 0.303 91 G C -1.647 173.328 174.900 0.126 0.000 1.253 91 G CA -0.374 44.691 45.100 -0.058 0.000 0.974 91 G HN 0.861 nan 8.290 nan 0.000 0.483 92 H N -1.201 117.848 119.070 -0.035 0.000 2.821 92 H HA 0.647 5.301 4.556 0.164 0.000 0.373 92 H C -1.534 173.787 175.328 -0.013 0.000 1.165 92 H CA -1.207 54.826 56.048 -0.025 0.000 1.154 92 H CB 1.788 31.497 29.762 -0.088 0.000 1.765 92 H HN 0.343 nan 8.280 nan 0.000 0.549 93 I N 1.667 122.184 120.570 -0.089 0.000 2.406 93 I HA 0.113 4.381 4.170 0.164 0.000 0.290 93 I C -0.114 175.966 176.117 -0.061 0.000 0.999 93 I CA -0.729 60.494 61.300 -0.129 0.000 1.124 93 I CB 1.939 39.914 38.000 -0.041 0.000 1.289 93 I HN 0.542 nan 8.210 nan 0.000 0.441 94 E N 6.764 126.918 120.200 -0.077 0.000 1.996 94 E HA 0.305 4.754 4.350 0.164 0.000 0.280 94 E C -0.844 175.747 176.600 -0.015 0.000 1.092 94 E CA -0.264 56.138 56.400 0.003 0.000 0.862 94 E CB 0.560 30.272 29.700 0.020 0.000 1.066 94 E HN 0.480 nan 8.360 nan 0.000 0.396 95 L N 3.763 124.979 121.223 -0.012 0.000 2.456 95 L HA 0.130 4.568 4.340 0.164 0.000 0.272 95 L C 1.251 178.114 176.870 -0.012 0.000 1.189 95 L CA 0.082 54.913 54.840 -0.016 0.000 0.846 95 L CB 0.789 42.838 42.059 -0.017 0.000 1.111 95 L HN 0.824 nan 8.230 nan 0.000 0.475 96 A N 3.193 126.006 122.820 -0.011 0.000 1.823 96 A HA -0.048 4.371 4.320 0.164 0.000 0.214 96 A C 0.890 178.469 177.584 -0.007 0.000 1.227 96 A CA 1.204 53.236 52.037 -0.008 0.000 0.616 96 A CB -0.436 18.561 19.000 -0.006 0.000 0.874 96 A HN 0.662 nan 8.150 nan 0.000 0.455 97 T N 1.704 116.254 114.554 -0.006 0.000 2.795 97 T HA 0.514 4.963 4.350 0.164 0.000 0.282 97 T C -2.508 172.186 174.700 -0.010 0.000 0.980 97 T CA -0.898 61.197 62.100 -0.008 0.000 1.012 97 T CB 1.245 70.110 68.868 -0.005 0.000 0.936 97 T HN 0.111 nan 8.240 nan 0.000 0.457 98 P HA 0.178 nan 4.420 nan 0.000 0.270 98 P C -1.087 176.202 177.300 -0.018 0.000 1.181 98 P CA 0.242 63.333 63.100 -0.016 0.000 0.767 98 P CB 0.388 32.074 31.700 -0.024 0.000 0.799 99 A N 0.771 123.586 122.820 -0.008 0.000 2.593 99 A HA 0.822 5.241 4.320 0.164 0.000 0.290 99 A C -1.329 176.274 177.584 0.032 0.000 1.126 99 A CA -0.116 51.923 52.037 0.003 0.000 0.695 99 A CB 1.570 20.573 19.000 0.006 0.000 1.290 99 A HN 0.534 nan 8.150 nan 0.000 0.414 100 A N -0.208 122.660 122.820 0.081 0.000 2.387 100 A HA 0.719 5.137 4.320 0.164 0.000 0.303 100 A C -0.615 177.037 177.584 0.113 0.000 1.145 100 A CA -0.537 51.597 52.037 0.161 0.000 0.801 100 A CB 0.662 19.875 19.000 0.356 0.000 1.342 100 A HN 0.894 nan 8.150 nan 0.000 0.440 101 H N 2.016 121.096 119.070 0.016 0.000 2.955 101 H HA 0.065 4.720 4.556 0.164 0.000 0.290 101 H C 1.018 176.340 175.328 -0.010 0.000 1.047 101 H CA 0.142 56.117 56.048 -0.122 0.000 1.484 101 H CB 0.900 30.395 29.762 -0.445 0.000 1.501 101 H HN 0.626 nan 8.280 nan 0.000 0.521 102 I N 5.090 125.616 120.570 -0.074 0.000 2.335 102 I HA -0.280 3.989 4.170 0.164 0.000 0.251 102 I C 1.271 177.536 176.117 0.247 0.000 1.129 102 I CA 1.111 62.447 61.300 0.060 0.000 1.402 102 I CB -0.448 37.584 38.000 0.054 0.000 1.069 102 I HN 0.652 nan 8.210 nan 0.000 0.424 103 W N 0.589 121.912 121.300 0.037 0.000 2.364 103 W HA -0.170 4.588 4.660 0.163 0.000 0.281 103 W C 2.372 179.145 176.519 0.423 0.000 1.219 103 W CA 1.207 58.672 57.345 0.200 0.000 1.220 103 W CB -0.988 28.627 29.460 0.259 0.000 1.127 103 W HN 0.113 nan 8.180 nan 0.000 0.556 104 F N -2.001 118.189 119.950 0.400 0.000 2.695 104 F HA 0.042 4.667 4.527 0.163 0.000 0.303 104 F C 1.413 177.287 175.800 0.123 0.000 1.091 104 F CA -0.167 57.973 58.000 0.234 0.000 1.300 104 F CB 0.122 39.266 39.000 0.240 0.000 1.071 104 F HN -0.337 nan 8.300 nan 0.000 0.578 105 V N -1.473 118.583 119.914 0.237 0.000 3.307 105 V HA 0.062 4.280 4.120 0.164 0.000 0.244 105 V C 1.550 177.612 176.094 -0.054 0.000 1.196 105 V CA 0.566 62.859 62.300 -0.011 0.000 1.132 105 V CB 0.144 31.777 31.823 -0.316 0.000 0.875 105 V HN 0.002 nan 8.190 nan 0.000 0.468 106 K N 0.635 121.037 120.400 0.004 0.000 2.373 106 K HA 0.249 4.667 4.320 0.164 0.000 0.202 106 K C -0.113 176.473 176.600 -0.023 0.000 1.025 106 K CA -0.029 56.248 56.287 -0.018 0.000 1.115 106 K CB 0.228 32.725 32.500 -0.005 0.000 0.858 106 K HN 0.486 nan 8.250 nan 0.000 0.525 107 D N -0.023 120.371 120.400 -0.010 0.000 2.382 107 D HA -0.009 4.730 4.640 0.164 0.000 0.245 107 D C 1.621 177.853 176.300 -0.113 0.000 1.120 107 D CA -0.114 53.839 54.000 -0.078 0.000 0.890 107 D CB 1.219 41.984 40.800 -0.057 0.000 1.201 107 D HN -0.220 nan 8.370 nan 0.000 0.433 108 V N 2.295 122.109 119.914 -0.167 0.000 2.240 108 V HA -0.212 4.006 4.120 0.164 0.000 0.257 108 V C -1.324 174.698 176.094 -0.120 0.000 1.067 108 V CA 1.385 63.596 62.300 -0.148 0.000 1.067 108 V CB -2.120 29.587 31.823 -0.193 0.000 0.683 108 V HN 0.708 nan 8.190 nan 0.000 0.461 109 P HA 0.335 nan 4.420 nan 0.000 0.283 109 P C -0.383 176.884 177.300 -0.055 0.000 1.412 109 P CA 0.114 63.161 63.100 -0.088 0.000 0.912 109 P CB 1.031 32.676 31.700 -0.091 0.000 1.132 110 S N 3.093 118.775 115.700 -0.029 0.000 2.811 110 S HA -0.063 4.506 4.470 0.164 0.000 0.325 110 S C 1.536 176.147 174.600 0.020 0.000 1.224 110 S CA 0.105 58.306 58.200 0.002 0.000 1.125 110 S CB -0.038 63.164 63.200 0.004 0.000 0.867 110 S HN 0.168 nan 8.310 nan 0.000 0.512 111 K N 4.279 124.699 120.400 0.032 0.000 2.147 111 K HA 0.015 4.433 4.320 0.164 0.000 0.205 111 K C 1.587 178.224 176.600 0.061 0.000 1.049 111 K CA 1.135 57.428 56.287 0.009 0.000 0.936 111 K CB -0.096 32.358 32.500 -0.076 0.000 0.722 111 K HN 0.733 nan 8.250 nan 0.000 0.446 112 I N -1.216 119.416 120.570 0.104 0.000 2.867 112 I HA 0.047 4.316 4.170 0.164 0.000 0.265 112 I C 1.574 177.748 176.117 0.095 0.000 1.162 112 I CA 1.168 62.542 61.300 0.124 0.000 1.471 112 I CB -0.785 37.345 38.000 0.216 0.000 1.123 112 I HN 0.140 nan 8.210 nan 0.000 0.440 113 G N 0.515 109.363 108.800 0.079 0.000 2.408 113 G HA2 -0.195 3.864 3.960 0.164 0.000 0.217 113 G HA3 -0.195 3.864 3.960 0.164 0.000 0.217 113 G C 1.469 176.389 174.900 0.034 0.000 1.150 113 G CA 1.248 46.381 45.100 0.055 0.000 0.776 113 G HN 0.389 nan 8.290 nan 0.000 0.542 114 T N 0.908 115.479 114.554 0.028 0.000 2.732 114 T HA -0.035 4.414 4.350 0.164 0.000 0.261 114 T C 2.273 176.990 174.700 0.028 0.000 1.040 114 T CA 0.962 63.074 62.100 0.020 0.000 1.145 114 T CB -0.239 68.637 68.868 0.013 0.000 0.866 114 T HN 0.166 nan 8.240 nan 0.000 0.427 115 L N 0.419 121.668 121.223 0.043 0.000 2.017 115 L HA 0.018 4.457 4.340 0.164 0.000 0.208 115 L C 2.314 179.197 176.870 0.021 0.000 1.073 115 L CA 1.414 56.284 54.840 0.049 0.000 0.745 115 L CB -0.220 41.891 42.059 0.087 0.000 0.894 115 L HN 0.247 nan 8.230 nan 0.000 0.432 116 L N -0.833 120.402 121.223 0.020 0.000 2.209 116 L HA -0.136 4.302 4.340 0.164 0.000 0.207 116 L C 1.030 177.903 176.870 0.005 0.000 1.094 116 L CA 1.612 56.455 54.840 0.005 0.000 0.790 116 L CB 0.060 42.127 42.059 0.012 0.000 0.932 116 L HN 0.558 nan 8.230 nan 0.000 0.447 117 D N -1.652 118.756 120.400 0.013 0.000 2.954 117 D HA -0.180 4.558 4.640 0.164 0.000 0.200 117 D C 0.078 176.382 176.300 0.007 0.000 1.022 117 D CA 0.615 54.620 54.000 0.009 0.000 1.003 117 D CB -1.382 39.420 40.800 0.003 0.000 1.073 117 D HN 0.217 nan 8.370 nan 0.000 0.438 118 L N 0.395 121.626 121.223 0.013 0.000 2.475 118 L HA 0.347 4.785 4.340 0.164 0.000 0.250 118 L C 1.101 177.978 176.870 0.012 0.000 1.224 118 L CA -0.355 54.492 54.840 0.013 0.000 0.821 118 L CB 0.388 42.463 42.059 0.026 0.000 1.141 118 L HN -0.059 nan 8.230 nan 0.000 0.494 119 S N 0.378 116.081 115.700 0.005 0.000 2.563 119 S HA -0.009 4.560 4.470 0.164 0.000 0.294 119 S C 0.998 175.603 174.600 0.008 0.000 1.279 119 S CA 0.108 58.308 58.200 -0.000 0.000 1.069 119 S CB 1.138 64.331 63.200 -0.011 0.000 0.828 119 S HN 0.687 nan 8.310 nan 0.000 0.497 120 A N 3.475 126.297 122.820 0.003 0.000 1.930 120 A HA -0.063 4.355 4.320 0.164 0.000 0.217 120 A C 2.115 179.696 177.584 -0.005 0.000 1.175 120 A CA 1.761 53.800 52.037 0.004 0.000 0.627 120 A CB -0.578 18.420 19.000 -0.002 0.000 0.815 120 A HN 0.856 nan 8.150 nan 0.000 0.443 121 T N -4.573 109.975 114.554 -0.011 0.000 2.955 121 T HA 0.233 4.682 4.350 0.164 0.000 0.251 121 T C 1.452 176.144 174.700 -0.013 0.000 1.002 121 T CA 0.712 62.801 62.100 -0.019 0.000 0.970 121 T CB 0.291 69.147 68.868 -0.020 0.000 1.091 121 T HN 0.456 nan 8.240 nan 0.000 0.495 122 E N 0.143 120.336 120.200 -0.011 0.000 2.175 122 E HA 0.226 4.674 4.350 0.164 0.000 0.195 122 E C 1.815 178.404 176.600 -0.017 0.000 0.934 122 E CA -0.010 56.382 56.400 -0.014 0.000 0.870 122 E CB 0.081 29.767 29.700 -0.024 0.000 0.838 122 E HN 0.176 nan 8.360 nan 0.000 0.474 123 L N 1.764 122.976 121.223 -0.017 0.000 2.046 123 L HA -0.137 4.301 4.340 0.164 0.000 0.208 123 L C 2.106 179.000 176.870 0.040 0.000 1.077 123 L CA 1.668 56.496 54.840 -0.019 0.000 0.747 123 L CB -0.475 41.576 42.059 -0.013 0.000 0.896 123 L HN 0.132 nan 8.230 nan 0.000 0.432 124 E N -0.385 119.861 120.200 0.077 0.000 2.026 124 E HA -0.334 4.114 4.350 0.164 0.000 0.206 124 E C 2.245 178.975 176.600 0.217 0.000 1.028 124 E CA 1.880 58.395 56.400 0.193 0.000 0.845 124 E CB -0.385 29.345 29.700 0.049 0.000 0.772 124 E HN 0.505 nan 8.360 nan 0.000 0.462 125 Q N -0.396 119.456 119.800 0.086 0.000 2.268 125 Q HA -0.171 4.267 4.340 0.164 0.000 0.210 125 Q C 2.000 178.179 176.000 0.299 0.000 0.988 125 Q CA 1.670 57.583 55.803 0.183 0.000 0.883 125 Q CB -0.126 28.724 28.738 0.187 0.000 0.911 125 Q HN 0.215 nan 8.270 nan 0.000 0.430 126 V N 0.242 120.255 119.914 0.166 0.000 2.343 126 V HA -0.228 3.990 4.120 0.164 0.000 0.247 126 V C 1.674 177.998 176.094 0.383 0.000 1.051 126 V CA 1.895 64.283 62.300 0.147 0.000 1.036 126 V CB -0.389 31.288 31.823 -0.244 0.000 0.654 126 V HN 0.605 nan 8.190 nan 0.000 0.451 127 L N -4.689 116.683 121.223 0.249 0.000 2.858 127 L HA 0.370 4.808 4.340 0.164 0.000 0.251 127 L C 1.749 178.675 176.870 0.093 0.000 1.149 127 L CA 0.431 55.388 54.840 0.194 0.000 0.955 127 L CB -1.366 40.755 42.059 0.103 0.000 1.289 127 L HN 0.093 nan 8.230 nan 0.000 0.542 128 Y N 0.582 120.834 120.300 -0.080 0.000 2.224 128 Y HA -0.096 4.552 4.550 0.164 0.000 0.289 128 Y C 1.805 177.502 175.900 -0.338 0.000 1.146 128 Y CA 2.272 60.199 58.100 -0.289 0.000 1.182 128 Y CB -0.286 37.856 38.460 -0.530 0.000 0.983 128 Y HN 0.191 nan 8.280 nan 0.000 0.524 129 F N -0.835 119.235 119.950 0.201 0.000 2.789 129 F HA 0.045 4.671 4.527 0.164 0.000 0.300 129 F C 1.682 177.523 175.800 0.069 0.000 1.132 129 F CA 0.649 58.720 58.000 0.117 0.000 1.404 129 F CB -0.198 38.865 39.000 0.105 0.000 1.114 129 F HN 0.083 nan 8.300 nan 0.000 0.584 130 S N -0.854 114.962 115.700 0.194 0.000 2.659 130 S HA -0.313 4.256 4.470 0.164 0.000 0.264 130 S C 1.335 175.987 174.600 0.087 0.000 1.310 130 S CA 0.969 59.234 58.200 0.109 0.000 1.262 130 S CB -2.125 61.116 63.200 0.068 0.000 1.548 130 S HN 0.546 nan 8.310 nan 0.000 0.657 131 K N 0.226 120.692 120.400 0.110 0.000 2.057 131 K HA -0.023 4.396 4.320 0.164 0.000 0.207 131 K C 0.354 176.827 176.600 -0.213 0.000 1.049 131 K CA 1.403 57.643 56.287 -0.077 0.000 0.931 131 K CB -0.068 32.340 32.500 -0.154 0.000 0.714 131 K HN 0.663 nan 8.250 nan 0.000 0.440 132 Y N 0.430 120.765 120.300 0.059 0.000 2.488 132 Y HA 0.305 4.954 4.550 0.164 0.000 0.325 132 Y C 0.764 176.666 175.900 0.002 0.000 1.204 132 Y CA -1.254 56.867 58.100 0.034 0.000 1.229 132 Y CB 0.922 39.407 38.460 0.042 0.000 1.274 132 Y HN -0.151 nan 8.280 nan 0.000 0.493 133 I N 2.041 122.701 120.570 0.150 0.000 2.783 133 I HA 0.469 4.737 4.170 0.164 0.000 0.312 133 I C -0.253 175.848 176.117 -0.027 0.000 0.988 133 I CA -0.813 60.491 61.300 0.007 0.000 1.182 133 I CB 1.447 39.399 38.000 -0.081 0.000 1.368 133 I HN 0.361 nan 8.210 nan 0.000 0.511 134 V N 2.281 122.136 119.914 -0.099 0.000 3.102 134 V HA 0.635 4.854 4.120 0.164 0.000 0.312 134 V C -0.561 175.445 176.094 -0.147 0.000 1.135 134 V CA -0.886 61.355 62.300 -0.097 0.000 1.022 134 V CB 2.591 34.367 31.823 -0.078 0.000 1.056 134 V HN 0.512 nan 8.190 nan 0.000 0.436 135 L N 0.501 121.656 121.223 -0.113 0.000 2.323 135 L HA 0.686 5.125 4.340 0.164 0.000 0.265 135 L C -0.285 176.534 176.870 -0.085 0.000 1.012 135 L CA -0.251 54.519 54.840 -0.118 0.000 0.820 135 L CB 2.320 44.322 42.059 -0.095 0.000 1.334 135 L HN 0.956 nan 8.230 nan 0.000 0.427 136 D N 0.365 120.719 120.400 -0.077 0.000 3.222 136 D HA 0.343 5.081 4.640 0.164 0.000 0.190 136 D C -1.727 174.551 176.300 -0.036 0.000 1.235 136 D CA -0.137 53.832 54.000 -0.052 0.000 1.213 136 D CB -0.006 40.766 40.800 -0.048 0.000 1.103 136 D HN 0.255 nan 8.370 nan 0.000 0.468 137 P HA -0.011 nan 4.420 nan 0.000 0.214 137 P C -0.190 177.099 177.300 -0.017 0.000 1.162 137 P CA 1.687 64.778 63.100 -0.014 0.000 0.879 137 P CB 0.019 31.718 31.700 -0.001 0.000 0.786 138 K N -0.716 119.671 120.400 -0.022 0.000 2.557 138 K HA 0.591 5.009 4.320 0.164 0.000 0.257 138 K C -1.270 175.291 176.600 -0.066 0.000 0.933 138 K CA -0.653 55.608 56.287 -0.043 0.000 0.820 138 K CB 1.795 34.267 32.500 -0.046 0.000 1.330 138 K HN 0.063 nan 8.250 nan 0.000 0.432 139 G N 0.670 109.422 108.800 -0.080 0.000 2.683 139 G HA2 0.571 4.630 3.960 0.164 0.000 0.299 139 G HA3 0.571 4.630 3.960 0.164 0.000 0.299 139 G C 0.052 174.878 174.900 -0.122 0.000 1.432 139 G CA -0.361 44.683 45.100 -0.094 0.000 0.978 139 G HN 0.680 nan 8.290 nan 0.000 0.513 140 A N 3.181 125.868 122.820 -0.222 0.000 2.095 140 A HA 0.362 4.780 4.320 0.164 0.000 0.212 140 A C 1.072 178.650 177.584 -0.011 0.000 1.162 140 A CA 0.305 52.270 52.037 -0.120 0.000 0.753 140 A CB 0.061 18.975 19.000 -0.143 0.000 0.840 140 A HN 0.563 nan 8.150 nan 0.000 0.468 141 I N 1.412 121.979 120.570 -0.004 0.000 2.532 141 I HA 0.385 4.653 4.170 0.164 0.000 0.292 141 I C -1.341 174.798 176.117 0.037 0.000 1.014 141 I CA -0.858 60.467 61.300 0.043 0.000 1.340 141 I CB 1.422 39.464 38.000 0.070 0.000 1.422 141 I HN 0.141 nan 8.210 nan 0.000 0.528 142 L N 6.347 127.595 121.223 0.043 0.000 2.313 142 L HA 0.469 4.908 4.340 0.164 0.000 0.283 142 L C 1.213 178.108 176.870 0.041 0.000 1.013 142 L CA -0.638 54.223 54.840 0.036 0.000 0.816 142 L CB 0.551 42.629 42.059 0.031 0.000 1.236 142 L HN 0.509 nan 8.230 nan 0.000 0.419 143 N N 2.180 120.904 118.700 0.040 0.000 2.166 143 N HA -0.090 4.748 4.740 0.164 0.000 0.186 143 N C 1.038 176.570 175.510 0.038 0.000 1.019 143 N CA 1.524 54.600 53.050 0.044 0.000 0.856 143 N CB 0.041 38.554 38.487 0.044 0.000 0.993 143 N HN 0.894 nan 8.380 nan 0.000 0.426 144 G N -1.097 107.722 108.800 0.032 0.000 3.842 144 G HA2 0.200 4.259 3.960 0.164 0.000 0.153 144 G HA3 0.200 4.259 3.960 0.164 0.000 0.153 144 G C -0.596 174.318 174.900 0.023 0.000 1.165 144 G CA 0.198 45.315 45.100 0.027 0.000 0.819 144 G HN 0.241 nan 8.290 nan 0.000 0.717 145 V N 1.110 121.038 119.914 0.022 0.000 3.040 145 V HA 0.717 4.936 4.120 0.164 0.000 0.312 145 V C -2.278 173.826 176.094 0.017 0.000 1.115 145 V CA -2.212 60.099 62.300 0.017 0.000 0.998 145 V CB 2.763 34.595 31.823 0.014 0.000 1.042 145 V HN 0.015 nan 8.190 nan 0.000 0.433 146 P HA -0.000 nan 4.420 nan 0.000 0.272 146 P C -0.664 176.641 177.300 0.008 0.000 1.243 146 P CA 0.198 63.305 63.100 0.012 0.000 0.803 146 P CB 0.268 31.974 31.700 0.010 0.000 0.974 147 V N 0.612 120.527 119.914 0.002 0.000 2.673 147 V HA -0.035 4.183 4.120 0.164 0.000 0.303 147 V C 0.055 176.144 176.094 -0.009 0.000 1.046 147 V CA 0.221 62.517 62.300 -0.006 0.000 1.126 147 V CB -0.105 31.706 31.823 -0.021 0.000 0.934 147 V HN 0.357 nan 8.190 nan 0.000 0.487 148 E N 5.160 125.353 120.200 -0.012 0.000 2.105 148 E HA 0.247 4.696 4.350 0.164 0.000 0.285 148 E C 0.727 177.312 176.600 -0.025 0.000 1.055 148 E CA -0.071 56.320 56.400 -0.016 0.000 0.843 148 E CB 1.180 30.870 29.700 -0.017 0.000 1.067 148 E HN 0.681 nan 8.360 nan 0.000 0.398 149 K N 2.178 122.565 120.400 -0.022 0.000 2.074 149 K HA -0.143 4.276 4.320 0.164 0.000 0.209 149 K C 1.127 177.708 176.600 -0.032 0.000 1.048 149 K CA 1.493 57.765 56.287 -0.025 0.000 0.926 149 K CB 0.134 32.622 32.500 -0.019 0.000 0.713 149 K HN 0.241 nan 8.250 nan 0.000 0.444 150 R N -0.915 119.566 120.500 -0.032 0.000 2.568 150 R HA 0.163 4.602 4.340 0.164 0.000 0.254 150 R C 0.418 176.694 176.300 -0.040 0.000 0.925 150 R CA -0.303 55.775 56.100 -0.038 0.000 1.025 150 R CB 0.380 30.661 30.300 -0.032 0.000 1.428 150 R HN 0.031 nan 8.270 nan 0.000 0.573 151 Q N 1.587 121.368 119.800 -0.033 0.000 2.793 151 Q HA 0.137 4.576 4.340 0.164 0.000 0.220 151 Q C -0.112 175.863 176.000 -0.041 0.000 1.123 151 Q CA 0.621 56.406 55.803 -0.031 0.000 1.073 151 Q CB 0.392 29.117 28.738 -0.021 0.000 1.315 151 Q HN 0.268 nan 8.270 nan 0.000 0.619 152 L N -0.721 120.484 121.223 -0.029 0.000 2.370 152 L HA 0.782 5.221 4.340 0.164 0.000 0.266 152 L C -1.333 175.540 176.870 0.005 0.000 1.002 152 L CA -1.449 53.376 54.840 -0.026 0.000 0.818 152 L CB 1.374 43.433 42.059 -0.001 0.000 1.325 152 L HN 0.414 nan 8.230 nan 0.000 0.418 153 L N -0.676 120.555 121.223 0.014 0.000 2.350 153 L HA 0.697 5.136 4.340 0.164 0.000 0.260 153 L C 0.306 177.237 176.870 0.103 0.000 1.015 153 L CA -0.825 54.050 54.840 0.058 0.000 0.821 153 L CB 1.101 43.193 42.059 0.055 0.000 1.370 153 L HN 0.694 nan 8.230 nan 0.000 0.416 154 T N -0.438 114.190 114.554 0.122 0.000 2.928 154 T HA -0.008 4.440 4.350 0.164 0.000 0.305 154 T C 1.095 175.872 174.700 0.130 0.000 1.035 154 T CA 0.630 62.806 62.100 0.128 0.000 1.145 154 T CB -0.016 68.917 68.868 0.109 0.000 0.963 154 T HN 0.914 nan 8.240 nan 0.000 0.545 155 D N 2.615 123.085 120.400 0.117 0.000 2.172 155 D HA -0.172 4.567 4.640 0.164 0.000 0.196 155 D C 1.309 177.658 176.300 0.082 0.000 0.999 155 D CA 1.476 55.560 54.000 0.141 0.000 0.856 155 D CB 0.231 41.079 40.800 0.080 0.000 0.934 155 D HN 0.663 nan 8.370 nan 0.000 0.453 156 E N 0.420 120.653 120.200 0.054 0.000 2.110 156 E HA -0.163 4.285 4.350 0.164 0.000 0.193 156 E C 2.108 178.731 176.600 0.038 0.000 0.988 156 E CA 0.956 57.375 56.400 0.030 0.000 0.804 156 E CB -0.257 29.460 29.700 0.029 0.000 0.745 156 E HN 0.428 nan 8.360 nan 0.000 0.458 157 E N -0.246 119.997 120.200 0.071 0.000 2.170 157 E HA -0.081 4.367 4.350 0.164 0.000 0.191 157 E C 1.789 178.456 176.600 0.112 0.000 0.981 157 E CA 0.311 56.759 56.400 0.080 0.000 0.830 157 E CB -0.470 29.281 29.700 0.084 0.000 0.775 157 E HN 0.289 nan 8.360 nan 0.000 0.470 158 Y N 1.782 122.078 120.300 -0.006 0.000 2.145 158 Y HA -0.133 4.515 4.550 0.164 0.000 0.286 158 Y C 1.783 177.653 175.900 -0.051 0.000 1.145 158 Y CA 1.704 59.780 58.100 -0.040 0.000 1.148 158 Y CB -0.266 38.154 38.460 -0.067 0.000 0.981 158 Y HN -0.130 nan 8.280 nan 0.000 0.507 159 R N 0.199 120.477 120.500 -0.369 0.000 2.096 159 R HA -0.164 4.274 4.340 0.164 0.000 0.235 159 R C 2.345 178.575 176.300 -0.118 0.000 1.127 159 R CA 1.376 57.260 56.100 -0.360 0.000 0.968 159 R CB -0.384 29.799 30.300 -0.195 0.000 0.861 159 R HN 0.427 nan 8.270 nan 0.000 0.440 160 E N 0.806 120.985 120.200 -0.036 0.000 2.077 160 E HA -0.173 4.276 4.350 0.164 0.000 0.193 160 E C 1.274 177.902 176.600 0.047 0.000 0.989 160 E CA 1.382 57.794 56.400 0.021 0.000 0.800 160 E CB 0.294 30.018 29.700 0.040 0.000 0.746 160 E HN 0.186 nan 8.360 nan 0.000 0.452 161 L N -1.205 120.052 121.223 0.057 0.000 2.685 161 L HA 0.277 4.715 4.340 0.164 0.000 0.235 161 L C 2.073 179.011 176.870 0.113 0.000 1.070 161 L CA 0.119 55.012 54.840 0.089 0.000 0.888 161 L CB -0.955 41.158 42.059 0.091 0.000 1.203 161 L HN -0.176 nan 8.230 nan 0.000 0.499 162 R N 0.062 120.622 120.500 0.099 0.000 2.073 162 R HA 0.015 4.454 4.340 0.164 0.000 0.234 162 R C 1.768 178.188 176.300 0.200 0.000 1.134 162 R CA 1.557 57.743 56.100 0.143 0.000 0.952 162 R CB -0.704 29.756 30.300 0.267 0.000 0.850 162 R HN 0.473 nan 8.270 nan 0.000 0.433 163 Y N -0.751 119.487 120.300 -0.103 0.000 2.467 163 Y HA 0.274 4.922 4.550 0.164 0.000 0.250 163 Y C 0.641 176.517 175.900 -0.040 0.000 1.155 163 Y CA -0.324 57.721 58.100 -0.093 0.000 1.249 163 Y CB 0.911 39.261 38.460 -0.183 0.000 1.146 163 Y HN 0.235 nan 8.280 nan 0.000 0.524 164 G N 2.142 111.025 108.800 0.139 0.000 2.730 164 G HA2 -0.201 3.858 3.960 0.164 0.000 0.686 164 G HA3 -0.201 3.858 3.960 0.164 0.000 0.686 164 G C -1.184 173.758 174.900 0.071 0.000 1.343 164 G CA -0.790 44.369 45.100 0.099 0.000 0.826 164 G HN 0.057 nan 8.290 nan 0.000 0.582 165 K N 0.918 121.358 120.400 0.067 0.000 2.690 165 K HA 0.351 4.769 4.320 0.164 0.000 0.243 165 K C -0.740 175.901 176.600 0.068 0.000 0.982 165 K CA -0.652 55.670 56.287 0.059 0.000 0.955 165 K CB 1.349 33.882 32.500 0.055 0.000 1.185 165 K HN 0.625 nan 8.250 nan 0.000 0.467 166 Q N 3.302 123.140 119.800 0.063 0.000 2.322 166 Q HA 0.144 4.583 4.340 0.164 0.000 0.256 166 Q C -1.167 174.882 176.000 0.083 0.000 0.960 166 Q CA 0.070 55.916 55.803 0.072 0.000 0.934 166 Q CB 1.175 29.948 28.738 0.058 0.000 1.200 166 Q HN 0.698 nan 8.270 nan 0.000 0.435 167 E N 3.138 123.412 120.200 0.123 0.000 2.145 167 E HA 0.345 4.794 4.350 0.164 0.000 0.270 167 E C -0.945 175.794 176.600 0.232 0.000 0.906 167 E CA -0.375 56.111 56.400 0.143 0.000 0.761 167 E CB 1.112 30.914 29.700 0.170 0.000 1.116 167 E HN 0.446 nan 8.360 nan 0.000 0.408 168 T N 3.105 117.738 114.554 0.132 0.000 2.874 168 T HA 0.302 4.750 4.350 0.164 0.000 0.281 168 T C -1.057 173.719 174.700 0.126 0.000 0.994 168 T CA -0.055 62.161 62.100 0.193 0.000 1.015 168 T CB 0.373 69.301 68.868 0.101 0.000 1.028 168 T HN 0.333 nan 8.240 nan 0.000 0.523 169 Y N 0.720 121.039 120.300 0.033 0.000 2.422 169 Y HA 0.336 4.984 4.550 0.164 0.000 0.344 169 Y C -2.484 173.438 175.900 0.037 0.000 1.097 169 Y CA -2.480 55.640 58.100 0.033 0.000 1.307 169 Y CB 0.778 39.259 38.460 0.035 0.000 1.102 169 Y HN 0.432 nan 8.280 nan 0.000 0.520 170 P HA 0.194 nan 4.420 nan 0.000 0.270 170 P C -0.748 176.614 177.300 0.103 0.000 1.223 170 P CA -0.093 63.065 63.100 0.097 0.000 0.785 170 P CB 1.031 32.763 31.700 0.052 0.000 0.923 171 L N 2.922 124.198 121.223 0.087 0.000 2.386 171 L HA 0.514 4.953 4.340 0.164 0.000 0.271 171 L C -2.271 174.635 176.870 0.060 0.000 0.993 171 L CA -2.284 52.605 54.840 0.081 0.000 0.819 171 L CB 2.290 44.405 42.059 0.093 0.000 1.294 171 L HN 0.310 nan 8.230 nan 0.000 0.414 172 P HA 0.149 nan 4.420 nan 0.000 0.267 172 P C -2.715 174.609 177.300 0.039 0.000 1.200 172 P CA -0.911 62.212 63.100 0.039 0.000 0.772 172 P CB -0.099 31.622 31.700 0.035 0.000 0.855 173 P HA 0.004 nan 4.420 nan 0.000 0.269 173 P C 0.814 178.132 177.300 0.030 0.000 1.209 173 P CA 0.755 63.872 63.100 0.028 0.000 0.776 173 P CB 0.079 31.790 31.700 0.018 0.000 0.876 174 G N 0.880 109.700 108.800 0.033 0.000 2.160 174 G HA2 -0.170 3.889 3.960 0.164 0.000 0.251 174 G HA3 -0.170 3.889 3.960 0.164 0.000 0.251 174 G C -0.164 174.758 174.900 0.038 0.000 1.008 174 G CA -0.002 45.118 45.100 0.034 0.000 0.724 174 G HN 0.538 nan 8.290 nan 0.000 0.514 175 V N 1.410 121.352 119.914 0.047 0.000 2.495 175 V HA 0.596 4.814 4.120 0.164 0.000 0.298 175 V C -0.058 176.077 176.094 0.067 0.000 1.031 175 V CA -0.558 61.771 62.300 0.049 0.000 0.871 175 V CB 1.970 33.821 31.823 0.047 0.000 0.988 175 V HN 0.462 nan 8.190 nan 0.000 0.432 176 D N 3.217 123.654 120.400 0.062 0.000 2.229 176 D HA 0.679 5.418 4.640 0.164 0.000 0.249 176 D C -0.044 176.305 176.300 0.082 0.000 1.027 176 D CA -0.495 53.559 54.000 0.089 0.000 0.923 176 D CB 2.026 42.875 40.800 0.082 0.000 1.174 176 D HN 0.668 nan 8.370 nan 0.000 0.443 177 A N 0.893 123.780 122.820 0.112 0.000 2.281 177 A HA 0.505 4.924 4.320 0.164 0.000 0.329 177 A C 0.671 178.309 177.584 0.090 0.000 1.122 177 A CA -0.837 51.254 52.037 0.090 0.000 0.850 177 A CB 0.666 19.726 19.000 0.101 0.000 1.207 177 A HN 0.637 nan 8.150 nan 0.000 0.495 178 L N 0.946 122.200 121.223 0.051 0.000 2.700 178 L HA 0.217 4.655 4.340 0.164 0.000 0.234 178 L C -0.772 176.114 176.870 0.026 0.000 1.156 178 L CA 0.259 55.124 54.840 0.043 0.000 0.946 178 L CB 0.025 42.089 42.059 0.009 0.000 1.216 178 L HN 0.399 nan 8.230 nan 0.000 0.493 179 V N -0.437 119.483 119.914 0.010 0.000 2.925 179 V HA 0.347 4.566 4.120 0.164 0.000 0.311 179 V C -0.007 176.032 176.094 -0.090 0.000 1.104 179 V CA -1.120 61.161 62.300 -0.032 0.000 0.954 179 V CB 2.579 34.382 31.823 -0.033 0.000 1.022 179 V HN 0.041 nan 8.190 nan 0.000 0.427 180 K N 1.335 121.646 120.400 -0.148 0.000 2.525 180 K HA 0.191 4.609 4.320 0.164 0.000 0.262 180 K C 1.162 177.590 176.600 -0.287 0.000 1.049 180 K CA -0.429 55.673 56.287 -0.309 0.000 0.961 180 K CB 0.332 32.677 32.500 -0.258 0.000 1.258 180 K HN 0.726 nan 8.250 nan 0.000 0.501 181 D N 0.263 120.427 120.400 -0.394 0.000 2.177 181 D HA -0.167 4.572 4.640 0.164 0.000 0.189 181 D C 0.820 177.172 176.300 0.087 0.000 1.002 181 D CA 2.118 56.146 54.000 0.047 0.000 0.845 181 D CB -0.169 40.660 40.800 0.047 0.000 0.960 181 D HN 0.708 nan 8.370 nan 0.000 0.447 182 G N 0.366 109.166 108.800 -0.000 0.000 4.552 182 G HA2 0.089 4.147 3.960 0.164 0.000 0.281 182 G HA3 0.089 4.147 3.960 0.164 0.000 0.281 182 G C -0.226 174.659 174.900 -0.024 0.000 1.037 182 G CA -0.313 44.790 45.100 0.005 0.000 0.806 182 G HN 0.291 nan 8.290 nan 0.000 0.495 183 E N 1.644 121.815 120.200 -0.047 0.000 2.415 183 E HA 0.023 4.472 4.350 0.164 0.000 0.263 183 E C -0.300 176.275 176.600 -0.042 0.000 0.995 183 E CA -0.239 56.129 56.400 -0.053 0.000 0.915 183 E CB 0.521 30.181 29.700 -0.067 0.000 0.951 183 E HN 0.063 nan 8.360 nan 0.000 0.449 184 E N 2.825 123.000 120.200 -0.041 0.000 2.585 184 E HA 0.001 4.450 4.350 0.164 0.000 0.252 184 E C -0.635 175.942 176.600 -0.039 0.000 0.981 184 E CA 0.319 56.696 56.400 -0.038 0.000 0.943 184 E CB 0.915 30.590 29.700 -0.040 0.000 0.923 184 E HN 0.252 nan 8.360 nan 0.000 0.486 185 V N 3.547 123.437 119.914 -0.040 0.000 2.864 185 V HA 0.328 4.546 4.120 0.164 0.000 0.314 185 V C 0.105 176.174 176.094 -0.041 0.000 1.073 185 V CA -0.918 61.353 62.300 -0.048 0.000 0.956 185 V CB 2.375 34.155 31.823 -0.072 0.000 1.023 185 V HN 0.345 nan 8.190 nan 0.000 0.435 186 V N 2.853 122.745 119.914 -0.038 0.000 2.472 186 V HA 0.370 4.589 4.120 0.164 0.000 0.290 186 V C 0.281 176.360 176.094 -0.026 0.000 1.037 186 V CA -1.007 61.277 62.300 -0.026 0.000 0.908 186 V CB 1.547 33.359 31.823 -0.019 0.000 0.985 186 V HN 0.861 nan 8.190 nan 0.000 0.454 187 K N 2.882 123.276 120.400 -0.011 0.000 2.453 187 K HA 0.287 4.705 4.320 0.164 0.000 0.280 187 K C 1.130 177.736 176.600 0.010 0.000 1.045 187 K CA 1.197 57.486 56.287 0.004 0.000 1.059 187 K CB -0.206 32.307 32.500 0.022 0.000 0.901 187 K HN 1.142 nan 8.250 nan 0.000 0.475 188 G N 2.639 111.448 108.800 0.016 0.000 2.213 188 G HA2 -0.280 3.778 3.960 0.164 0.000 0.226 188 G HA3 -0.280 3.778 3.960 0.164 0.000 0.226 188 G C 0.056 174.962 174.900 0.011 0.000 0.992 188 G CA 0.173 45.286 45.100 0.022 0.000 0.632 188 G HN 0.674 nan 8.290 nan 0.000 0.511 189 Q N 0.960 120.756 119.800 -0.006 0.000 2.392 189 Q HA 0.401 4.840 4.340 0.164 0.000 0.262 189 Q C -0.133 175.862 176.000 -0.008 0.000 1.003 189 Q CA -0.025 55.771 55.803 -0.011 0.000 0.888 189 Q CB 0.273 28.997 28.738 -0.024 0.000 1.260 189 Q HN 0.484 nan 8.270 nan 0.000 0.435 190 E N 4.237 124.436 120.200 -0.001 0.000 1.932 190 E HA 0.020 4.468 4.350 0.164 0.000 0.275 190 E C 0.527 177.128 176.600 0.002 0.000 1.159 190 E CA -0.139 56.266 56.400 0.008 0.000 0.905 190 E CB 0.411 30.118 29.700 0.011 0.000 1.059 190 E HN 0.649 nan 8.360 nan 0.000 0.400 191 L N 1.987 123.209 121.223 -0.001 0.000 2.263 191 L HA -0.151 4.287 4.340 0.164 0.000 0.216 191 L C 0.989 177.871 176.870 0.019 0.000 1.111 191 L CA 0.940 55.778 54.840 -0.004 0.000 0.773 191 L CB -0.326 41.726 42.059 -0.011 0.000 0.906 191 L HN 0.454 nan 8.230 nan 0.000 0.439 192 A N -2.283 120.552 122.820 0.026 0.000 2.540 192 A HA 0.464 4.882 4.320 0.164 0.000 0.291 192 A C -2.109 175.490 177.584 0.024 0.000 1.083 192 A CA -0.726 51.328 52.037 0.027 0.000 0.650 192 A CB 0.093 19.117 19.000 0.041 0.000 1.292 192 A HN -0.214 nan 8.150 nan 0.000 0.435 193 P HA -0.168 nan 4.420 nan 0.000 0.216 193 P C 1.260 178.574 177.300 0.023 0.000 1.154 193 P CA 2.582 65.692 63.100 0.016 0.000 0.865 193 P CB 0.048 31.755 31.700 0.012 0.000 0.789 194 G N -1.199 107.619 108.800 0.030 0.000 2.921 194 G HA2 0.233 4.291 3.960 0.164 0.000 0.213 194 G HA3 0.233 4.291 3.960 0.164 0.000 0.213 194 G C 0.314 175.244 174.900 0.049 0.000 1.143 194 G CA 0.070 45.190 45.100 0.035 0.000 0.764 194 G HN 0.194 nan 8.290 nan 0.000 0.542 195 V N 0.808 120.757 119.914 0.060 0.000 2.581 195 V HA 0.675 4.893 4.120 0.164 0.000 0.303 195 V C -0.499 175.647 176.094 0.087 0.000 1.041 195 V CA -0.730 61.625 62.300 0.091 0.000 0.907 195 V CB 1.900 33.792 31.823 0.115 0.000 0.994 195 V HN -0.070 nan 8.190 nan 0.000 0.442 196 V N 2.096 122.084 119.914 0.124 0.000 2.925 196 V HA 0.521 4.739 4.120 0.164 0.000 0.311 196 V C -0.092 176.102 176.094 0.167 0.000 1.104 196 V CA -0.491 61.866 62.300 0.095 0.000 0.954 196 V CB 2.529 34.398 31.823 0.076 0.000 1.022 196 V HN 0.873 nan 8.190 nan 0.000 0.427 197 S N 1.650 117.363 115.700 0.023 0.000 2.646 197 S HA 0.480 5.049 4.470 0.164 0.000 0.276 197 S C 0.754 175.434 174.600 0.134 0.000 1.222 197 S CA -0.666 57.489 58.200 -0.076 0.000 1.014 197 S CB 1.265 64.222 63.200 -0.405 0.000 0.991 197 S HN 0.714 nan 8.310 nan 0.000 0.533 198 R N -0.101 120.572 120.500 0.288 0.000 2.365 198 R HA 0.382 4.821 4.340 0.164 0.000 0.223 198 R C -0.844 175.537 176.300 0.136 0.000 0.899 198 R CA 0.002 56.232 56.100 0.217 0.000 1.059 198 R CB 0.200 30.648 30.300 0.247 0.000 1.086 198 R HN 0.270 nan 8.270 nan 0.000 0.522 199 L N 0.144 121.422 121.223 0.091 0.000 2.424 199 L HA 0.343 4.782 4.340 0.164 0.000 0.258 199 L C -1.141 175.732 176.870 0.004 0.000 0.995 199 L CA -0.673 54.200 54.840 0.055 0.000 0.821 199 L CB 2.345 44.458 42.059 0.091 0.000 1.383 199 L HN -0.118 nan 8.230 nan 0.000 0.410 200 D N 0.800 121.207 120.400 0.012 0.000 2.388 200 D HA 0.703 5.442 4.640 0.164 0.000 0.254 200 D C 0.240 176.545 176.300 0.007 0.000 1.111 200 D CA 0.743 54.742 54.000 -0.001 0.000 0.993 200 D CB 2.028 42.831 40.800 0.004 0.000 1.118 200 D HN 0.755 nan 8.370 nan 0.000 0.502 201 G N -0.727 108.072 108.800 -0.001 0.000 1.672 201 G HA2 -0.080 3.979 3.960 0.164 0.000 0.110 201 G HA3 -0.080 3.979 3.960 0.164 0.000 0.110 201 G C -1.074 173.826 174.900 0.000 0.000 1.946 201 G CA -0.033 45.072 45.100 0.009 0.000 1.302 201 G HN 0.547 nan 8.290 nan 0.000 0.416 202 V N 0.891 120.807 119.914 0.004 0.000 2.817 202 V HA 0.755 4.973 4.120 0.164 0.000 0.303 202 V C -0.234 175.856 176.094 -0.006 0.000 1.151 202 V CA -0.175 62.125 62.300 0.000 0.000 0.929 202 V CB 1.515 33.351 31.823 0.021 0.000 1.030 202 V HN 1.910 nan 8.190 nan 0.000 0.427 203 A N 4.400 127.208 122.820 -0.019 0.000 2.256 203 A HA 0.814 5.233 4.320 0.164 0.000 0.317 203 A C -0.901 176.691 177.584 0.014 0.000 1.318 203 A CA -0.428 51.593 52.037 -0.027 0.000 0.894 203 A CB 0.799 19.762 19.000 -0.062 0.000 1.165 203 A HN 0.855 nan 8.150 nan 0.000 0.525 204 L N 3.310 124.554 121.223 0.035 0.000 2.350 204 L HA 0.566 5.005 4.340 0.164 0.000 0.275 204 L C -0.475 176.460 176.870 0.108 0.000 1.099 204 L CA -0.284 54.595 54.840 0.064 0.000 0.808 204 L CB 0.677 42.761 42.059 0.043 0.000 1.149 204 L HN 0.629 nan 8.230 nan 0.000 0.442 205 Y N 4.772 125.039 120.300 -0.056 0.000 2.393 205 Y HA 0.568 5.216 4.550 0.164 0.000 0.341 205 Y C 0.422 176.238 175.900 -0.139 0.000 0.988 205 Y CA -0.715 57.348 58.100 -0.062 0.000 1.078 205 Y CB 1.260 39.686 38.460 -0.057 0.000 1.203 205 Y HN 0.631 nan 8.280 nan 0.000 0.453 206 R N 3.720 123.857 120.500 -0.605 0.000 2.074 206 R HA 0.227 4.666 4.340 0.164 0.000 0.218 206 R C -0.955 174.292 176.300 -1.756 0.000 1.137 206 R CA 0.599 56.152 56.100 -0.911 0.000 0.998 206 R CB -0.087 30.054 30.300 -0.266 0.000 0.895 206 R HN 0.636 nan 8.270 nan 0.000 0.442 207 F N 0.999 120.517 119.950 -0.721 0.000 2.588 207 F HA 0.405 5.031 4.527 0.164 0.000 0.310 207 F C -2.271 173.387 175.800 -0.235 0.000 1.082 207 F CA -2.663 55.050 58.000 -0.479 0.000 0.929 207 F CB 2.497 41.376 39.000 -0.202 0.000 1.254 207 F HN -0.151 nan 8.300 nan 0.000 0.455 208 P HA 0.262 nan 4.420 nan 0.000 0.253 208 P C 0.069 177.483 177.300 0.189 0.000 1.667 208 P CA -0.305 62.983 63.100 0.313 0.000 1.118 208 P CB 1.059 32.943 31.700 0.306 0.000 1.595 209 R N 2.630 123.234 120.500 0.174 0.000 2.316 209 R HA 0.061 4.499 4.340 0.164 0.000 0.202 209 R C 0.607 176.967 176.300 0.100 0.000 1.029 209 R CA 0.586 56.753 56.100 0.111 0.000 1.018 209 R CB 0.192 30.551 30.300 0.098 0.000 0.888 209 R HN 0.357 nan 8.270 nan 0.000 0.471 210 R N -0.925 119.650 120.500 0.126 0.000 2.664 210 R HA 0.288 4.727 4.340 0.164 0.000 0.260 210 R C -2.095 174.273 176.300 0.114 0.000 1.062 210 R CA -0.661 55.507 56.100 0.113 0.000 0.902 210 R CB 1.918 32.289 30.300 0.118 0.000 1.258 210 R HN -0.038 nan 8.270 nan 0.000 0.465 211 V N 3.417 123.387 119.914 0.093 0.000 2.808 211 V HA 0.529 4.747 4.120 0.164 0.000 0.308 211 V C -0.595 175.548 176.094 0.082 0.000 1.099 211 V CA -0.850 61.482 62.300 0.053 0.000 0.920 211 V CB 1.970 33.810 31.823 0.028 0.000 1.014 211 V HN 0.690 nan 8.190 nan 0.000 0.425 212 R N 2.872 123.427 120.500 0.092 0.000 2.486 212 R HA 0.825 5.264 4.340 0.164 0.000 0.286 212 R C -1.490 174.825 176.300 0.026 0.000 0.999 212 R CA -0.349 55.824 56.100 0.122 0.000 0.993 212 R CB 1.802 32.249 30.300 0.245 0.000 1.084 212 R HN 0.590 nan 8.270 nan 0.000 0.487 213 V N 1.374 121.271 119.914 -0.028 0.000 2.498 213 V HA 0.312 4.530 4.120 0.164 0.000 0.283 213 V C -0.721 175.096 176.094 -0.462 0.000 1.015 213 V CA -0.973 61.168 62.300 -0.265 0.000 0.867 213 V CB 1.246 32.908 31.823 -0.268 0.000 1.025 213 V HN 0.799 nan 8.190 nan 0.000 0.441 214 E N 3.487 123.470 120.200 -0.362 0.000 2.289 214 E HA 0.534 4.983 4.350 0.164 0.000 0.278 214 E C -1.291 175.040 176.600 -0.449 0.000 1.032 214 E CA -0.143 56.106 56.400 -0.251 0.000 0.854 214 E CB 1.321 30.978 29.700 -0.072 0.000 1.046 214 E HN 0.710 nan 8.360 nan 0.000 0.409 347 V N 3.994 123.925 119.914 0.028 0.000 2.364 347 V HA 0.200 4.418 4.120 0.164 0.000 0.272 347 V C 0.210 176.278 176.094 -0.043 0.000 1.036 347 V CA -0.449 61.851 62.300 -0.001 0.000 0.880 347 V CB 1.474 33.323 31.823 0.044 0.000 0.991 347 V HN 0.508 nan 8.190 nan 0.000 0.460 348 Q N 5.704 125.415 119.800 -0.149 0.000 2.318 348 Q HA 0.298 4.736 4.340 0.164 0.000 0.222 348 Q C -1.433 174.411 176.000 -0.261 0.000 1.003 348 Q CA -1.970 53.696 55.803 -0.228 0.000 0.936 348 Q CB 0.691 29.198 28.738 -0.386 0.000 1.204 348 Q HN 0.323 nan 8.270 nan 0.000 0.524 349 P HA -0.199 nan 4.420 nan 0.000 0.218 349 P C 0.705 177.971 177.300 -0.055 0.000 1.152 349 P CA 1.719 64.757 63.100 -0.104 0.000 0.857 349 P CB 0.049 31.743 31.700 -0.011 0.000 0.787 350 H N -3.728 115.336 119.070 -0.010 0.000 2.548 350 H HA 0.266 4.921 4.556 0.164 0.000 0.265 350 H C 0.667 176.013 175.328 0.030 0.000 0.969 350 H CA 0.024 56.075 56.048 0.006 0.000 1.155 350 H CB -0.691 29.073 29.762 0.003 0.000 1.394 350 H HN 0.146 nan 8.280 nan 0.000 0.570 351 M N 2.145 121.645 119.600 -0.167 0.000 2.255 351 M HA 0.181 4.760 4.480 0.164 0.000 0.336 351 M C -0.215 176.103 176.300 0.031 0.000 1.135 351 M CA 0.250 55.511 55.300 -0.066 0.000 1.145 351 M CB 0.853 33.386 32.600 -0.112 0.000 1.473 351 M HN 0.087 nan 8.290 nan 0.000 0.462 352 N N 1.206 119.934 118.700 0.046 0.000 2.500 352 N HA 0.300 5.139 4.740 0.164 0.000 0.291 352 N C -1.505 174.033 175.510 0.047 0.000 1.092 352 N CA -0.490 52.596 53.050 0.061 0.000 0.890 352 N CB 1.760 40.285 38.487 0.063 0.000 1.466 352 N HN 0.558 nan 8.380 nan 0.000 0.507 353 V N 0.575 120.518 119.914 0.049 0.000 2.529 353 V HA 0.130 4.348 4.120 0.164 0.000 0.292 353 V C 1.064 177.174 176.094 0.027 0.000 1.028 353 V CA -0.087 62.237 62.300 0.041 0.000 1.074 353 V CB 0.634 32.492 31.823 0.059 0.000 0.958 353 V HN 0.372 nan 8.190 nan 0.000 0.481 354 V N 4.569 124.494 119.914 0.020 0.000 2.992 354 V HA 0.038 4.257 4.120 0.164 0.000 0.250 354 V C 1.040 177.135 176.094 0.000 0.000 1.090 354 V CA 0.705 63.013 62.300 0.013 0.000 1.101 354 V CB 0.444 32.276 31.823 0.014 0.000 0.743 354 V HN 0.756 nan 8.190 nan 0.000 0.468 355 V N 3.328 123.239 119.914 -0.006 0.000 2.546 355 V HA 0.243 4.462 4.120 0.164 0.000 0.284 355 V C -1.124 174.946 176.094 -0.040 0.000 1.050 355 V CA -1.154 61.130 62.300 -0.028 0.000 0.981 355 V CB 1.209 33.010 31.823 -0.036 0.000 0.990 355 V HN 0.319 nan 8.190 nan 0.000 0.474 356 P HA 0.211 nan 4.420 nan 0.000 0.343 356 P C -0.451 176.780 177.300 -0.116 0.000 1.358 356 P CA -0.587 62.468 63.100 -0.076 0.000 0.802 356 P CB 0.588 32.237 31.700 -0.085 0.000 1.886 357 E N -0.200 119.922 120.200 -0.130 0.000 2.159 357 E HA 0.295 4.743 4.350 0.164 0.000 0.272 357 E C 0.696 177.181 176.600 -0.191 0.000 1.138 357 E CA 0.047 56.347 56.400 -0.166 0.000 0.915 357 E CB -0.869 28.746 29.700 -0.141 0.000 1.028 357 E HN 0.705 nan 8.360 nan 0.000 0.423 358 G N 3.266 111.909 108.800 -0.262 0.000 2.416 358 G HA2 -0.315 3.743 3.960 0.164 0.000 0.301 358 G HA3 -0.315 3.743 3.960 0.164 0.000 0.301 358 G C 0.413 175.169 174.900 -0.240 0.000 0.985 358 G CA 0.247 45.141 45.100 -0.344 0.000 0.934 358 G HN 0.723 nan 8.290 nan 0.000 0.513 359 A N -0.321 122.390 122.820 -0.183 0.000 2.462 359 A HA 0.613 5.032 4.320 0.164 0.000 0.243 359 A C 0.991 178.503 177.584 -0.120 0.000 1.076 359 A CA -0.022 51.936 52.037 -0.132 0.000 0.773 359 A CB 0.314 19.252 19.000 -0.103 0.000 1.010 359 A HN 0.633 nan 8.150 nan 0.000 0.493 360 R N 0.752 121.196 120.500 -0.093 0.000 2.590 360 R HA 0.374 4.812 4.340 0.164 0.000 0.274 360 R C -0.497 175.772 176.300 -0.051 0.000 1.061 360 R CA 0.173 56.229 56.100 -0.072 0.000 1.081 360 R CB 0.573 30.840 30.300 -0.054 0.000 0.984 360 R HN 0.489 nan 8.270 nan 0.000 0.448 361 V N 2.520 122.413 119.914 -0.035 0.000 3.074 361 V HA 0.383 4.602 4.120 0.164 0.000 0.314 361 V C -0.687 175.421 176.094 0.022 0.000 1.117 361 V CA -0.693 61.605 62.300 -0.003 0.000 1.014 361 V CB 2.345 34.175 31.823 0.013 0.000 1.057 361 V HN 0.718 nan 8.190 nan 0.000 0.438 362 E N 0.861 121.080 120.200 0.031 0.000 2.336 362 E HA 0.599 5.048 4.350 0.164 0.000 0.267 362 E C 0.616 177.241 176.600 0.041 0.000 0.906 362 E CA -0.206 56.214 56.400 0.034 0.000 0.781 362 E CB 1.960 31.671 29.700 0.017 0.000 1.261 362 E HN 0.626 nan 8.360 nan 0.000 0.436 363 A N 1.400 124.239 122.820 0.032 0.000 1.902 363 A HA -0.043 4.376 4.320 0.164 0.000 0.217 363 A C 1.354 178.947 177.584 0.014 0.000 1.181 363 A CA 1.765 53.814 52.037 0.021 0.000 0.623 363 A CB -0.672 18.331 19.000 0.006 0.000 0.818 363 A HN 0.473 nan 8.150 nan 0.000 0.443 364 G N -0.030 108.777 108.800 0.012 0.000 3.343 364 G HA2 0.430 4.489 3.960 0.164 0.000 0.264 364 G HA3 0.430 4.489 3.960 0.164 0.000 0.264 364 G C -0.941 173.967 174.900 0.013 0.000 0.884 364 G CA 0.137 45.243 45.100 0.010 0.000 1.916 364 G HN 0.204 nan 8.290 nan 0.000 0.618 365 D N 0.584 120.994 120.400 0.018 0.000 2.613 365 D HA 0.148 4.886 4.640 0.164 0.000 0.230 365 D C -0.375 175.939 176.300 0.023 0.000 1.365 365 D CA -0.597 53.414 54.000 0.018 0.000 0.976 365 D CB 1.317 42.128 40.800 0.018 0.000 1.415 365 D HN 0.160 nan 8.370 nan 0.000 0.589 366 K N 3.603 124.015 120.400 0.020 0.000 2.412 366 K HA 0.257 4.676 4.320 0.164 0.000 0.281 366 K C 0.976 177.590 176.600 0.023 0.000 1.027 366 K CA -0.099 56.202 56.287 0.023 0.000 0.989 366 K CB 0.752 33.265 32.500 0.021 0.000 0.935 366 K HN 0.420 nan 8.250 nan 0.000 0.475 367 I N 2.872 123.459 120.570 0.029 0.000 2.490 367 I HA -0.019 4.249 4.170 0.164 0.000 0.234 367 I C 0.187 176.318 176.117 0.025 0.000 1.066 367 I CA 0.137 61.452 61.300 0.025 0.000 1.405 367 I CB 0.174 38.194 38.000 0.034 0.000 1.191 367 I HN 0.263 nan 8.210 nan 0.000 0.433 368 V N 0.570 120.502 119.914 0.031 0.000 2.715 368 V HA 0.790 5.008 4.120 0.164 0.000 0.310 368 V C -0.191 175.924 176.094 0.034 0.000 1.054 368 V CA -0.639 61.681 62.300 0.033 0.000 0.928 368 V CB 1.605 33.450 31.823 0.035 0.000 1.007 368 V HN 0.379 nan 8.190 nan 0.000 0.437 369 A N 2.172 125.014 122.820 0.036 0.000 2.483 369 A HA 1.103 5.521 4.320 0.164 0.000 0.286 369 A C -0.346 177.269 177.584 0.052 0.000 1.207 369 A CA 0.007 52.069 52.037 0.042 0.000 0.764 369 A CB 1.943 20.968 19.000 0.041 0.000 1.341 369 A HN 1.774 nan 8.150 nan 0.000 0.428 370 A N -1.305 121.560 122.820 0.075 0.000 3.251 370 A HA 0.591 5.010 4.320 0.164 0.000 0.303 370 A C 0.730 178.391 177.584 0.129 0.000 1.144 370 A CA 0.135 52.247 52.037 0.125 0.000 0.606 370 A CB -0.846 18.261 19.000 0.177 0.000 1.494 370 A HN 1.565 nan 8.150 nan 0.000 0.653 371 I N -1.310 119.364 120.570 0.173 0.000 2.193 371 I HA 0.042 4.311 4.170 0.164 0.000 0.240 371 I C 0.459 176.605 176.117 0.048 0.000 1.084 371 I CA 1.178 62.519 61.300 0.069 0.000 1.365 371 I CB -0.737 37.250 38.000 -0.022 0.000 1.064 371 I HN 0.551 nan 8.210 nan 0.000 0.410 372 D N 3.761 124.201 120.400 0.066 0.000 2.346 372 D HA 0.037 4.775 4.640 0.164 0.000 0.267 372 D C -1.597 174.733 176.300 0.050 0.000 1.320 372 D CA -1.516 52.512 54.000 0.046 0.000 0.951 372 D CB 0.587 41.419 40.800 0.055 0.000 1.079 372 D HN 0.310 nan 8.370 nan 0.000 0.509 373 P HA -0.193 nan 4.420 nan 0.000 0.220 373 P C 0.523 177.840 177.300 0.030 0.000 1.144 373 P CA 0.981 64.100 63.100 0.031 0.000 0.800 373 P CB 0.282 31.995 31.700 0.022 0.000 0.772 374 E N 1.694 121.911 120.200 0.029 0.000 2.324 374 E HA 0.015 4.463 4.350 0.164 0.000 0.271 374 E C 0.030 176.651 176.600 0.034 0.000 1.028 374 E CA -0.300 56.115 56.400 0.026 0.000 0.890 374 E CB -0.483 29.231 29.700 0.022 0.000 1.004 374 E HN 0.087 nan 8.360 nan 0.000 0.431 375 E N 2.939 123.155 120.200 0.027 0.000 2.369 375 E HA -0.275 4.173 4.350 0.164 0.000 0.165 375 E C -1.176 175.445 176.600 0.036 0.000 1.622 375 E CA 0.711 57.128 56.400 0.029 0.000 0.660 375 E CB -0.639 29.078 29.700 0.029 0.000 1.085 375 E HN 0.655 nan 8.360 nan 0.000 0.346 376 E N 0.766 120.986 120.200 0.034 0.000 2.256 376 E HA 0.309 4.758 4.350 0.164 0.000 0.267 376 E C -0.208 176.412 176.600 0.033 0.000 0.892 376 E CA -0.946 55.476 56.400 0.037 0.000 0.775 376 E CB 1.959 31.683 29.700 0.040 0.000 1.207 376 E HN 0.136 nan 8.360 nan 0.000 0.420 377 V N 3.600 123.535 119.914 0.035 0.000 2.699 377 V HA -0.146 4.073 4.120 0.164 0.000 0.296 377 V C 0.140 176.256 176.094 0.038 0.000 1.030 377 V CA 1.279 63.603 62.300 0.040 0.000 1.219 377 V CB -1.050 30.799 31.823 0.043 0.000 0.848 377 V HN 0.508 nan 8.190 nan 0.000 0.468 378 I N 4.743 125.335 120.570 0.036 0.000 2.410 378 I HA 0.577 4.846 4.170 0.164 0.000 0.286 378 I C 0.706 176.844 176.117 0.036 0.000 1.009 378 I CA -0.442 60.875 61.300 0.028 0.000 1.111 378 I CB 1.627 39.634 38.000 0.012 0.000 1.262 378 I HN 0.707 nan 8.210 nan 0.000 0.443 379 A N 5.928 128.777 122.820 0.048 0.000 2.455 379 A HA 0.373 4.791 4.320 0.164 0.000 0.244 379 A C 0.104 177.710 177.584 0.036 0.000 1.099 379 A CA 0.514 52.597 52.037 0.078 0.000 0.786 379 A CB 0.458 19.499 19.000 0.068 0.000 1.051 379 A HN 0.838 nan 8.150 nan 0.000 0.508 380 E N -1.590 118.648 120.200 0.063 0.000 2.233 380 E HA 0.528 4.977 4.350 0.164 0.000 0.223 380 E C -0.655 175.966 176.600 0.036 0.000 1.048 380 E CA -0.617 55.754 56.400 -0.048 0.000 0.883 380 E CB 1.182 30.696 29.700 -0.309 0.000 1.925 380 E HN 0.874 nan 8.360 nan 0.000 0.460 381 A N 1.606 124.416 122.820 -0.017 0.000 2.507 381 A HA 0.069 4.488 4.320 0.164 0.000 0.281 381 A C -0.322 177.378 177.584 0.192 0.000 1.154 381 A CA 0.676 52.749 52.037 0.060 0.000 0.828 381 A CB -1.086 17.924 19.000 0.016 0.000 1.069 381 A HN 0.544 nan 8.150 nan 0.000 0.522 382 E N 0.854 121.143 120.200 0.148 0.000 2.452 382 E HA -0.181 4.267 4.350 0.164 0.000 0.155 382 E C 0.557 177.249 176.600 0.154 0.000 1.746 382 E CA 0.583 57.057 56.400 0.123 0.000 0.636 382 E CB -1.301 28.444 29.700 0.075 0.000 1.069 382 E HN 0.944 nan 8.360 nan 0.000 0.335 383 G N 0.608 109.484 108.800 0.127 0.000 2.410 383 G HA2 0.590 4.648 3.960 0.164 0.000 0.330 383 G HA3 0.590 4.648 3.960 0.164 0.000 0.330 383 G C -0.259 174.512 174.900 -0.214 0.000 1.142 383 G CA -0.485 44.490 45.100 -0.209 0.000 0.902 383 G HN 0.169 nan 8.290 nan 0.000 0.491 384 V N 0.147 119.866 119.914 -0.324 0.000 3.113 384 V HA 0.614 4.833 4.120 0.164 0.000 0.316 384 V C -0.297 175.619 176.094 -0.295 0.000 1.125 384 V CA -0.608 61.539 62.300 -0.255 0.000 1.026 384 V CB 2.333 34.024 31.823 -0.221 0.000 1.080 384 V HN 0.564 nan 8.190 nan 0.000 0.444 385 V N 1.948 121.656 119.914 -0.342 0.000 2.555 385 V HA 0.580 4.798 4.120 0.164 0.000 0.302 385 V C -0.831 174.942 176.094 -0.534 0.000 1.038 385 V CA -0.560 61.543 62.300 -0.329 0.000 0.887 385 V CB 1.554 33.240 31.823 -0.228 0.000 0.991 385 V HN 0.859 nan 8.190 nan 0.000 0.434 386 H N 4.490 123.426 119.070 -0.222 0.000 3.021 386 H HA 0.373 5.027 4.556 0.164 0.000 0.293 386 H C -1.074 173.906 175.328 -0.580 0.000 1.244 386 H CA -0.642 55.186 56.048 -0.366 0.000 1.596 386 H CB 1.499 31.116 29.762 -0.241 0.000 1.720 386 H HN 0.438 nan 8.280 nan 0.000 0.537 387 L N 2.918 123.882 121.223 -0.432 0.000 2.380 387 L HA 0.159 4.598 4.340 0.164 0.000 0.273 387 L C 1.373 177.920 176.870 -0.538 0.000 1.138 387 L CA 0.257 54.862 54.840 -0.392 0.000 0.832 387 L CB 0.423 42.229 42.059 -0.423 0.000 1.124 387 L HN 0.547 nan 8.230 nan 0.000 0.454 388 H N 0.269 119.331 119.070 -0.014 0.000 3.400 388 H HA 0.250 4.905 4.556 0.164 0.000 0.251 388 H C -0.242 175.119 175.328 0.055 0.000 1.040 388 H CA 0.058 56.107 56.048 0.002 0.000 1.175 388 H CB 1.025 30.789 29.762 0.004 0.000 1.487 388 H HN 0.625 nan 8.280 nan 0.000 0.505 389 E N 2.385 122.714 120.200 0.215 0.000 2.400 389 E HA 0.255 4.704 4.350 0.164 0.000 0.232 389 E C -2.688 174.065 176.600 0.255 0.000 0.988 389 E CA -1.765 54.756 56.400 0.201 0.000 0.823 389 E CB 1.731 31.522 29.700 0.151 0.000 1.246 389 E HN 0.186 nan 8.360 nan 0.000 0.441 390 P HA 0.101 nan 4.420 nan 0.000 0.284 390 P C 0.306 177.714 177.300 0.179 0.000 1.253 390 P CA 0.018 63.299 63.100 0.303 0.000 0.800 390 P CB 1.461 33.420 31.700 0.430 0.000 0.961 391 A N 2.505 125.420 122.820 0.157 0.000 1.898 391 A HA 0.043 4.462 4.320 0.164 0.000 0.216 391 A C 0.562 178.215 177.584 0.116 0.000 1.181 391 A CA 1.664 53.777 52.037 0.127 0.000 0.620 391 A CB -0.575 18.504 19.000 0.131 0.000 0.819 391 A HN 0.614 nan 8.150 nan 0.000 0.442 392 S N -2.523 113.252 115.700 0.124 0.000 2.611 392 S HA 0.638 5.207 4.470 0.164 0.000 0.268 392 S C -1.424 173.246 174.600 0.116 0.000 1.156 392 S CA -0.705 57.567 58.200 0.119 0.000 0.817 392 S CB 0.935 64.202 63.200 0.111 0.000 1.122 392 S HN 0.165 nan 8.310 nan 0.000 0.466 393 I N 1.302 121.947 120.570 0.124 0.000 2.466 393 I HA 0.450 4.718 4.170 0.164 0.000 0.289 393 I C -1.090 175.102 176.117 0.124 0.000 1.026 393 I CA -0.559 60.803 61.300 0.103 0.000 1.078 393 I CB 1.660 39.698 38.000 0.063 0.000 1.249 393 I HN 0.671 nan 8.210 nan 0.000 0.429 394 L N 5.644 126.929 121.223 0.103 0.000 2.280 394 L HA 0.760 5.199 4.340 0.164 0.000 0.287 394 L C -0.450 176.477 176.870 0.094 0.000 1.023 394 L CA -0.963 53.956 54.840 0.133 0.000 0.819 394 L CB 0.981 43.099 42.059 0.099 0.000 1.212 394 L HN 0.146 nan 8.230 nan 0.000 0.420 395 V N 3.871 123.854 119.914 0.116 0.000 2.546 395 V HA 0.423 4.641 4.120 0.164 0.000 0.284 395 V C 0.435 176.582 176.094 0.088 0.000 1.050 395 V CA -0.550 61.781 62.300 0.051 0.000 0.981 395 V CB 1.613 33.415 31.823 -0.034 0.000 0.990 395 V HN 0.654 nan 8.190 nan 0.000 0.474 396 V N 2.400 122.351 119.914 0.062 0.000 2.555 396 V HA 0.563 4.782 4.120 0.164 0.000 0.302 396 V C -0.018 176.116 176.094 0.067 0.000 1.038 396 V CA -1.032 61.309 62.300 0.069 0.000 0.887 396 V CB 1.554 33.415 31.823 0.064 0.000 0.991 396 V HN 0.845 nan 8.190 nan 0.000 0.434 397 K N 3.571 124.016 120.400 0.075 0.000 2.243 397 K HA 0.646 5.064 4.320 0.164 0.000 0.232 397 K C -0.045 176.605 176.600 0.084 0.000 1.237 397 K CA 0.442 56.774 56.287 0.075 0.000 1.161 397 K CB -0.425 32.122 32.500 0.079 0.000 1.505 397 K HN 1.114 nan 8.250 nan 0.000 0.271 398 A N 2.528 125.397 122.820 0.081 0.000 2.532 398 A HA 0.701 5.119 4.320 0.164 0.000 0.290 398 A C -1.037 176.605 177.584 0.097 0.000 1.143 398 A CA -1.053 51.047 52.037 0.105 0.000 0.728 398 A CB 1.214 20.280 19.000 0.111 0.000 1.317 398 A HN 0.424 nan 8.150 nan 0.000 0.414 399 R N -0.423 120.167 120.500 0.150 0.000 2.674 399 R HA 0.627 5.066 4.340 0.164 0.000 0.266 399 R C -1.007 175.337 176.300 0.073 0.000 1.016 399 R CA -0.789 55.352 56.100 0.068 0.000 1.062 399 R CB 1.539 31.883 30.300 0.072 0.000 1.142 399 R HN 0.576 nan 8.270 nan 0.000 0.517 400 V N 2.771 122.591 119.914 -0.157 0.000 2.384 400 V HA 0.404 4.623 4.120 0.164 0.000 0.287 400 V C -1.522 174.416 176.094 -0.260 0.000 1.020 400 V CA -0.574 61.681 62.300 -0.075 0.000 0.850 400 V CB 0.818 32.603 31.823 -0.062 0.000 0.987 400 V HN 0.553 nan 8.190 nan 0.000 0.436 401 Y N 7.102 127.431 120.300 0.048 0.000 2.686 401 Y HA 0.524 5.172 4.550 0.164 0.000 0.331 401 Y C -2.319 173.641 175.900 0.101 0.000 0.996 401 Y CA -3.300 54.837 58.100 0.063 0.000 1.293 401 Y CB 1.010 39.510 38.460 0.066 0.000 1.092 401 Y HN 0.529 nan 8.280 nan 0.000 0.524 402 P HA 0.125 nan 4.420 nan 0.000 0.269 402 P C -0.758 176.626 177.300 0.139 0.000 1.209 402 P CA -0.013 63.115 63.100 0.046 0.000 0.776 402 P CB 0.451 32.128 31.700 -0.038 0.000 0.876 403 F N -0.803 119.168 119.950 0.036 0.000 2.563 403 F HA 0.563 5.188 4.527 0.164 0.000 0.316 403 F C 0.716 176.524 175.800 0.013 0.000 1.076 403 F CA -0.923 57.094 58.000 0.028 0.000 0.921 403 F CB 1.459 40.475 39.000 0.027 0.000 1.209 403 F HN 0.268 nan 8.300 nan 0.000 0.462 404 E N 0.994 121.317 120.200 0.204 0.000 2.251 404 E HA 0.047 4.496 4.350 0.164 0.000 0.194 404 E C -0.195 176.505 176.600 0.167 0.000 0.964 404 E CA 1.005 57.466 56.400 0.100 0.000 0.868 404 E CB 0.197 29.932 29.700 0.059 0.000 0.828 404 E HN 0.767 nan 8.360 nan 0.000 0.481 405 D N 0.605 121.146 120.400 0.235 0.000 3.136 405 D HA -0.008 4.730 4.640 0.164 0.000 0.254 405 D C 0.606 177.003 176.300 0.162 0.000 1.563 405 D CA 0.503 54.602 54.000 0.165 0.000 1.225 405 D CB 0.194 41.044 40.800 0.084 0.000 1.079 405 D HN 0.050 nan 8.370 nan 0.000 0.314 406 D N 0.028 120.458 120.400 0.050 0.000 2.577 406 D HA 0.505 5.244 4.640 0.164 0.000 0.248 406 D C -0.210 175.900 176.300 -0.317 0.000 1.181 406 D CA -0.572 53.381 54.000 -0.078 0.000 1.083 406 D CB 1.143 41.909 40.800 -0.057 0.000 1.198 406 D HN 0.148 nan 8.370 nan 0.000 0.626 407 V N -1.402 118.344 119.914 -0.280 0.000 3.089 407 V HA 0.401 4.619 4.120 0.164 0.000 0.312 407 V C -1.369 174.604 176.094 -0.203 0.000 1.433 407 V CA -0.446 61.638 62.300 -0.359 0.000 1.025 407 V CB 1.777 33.339 31.823 -0.434 0.000 1.077 407 V HN 0.688 nan 8.190 nan 0.000 0.478 408 E N -0.946 119.144 120.200 -0.182 0.000 2.586 408 E HA 0.513 4.961 4.350 0.164 0.000 0.232 408 E C 0.853 177.399 176.600 -0.091 0.000 0.854 408 E CA 0.474 56.803 56.400 -0.119 0.000 0.938 408 E CB 0.977 30.609 29.700 -0.113 0.000 1.518 408 E HN 0.340 nan 8.360 nan 0.000 0.400 409 V N -0.241 119.632 119.914 -0.068 0.000 2.220 409 V HA -0.151 4.067 4.120 0.164 0.000 0.250 409 V C 1.295 177.359 176.094 -0.050 0.000 1.053 409 V CA 2.305 64.574 62.300 -0.051 0.000 1.019 409 V CB -0.678 31.122 31.823 -0.039 0.000 0.646 409 V HN 0.554 nan 8.190 nan 0.000 0.455 410 S N -3.535 112.136 115.700 -0.049 0.000 2.663 410 S HA 0.227 4.796 4.470 0.164 0.000 0.264 410 S C -0.784 173.796 174.600 -0.034 0.000 1.112 410 S CA -0.220 57.955 58.200 -0.041 0.000 0.823 410 S CB 1.404 64.585 63.200 -0.031 0.000 1.111 410 S HN 0.351 nan 8.310 nan 0.000 0.476 411 T N 2.068 116.607 114.554 -0.025 0.000 2.727 411 T HA 0.549 4.998 4.350 0.164 0.000 0.295 411 T C 1.122 175.812 174.700 -0.016 0.000 0.915 411 T CA 0.834 62.925 62.100 -0.015 0.000 1.066 411 T CB 0.321 69.186 68.868 -0.005 0.000 0.891 411 T HN 1.502 nan 8.240 nan 0.000 0.516 412 G N 3.652 112.442 108.800 -0.016 0.000 2.421 412 G HA2 -0.149 3.909 3.960 0.164 0.000 0.188 412 G HA3 -0.149 3.909 3.960 0.164 0.000 0.188 412 G C -0.101 174.781 174.900 -0.029 0.000 1.001 412 G CA -0.549 44.536 45.100 -0.024 0.000 0.693 412 G HN 0.648 nan 8.290 nan 0.000 0.479 413 D N 0.608 120.995 120.400 -0.022 0.000 2.360 413 D HA 0.647 5.385 4.640 0.164 0.000 0.242 413 D C 0.848 177.153 176.300 0.007 0.000 1.184 413 D CA -0.063 53.927 54.000 -0.017 0.000 0.930 413 D CB 0.537 41.328 40.800 -0.016 0.000 1.161 413 D HN 0.210 nan 8.370 nan 0.000 0.447 414 R N 0.290 120.804 120.500 0.023 0.000 2.486 414 R HA 0.708 5.146 4.340 0.164 0.000 0.286 414 R C -0.896 175.563 176.300 0.265 0.000 0.999 414 R CA -0.634 55.543 56.100 0.128 0.000 0.993 414 R CB 1.460 31.711 30.300 -0.083 0.000 1.084 414 R HN 0.144 nan 8.270 nan 0.000 0.487 415 V N 0.589 120.739 119.914 0.393 0.000 3.078 415 V HA 0.868 5.086 4.120 0.164 0.000 0.311 415 V C -0.648 175.325 176.094 -0.200 0.000 1.138 415 V CA -0.927 61.435 62.300 0.104 0.000 1.007 415 V CB 2.144 33.942 31.823 -0.042 0.000 1.045 415 V HN 0.901 nan 8.190 nan 0.000 0.432 416 A N 2.890 125.458 122.820 -0.420 0.000 2.437 416 A HA 0.999 5.417 4.320 0.164 0.000 0.292 416 A C -3.042 174.179 177.584 -0.606 0.000 1.173 416 A CA -2.131 49.358 52.037 -0.914 0.000 0.785 416 A CB 1.766 20.186 19.000 -0.968 0.000 1.351 416 A HN 0.615 nan 8.150 nan 0.000 0.431 417 P HA 0.356 nan 4.420 nan 0.000 0.271 417 P C 0.837 178.002 177.300 -0.225 0.000 1.233 417 P CA 1.970 64.875 63.100 -0.325 0.000 0.764 417 P CB 0.774 32.323 31.700 -0.252 0.000 0.825 418 G N 3.212 111.919 108.800 -0.154 0.000 2.491 418 G HA2 -0.181 3.877 3.960 0.164 0.000 0.203 418 G HA3 -0.181 3.877 3.960 0.164 0.000 0.203 418 G C -0.238 174.598 174.900 -0.107 0.000 1.052 418 G CA -0.518 44.518 45.100 -0.107 0.000 0.675 418 G HN 0.502 nan 8.290 nan 0.000 0.504 419 D N 1.595 121.911 120.400 -0.139 0.000 2.583 419 D HA 0.368 5.107 4.640 0.164 0.000 0.232 419 D C 0.931 177.162 176.300 -0.115 0.000 1.128 419 D CA 0.229 54.158 54.000 -0.117 0.000 0.859 419 D CB 1.288 42.013 40.800 -0.125 0.000 1.169 419 D HN 0.334 nan 8.370 nan 0.000 0.481 420 V N 3.562 123.424 119.914 -0.088 0.000 2.673 420 V HA -0.041 4.178 4.120 0.164 0.000 0.303 420 V C 1.299 177.328 176.094 -0.108 0.000 1.046 420 V CA 0.446 62.696 62.300 -0.083 0.000 1.126 420 V CB 0.699 32.485 31.823 -0.062 0.000 0.934 420 V HN 0.517 nan 8.190 nan 0.000 0.487 421 L N 3.753 124.905 121.223 -0.118 0.000 2.519 421 L HA 0.595 5.034 4.340 0.164 0.000 0.194 421 L C 0.804 177.580 176.870 -0.158 0.000 1.072 421 L CA 1.002 55.753 54.840 -0.147 0.000 0.845 421 L CB 0.055 42.008 42.059 -0.177 0.000 1.138 421 L HN 0.758 nan 8.230 nan 0.000 0.487 422 A N -1.254 121.495 122.820 -0.119 0.000 2.529 422 A HA 0.497 4.915 4.320 0.164 0.000 0.296 422 A C -1.286 176.270 177.584 -0.046 0.000 1.205 422 A CA -0.313 51.631 52.037 -0.156 0.000 0.671 422 A CB 0.480 19.298 19.000 -0.303 0.000 1.301 422 A HN 0.281 nan 8.150 nan 0.000 0.450 423 D N -0.052 120.334 120.400 -0.022 0.000 2.704 423 D HA 0.126 4.864 4.640 0.164 0.000 0.232 423 D C 1.043 177.346 176.300 0.005 0.000 1.183 423 D CA 2.862 56.878 54.000 0.027 0.000 0.647 423 D CB -1.535 39.310 40.800 0.076 0.000 1.013 423 D HN 2.174 nan 8.370 nan 0.000 0.415 424 G N 0.023 108.813 108.800 -0.017 0.000 2.574 424 G HA2 -0.176 3.882 3.960 0.164 0.000 0.286 424 G HA3 -0.176 3.882 3.960 0.164 0.000 0.286 424 G C 1.013 175.902 174.900 -0.018 0.000 1.212 424 G CA 0.453 45.543 45.100 -0.017 0.000 0.979 424 G HN 1.173 nan 8.290 nan 0.000 0.557 425 G N 0.013 108.806 108.800 -0.011 0.000 3.518 425 G HA2 0.429 4.488 3.960 0.164 0.000 0.273 425 G HA3 0.429 4.488 3.960 0.164 0.000 0.273 425 G C 1.067 175.967 174.900 -0.000 0.000 1.199 425 G CA 1.250 46.342 45.100 -0.012 0.000 0.899 425 G HN 0.662 nan 8.290 nan 0.000 0.533 426 K N -0.219 120.187 120.400 0.011 0.000 2.017 426 K HA 0.078 4.496 4.320 0.164 0.000 0.207 426 K C 0.479 177.105 176.600 0.042 0.000 1.035 426 K CA 0.520 56.823 56.287 0.027 0.000 0.947 426 K CB -0.045 32.477 32.500 0.036 0.000 0.749 426 K HN 0.070 nan 8.250 nan 0.000 0.443 427 V N 3.895 123.844 119.914 0.058 0.000 2.372 427 V HA 0.106 4.325 4.120 0.164 0.000 0.261 427 V C -0.261 175.857 176.094 0.041 0.000 1.055 427 V CA 0.086 62.443 62.300 0.095 0.000 0.930 427 V CB 0.665 32.580 31.823 0.153 0.000 1.031 427 V HN 0.247 nan 8.190 nan 0.000 0.479 428 K N 2.719 123.147 120.400 0.046 0.000 2.221 428 K HA 0.572 4.991 4.320 0.164 0.000 0.243 428 K C 0.035 176.590 176.600 -0.075 0.000 0.968 428 K CA -0.540 55.725 56.287 -0.037 0.000 0.846 428 K CB 2.073 34.558 32.500 -0.025 0.000 1.141 428 K HN 0.559 nan 8.250 nan 0.000 0.434 429 S N 0.239 115.790 115.700 -0.248 0.000 2.593 429 S HA 0.059 4.627 4.470 0.164 0.000 0.269 429 S C -0.004 174.567 174.600 -0.049 0.000 1.334 429 S CA -0.201 57.767 58.200 -0.387 0.000 1.015 429 S CB 0.377 63.335 63.200 -0.402 0.000 0.912 429 S HN 0.563 nan 8.310 nan 0.000 0.541 430 D N 0.833 121.309 120.400 0.126 0.000 2.479 430 D HA 0.226 4.964 4.640 0.164 0.000 0.221 430 D C -0.142 176.181 176.300 0.039 0.000 1.104 430 D CA 0.422 54.490 54.000 0.114 0.000 0.849 430 D CB 0.717 41.632 40.800 0.191 0.000 1.072 430 D HN 0.293 nan 8.370 nan 0.000 0.502 431 V N 0.496 120.434 119.914 0.039 0.000 3.141 431 V HA 0.300 4.519 4.120 0.164 0.000 0.312 431 V C -0.977 175.087 176.094 -0.051 0.000 1.157 431 V CA -1.034 61.291 62.300 0.042 0.000 1.041 431 V CB 1.910 33.812 31.823 0.131 0.000 1.071 431 V HN -0.093 nan 8.190 nan 0.000 0.441 432 Y N 1.134 121.369 120.300 -0.109 0.000 2.377 432 Y HA 0.630 5.279 4.550 0.164 0.000 0.330 432 Y C 0.872 176.788 175.900 0.026 0.000 1.108 432 Y CA 1.076 59.029 58.100 -0.245 0.000 1.308 432 Y CB 1.095 39.319 38.460 -0.392 0.000 1.216 432 Y HN 0.897 nan 8.280 nan 0.000 0.518 433 G N 2.646 111.620 108.800 0.290 0.000 2.368 433 G HA2 0.285 4.343 3.960 0.164 0.000 0.293 433 G HA3 0.285 4.343 3.960 0.164 0.000 0.293 433 G C -1.795 173.243 174.900 0.230 0.000 1.467 433 G CA -1.220 44.054 45.100 0.289 0.000 0.804 433 G HN 0.412 nan 8.290 nan 0.000 0.535 434 R N -0.473 120.117 120.500 0.149 0.000 2.615 434 R HA 0.553 4.992 4.340 0.164 0.000 0.270 434 R C -0.312 176.019 176.300 0.051 0.000 1.081 434 R CA -0.209 55.937 56.100 0.078 0.000 1.154 434 R CB 1.235 31.557 30.300 0.037 0.000 1.063 434 R HN 0.320 nan 8.270 nan 0.000 0.519 435 V N 2.643 122.570 119.914 0.023 0.000 2.472 435 V HA 0.279 4.497 4.120 0.164 0.000 0.290 435 V C -0.583 175.517 176.094 0.011 0.000 1.037 435 V CA -0.475 61.829 62.300 0.006 0.000 0.908 435 V CB 1.605 33.419 31.823 -0.016 0.000 0.985 435 V HN 0.699 nan 8.190 nan 0.000 0.454 436 E N 2.438 122.652 120.200 0.023 0.000 2.580 436 E HA 0.340 4.789 4.350 0.164 0.000 0.248 436 E C -0.862 175.765 176.600 0.045 0.000 1.018 436 E CA -0.292 56.127 56.400 0.032 0.000 0.775 436 E CB 1.768 31.494 29.700 0.044 0.000 1.378 436 E HN 0.440 nan 8.360 nan 0.000 0.401 437 V N 3.699 123.630 119.914 0.029 0.000 2.157 437 V HA 0.046 4.264 4.120 0.164 0.000 0.241 437 V C 0.010 176.155 176.094 0.085 0.000 1.349 437 V CA -0.037 62.289 62.300 0.043 0.000 1.319 437 V CB -0.447 31.366 31.823 -0.016 0.000 1.421 437 V HN 0.548 nan 8.190 nan 0.000 0.501 438 D N 3.893 124.365 120.400 0.119 0.000 2.312 438 D HA 0.265 5.004 4.640 0.164 0.000 0.252 438 D C 0.642 177.028 176.300 0.142 0.000 1.150 438 D CA -0.120 53.941 54.000 0.102 0.000 0.870 438 D CB 2.312 43.157 40.800 0.075 0.000 1.153 438 D HN 0.354 nan 8.370 nan 0.000 0.457 439 L N 2.018 123.304 121.223 0.105 0.000 2.769 439 L HA 0.075 4.513 4.340 0.164 0.000 0.240 439 L C 1.712 178.605 176.870 0.038 0.000 1.163 439 L CA -0.075 54.829 54.840 0.106 0.000 0.962 439 L CB 0.554 42.683 42.059 0.117 0.000 1.258 439 L HN 0.195 nan 8.230 nan 0.000 0.513 440 V N -0.436 119.493 119.914 0.024 0.000 3.129 440 V HA -0.044 4.174 4.120 0.164 0.000 0.259 440 V C 1.909 177.996 176.094 -0.011 0.000 1.116 440 V CA 1.296 63.599 62.300 0.005 0.000 1.127 440 V CB -0.353 31.471 31.823 0.002 0.000 0.742 440 V HN 0.458 nan 8.190 nan 0.000 0.474 441 R N -0.911 119.575 120.500 -0.023 0.000 2.531 441 R HA 0.295 4.733 4.340 0.164 0.000 0.316 441 R C 0.119 176.337 176.300 -0.136 0.000 0.955 441 R CA -0.153 55.909 56.100 -0.064 0.000 1.120 441 R CB 0.418 30.694 30.300 -0.041 0.000 1.361 441 R HN 0.309 nan 8.270 nan 0.000 0.534 442 N N 0.849 119.462 118.700 -0.146 0.000 2.696 442 N HA -0.164 4.675 4.740 0.164 0.000 0.256 442 N C -1.254 173.859 175.510 -0.661 0.000 1.031 442 N CA 1.204 54.002 53.050 -0.420 0.000 0.730 442 N CB -0.741 37.476 38.487 -0.450 0.000 0.894 442 N HN 0.122 nan 8.380 nan 0.000 0.544 443 V N -0.706 119.116 119.914 -0.154 0.000 3.178 443 V HA 0.567 4.785 4.120 0.164 0.000 0.302 443 V C -1.113 175.199 176.094 0.363 0.000 1.262 443 V CA -0.681 61.661 62.300 0.071 0.000 1.030 443 V CB 2.788 34.618 31.823 0.011 0.000 1.074 443 V HN -0.110 nan 8.190 nan 0.000 0.438 444 V N 5.997 126.148 119.914 0.394 0.000 2.326 444 V HA 0.535 4.754 4.120 0.164 0.000 0.281 444 V C 0.029 176.266 176.094 0.239 0.000 1.015 444 V CA -0.659 61.796 62.300 0.259 0.000 0.823 444 V CB 1.304 33.219 31.823 0.154 0.000 1.009 444 V HN 0.920 nan 8.190 nan 0.000 0.436 445 R N 3.653 124.262 120.500 0.183 0.000 2.297 445 R HA 0.720 5.158 4.340 0.164 0.000 0.308 445 R C -1.142 175.240 176.300 0.136 0.000 1.029 445 R CA -0.642 55.578 56.100 0.199 0.000 0.929 445 R CB 1.336 31.718 30.300 0.137 0.000 1.046 445 R HN 0.334 nan 8.270 nan 0.000 0.461 446 V N 4.572 124.584 119.914 0.163 0.000 2.294 446 V HA 0.128 4.346 4.120 0.164 0.000 0.272 446 V C 0.523 176.694 176.094 0.129 0.000 1.027 446 V CA -1.007 61.340 62.300 0.077 0.000 0.823 446 V CB 1.057 32.853 31.823 -0.046 0.000 1.030 446 V HN 0.684 nan 8.190 nan 0.000 0.457 447 V N 1.774 121.752 119.914 0.107 0.000 2.585 447 V HA 0.201 4.419 4.120 0.164 0.000 0.296 447 V C 0.877 177.049 176.094 0.130 0.000 1.035 447 V CA -0.251 62.115 62.300 0.110 0.000 1.084 447 V CB 0.455 32.331 31.823 0.088 0.000 0.953 447 V HN 0.977 nan 8.190 nan 0.000 0.483 448 E N 3.473 123.752 120.200 0.132 0.000 2.574 448 E HA 0.067 4.515 4.350 0.164 0.000 0.306 448 E C 0.032 176.729 176.600 0.161 0.000 1.166 448 E CA 0.323 56.812 56.400 0.148 0.000 1.263 448 E CB -0.422 29.354 29.700 0.126 0.000 1.078 448 E HN 1.010 nan 8.360 nan 0.000 0.481 449 S N 2.329 118.144 115.700 0.192 0.000 2.496 449 S HA 0.242 4.811 4.470 0.164 0.000 0.221 449 S C -1.000 173.765 174.600 0.275 0.000 1.260 449 S CA -0.897 57.423 58.200 0.199 0.000 1.181 449 S CB 0.280 63.559 63.200 0.133 0.000 1.136 449 S HN 0.254 nan 8.310 nan 0.000 0.467 450 Y N 2.616 123.000 120.300 0.139 0.000 2.534 450 Y HA 0.508 5.156 4.550 0.164 0.000 0.329 450 Y C 0.412 176.400 175.900 0.147 0.000 1.154 450 Y CA -0.899 57.286 58.100 0.143 0.000 1.192 450 Y CB 1.166 39.731 38.460 0.175 0.000 1.275 450 Y HN 0.815 nan 8.280 nan 0.000 0.491 451 D N 2.135 122.460 120.400 -0.125 0.000 2.363 451 D HA 0.366 5.104 4.640 0.164 0.000 0.240 451 D C -0.602 175.782 176.300 0.140 0.000 1.236 451 D CA 0.159 54.192 54.000 0.055 0.000 0.927 451 D CB 0.633 41.394 40.800 -0.065 0.000 1.150 451 D HN 0.470 nan 8.370 nan 0.000 0.458 452 I N -3.782 116.891 120.570 0.172 0.000 3.033 452 I HA 0.506 4.774 4.170 0.164 0.000 0.306 452 I C -2.022 174.146 176.117 0.085 0.000 1.473 452 I CA -0.920 60.446 61.300 0.110 0.000 0.951 452 I CB 1.549 39.622 38.000 0.122 0.000 1.338 452 I HN 0.457 nan 8.210 nan 0.000 0.518 453 D N 1.570 121.979 120.400 0.014 0.000 2.671 453 D HA 0.899 5.637 4.640 0.164 0.000 0.232 453 D C -0.828 175.414 176.300 -0.097 0.000 1.114 453 D CA 0.066 54.056 54.000 -0.016 0.000 0.858 453 D CB 2.536 43.336 40.800 0.000 0.000 1.544 453 D HN 1.068 nan 8.370 nan 0.000 0.471 454 A N 1.073 123.819 122.820 -0.123 0.000 2.581 454 A HA 0.630 5.049 4.320 0.164 0.000 0.294 454 A C -1.086 176.417 177.584 -0.134 0.000 1.035 454 A CA -0.764 51.166 52.037 -0.177 0.000 0.684 454 A CB 1.491 20.282 19.000 -0.349 0.000 1.282 454 A HN 0.408 nan 8.150 nan 0.000 0.417 455 R N -0.613 119.821 120.500 -0.109 0.000 3.076 455 R HA 0.849 5.287 4.340 0.164 0.000 0.239 455 R C -0.889 175.369 176.300 -0.070 0.000 1.392 455 R CA -0.792 55.264 56.100 -0.073 0.000 1.044 455 R CB 1.559 31.826 30.300 -0.055 0.000 1.389 455 R HN 0.859 nan 8.270 nan 0.000 0.498 456 M N -1.183 118.388 119.600 -0.048 0.000 2.591 456 M HA 0.629 5.208 4.480 0.164 0.000 0.306 456 M C 0.344 176.615 176.300 -0.049 0.000 1.190 456 M CA -0.507 54.770 55.300 -0.038 0.000 0.889 456 M CB 1.906 34.498 32.600 -0.013 0.000 1.728 456 M HN 0.734 nan 8.290 nan 0.000 0.458 457 G N 0.907 109.678 108.800 -0.048 0.000 2.598 457 G HA2 -0.104 3.955 3.960 0.164 0.000 0.269 457 G HA3 -0.104 3.955 3.960 0.164 0.000 0.269 457 G C 0.729 175.508 174.900 -0.202 0.000 1.289 457 G CA 0.769 45.818 45.100 -0.085 0.000 0.926 457 G HN 1.690 nan 8.290 nan 0.000 0.567 458 A N -1.042 121.627 122.820 -0.252 0.000 2.067 458 A HA -0.194 4.224 4.320 0.164 0.000 0.224 458 A C 2.195 179.653 177.584 -0.210 0.000 1.172 458 A CA 2.858 54.701 52.037 -0.323 0.000 0.662 458 A CB -0.550 18.343 19.000 -0.179 0.000 0.814 458 A HN 0.952 nan 8.150 nan 0.000 0.468 459 E N -0.789 119.330 120.200 -0.136 0.000 2.107 459 E HA -0.020 4.428 4.350 0.164 0.000 0.191 459 E C 2.175 178.715 176.600 -0.100 0.000 0.982 459 E CA 0.748 57.093 56.400 -0.092 0.000 0.809 459 E CB -0.204 29.460 29.700 -0.060 0.000 0.756 459 E HN 0.629 nan 8.360 nan 0.000 0.459 460 A N 0.851 123.599 122.820 -0.120 0.000 2.015 460 A HA -0.118 4.300 4.320 0.164 0.000 0.219 460 A C 1.908 179.418 177.584 -0.123 0.000 1.163 460 A CA 0.865 52.837 52.037 -0.109 0.000 0.646 460 A CB -0.236 18.704 19.000 -0.100 0.000 0.806 460 A HN 0.249 nan 8.150 nan 0.000 0.448 461 I N -0.372 120.091 120.570 -0.179 0.000 2.584 461 I HA -0.130 4.139 4.170 0.164 0.000 0.255 461 I C 2.422 178.468 176.117 -0.118 0.000 1.145 461 I CA 1.267 62.468 61.300 -0.166 0.000 1.462 461 I CB -1.644 36.192 38.000 -0.274 0.000 1.102 461 I HN 0.558 nan 8.210 nan 0.000 0.433 462 Q N 0.972 120.705 119.800 -0.112 0.000 2.135 462 Q HA -0.231 4.208 4.340 0.164 0.000 0.204 462 Q C 2.216 178.183 176.000 -0.055 0.000 0.981 462 Q CA 1.657 57.422 55.803 -0.063 0.000 0.856 462 Q CB 0.138 28.850 28.738 -0.043 0.000 0.902 462 Q HN 0.450 nan 8.270 nan 0.000 0.425 463 Q N 0.293 120.057 119.800 -0.060 0.000 1.990 463 Q HA -0.131 4.308 4.340 0.164 0.000 0.200 463 Q C 2.364 178.328 176.000 -0.059 0.000 0.980 463 Q CA 1.284 57.056 55.803 -0.051 0.000 0.832 463 Q CB -0.395 28.313 28.738 -0.051 0.000 0.897 463 Q HN 0.463 nan 8.270 nan 0.000 0.427 464 L N 0.602 121.785 121.223 -0.067 0.000 1.997 464 L HA -0.268 4.170 4.340 0.164 0.000 0.216 464 L C 2.613 179.435 176.870 -0.080 0.000 1.074 464 L CA 1.216 56.017 54.840 -0.066 0.000 0.763 464 L CB -0.668 41.352 42.059 -0.064 0.000 0.890 464 L HN 0.251 nan 8.230 nan 0.000 0.434 465 L N -0.277 120.889 121.223 -0.094 0.000 2.043 465 L HA -0.288 4.150 4.340 0.164 0.000 0.212 465 L C 2.745 179.520 176.870 -0.157 0.000 1.075 465 L CA 1.626 56.383 54.840 -0.138 0.000 0.752 465 L CB -0.224 41.748 42.059 -0.145 0.000 0.891 465 L HN 0.289 nan 8.230 nan 0.000 0.432 466 K N -0.507 119.826 120.400 -0.111 0.000 2.097 466 K HA -0.191 4.227 4.320 0.164 0.000 0.206 466 K C 1.844 178.395 176.600 -0.082 0.000 1.049 466 K CA 1.595 57.827 56.287 -0.093 0.000 0.933 466 K CB -0.038 32.439 32.500 -0.037 0.000 0.717 466 K HN 0.490 nan 8.250 nan 0.000 0.442 467 E N 0.736 120.894 120.200 -0.070 0.000 2.122 467 E HA 0.026 4.474 4.350 0.164 0.000 0.190 467 E C 0.157 176.719 176.600 -0.065 0.000 0.977 467 E CA -0.111 56.255 56.400 -0.056 0.000 0.820 467 E CB 0.104 29.778 29.700 -0.043 0.000 0.770 467 E HN 0.147 nan 8.360 nan 0.000 0.462 468 L N 3.187 124.363 121.223 -0.079 0.000 2.810 468 L HA -0.089 4.349 4.340 0.164 0.000 0.279 468 L C 0.129 176.950 176.870 -0.081 0.000 1.144 468 L CA 0.207 55.000 54.840 -0.078 0.000 0.998 468 L CB -0.153 41.848 42.059 -0.096 0.000 1.342 468 L HN 0.049 nan 8.230 nan 0.000 0.473 469 D N 5.055 125.422 120.400 -0.054 0.000 2.483 469 D HA 0.124 4.863 4.640 0.164 0.000 0.220 469 D C 1.438 177.715 176.300 -0.038 0.000 1.173 469 D CA -0.182 53.790 54.000 -0.046 0.000 0.964 469 D CB 0.759 41.541 40.800 -0.029 0.000 1.046 469 D HN 0.430 nan 8.370 nan 0.000 0.517 470 L N 2.317 123.509 121.223 -0.051 0.000 2.064 470 L HA -0.345 4.094 4.340 0.164 0.000 0.234 470 L C 2.320 179.186 176.870 -0.005 0.000 1.103 470 L CA 1.540 56.364 54.840 -0.027 0.000 0.824 470 L CB -1.006 41.036 42.059 -0.028 0.000 0.919 470 L HN 0.399 nan 8.230 nan 0.000 0.447 471 E N 0.997 121.195 120.200 -0.004 0.000 2.095 471 E HA -0.347 4.102 4.350 0.164 0.000 0.212 471 E C 2.203 178.806 176.600 0.006 0.000 1.044 471 E CA 1.805 58.208 56.400 0.005 0.000 0.857 471 E CB -0.650 29.052 29.700 0.003 0.000 0.764 471 E HN 0.598 nan 8.360 nan 0.000 0.462 472 A N 1.624 124.444 122.820 -0.000 0.000 1.869 472 A HA -0.209 4.209 4.320 0.164 0.000 0.218 472 A C 2.388 179.975 177.584 0.006 0.000 1.203 472 A CA 2.055 54.093 52.037 0.002 0.000 0.638 472 A CB -0.836 18.161 19.000 -0.005 0.000 0.831 472 A HN 0.180 nan 8.150 nan 0.000 0.450 473 L N -0.243 120.981 121.223 0.002 0.000 2.191 473 L HA -0.129 4.309 4.340 0.164 0.000 0.212 473 L C 2.370 179.250 176.870 0.016 0.000 1.103 473 L CA 2.012 56.857 54.840 0.008 0.000 0.769 473 L CB -0.719 41.342 42.059 0.003 0.000 0.908 473 L HN 0.618 nan 8.230 nan 0.000 0.438 474 E N 0.069 120.280 120.200 0.018 0.000 2.031 474 E HA -0.273 4.176 4.350 0.164 0.000 0.193 474 E C 2.048 178.664 176.600 0.026 0.000 0.994 474 E CA 1.472 57.886 56.400 0.024 0.000 0.800 474 E CB 0.131 29.846 29.700 0.024 0.000 0.752 474 E HN 0.473 nan 8.360 nan 0.000 0.447 475 K N 0.590 121.005 120.400 0.025 0.000 2.002 475 K HA -0.162 4.257 4.320 0.164 0.000 0.209 475 K C 2.234 178.856 176.600 0.037 0.000 1.048 475 K CA 1.617 57.922 56.287 0.030 0.000 0.930 475 K CB -0.187 32.327 32.500 0.025 0.000 0.714 475 K HN 0.117 nan 8.250 nan 0.000 0.438 476 E N 0.885 121.103 120.200 0.029 0.000 2.070 476 E HA -0.198 4.251 4.350 0.164 0.000 0.197 476 E C 1.994 178.618 176.600 0.041 0.000 1.004 476 E CA 1.198 57.617 56.400 0.031 0.000 0.805 476 E CB -0.084 29.628 29.700 0.019 0.000 0.744 476 E HN 0.218 nan 8.360 nan 0.000 0.451 477 L N 0.500 121.743 121.223 0.034 0.000 2.093 477 L HA -0.177 4.261 4.340 0.164 0.000 0.208 477 L C 2.396 179.290 176.870 0.039 0.000 1.085 477 L CA 0.603 55.464 54.840 0.034 0.000 0.755 477 L CB -0.358 41.717 42.059 0.026 0.000 0.904 477 L HN 0.245 nan 8.230 nan 0.000 0.435 478 L N -0.521 120.726 121.223 0.040 0.000 2.013 478 L HA -0.246 4.192 4.340 0.164 0.000 0.212 478 L C 2.766 179.671 176.870 0.058 0.000 1.073 478 L CA 1.403 56.264 54.840 0.034 0.000 0.753 478 L CB -0.742 41.341 42.059 0.039 0.000 0.890 478 L HN 0.349 nan 8.230 nan 0.000 0.432 479 E N 0.090 120.372 120.200 0.137 0.000 2.028 479 E HA -0.250 4.199 4.350 0.164 0.000 0.191 479 E C 1.989 178.805 176.600 0.360 0.000 0.988 479 E CA 1.229 57.834 56.400 0.342 0.000 0.799 479 E CB -0.281 29.530 29.700 0.185 0.000 0.755 479 E HN 0.376 nan 8.360 nan 0.000 0.447 480 E N 1.255 121.551 120.200 0.159 0.000 2.086 480 E HA -0.208 4.240 4.350 0.164 0.000 0.200 480 E C 2.104 178.746 176.600 0.070 0.000 1.012 480 E CA 1.446 57.908 56.400 0.104 0.000 0.812 480 E CB -0.338 29.396 29.700 0.057 0.000 0.743 480 E HN 0.213 nan 8.360 nan 0.000 0.453 481 M N -0.167 119.452 119.600 0.031 0.000 2.084 481 M HA -0.221 4.357 4.480 0.164 0.000 0.259 481 M C 2.101 178.363 176.300 -0.063 0.000 1.072 481 M CA 1.990 57.282 55.300 -0.013 0.000 1.107 481 M CB -0.078 32.512 32.600 -0.017 0.000 1.299 481 M HN -0.047 nan 8.290 nan 0.000 0.413 482 K N -1.671 118.628 120.400 -0.168 0.000 2.418 482 K HA -0.064 4.354 4.320 0.164 0.000 0.195 482 K C 1.260 177.671 176.600 -0.315 0.000 1.035 482 K CA 0.711 56.838 56.287 -0.266 0.000 1.003 482 K CB 0.102 32.388 32.500 -0.358 0.000 0.793 482 K HN 0.576 nan 8.250 nan 0.000 0.494 483 H N -0.738 118.331 119.070 -0.000 0.000 2.439 483 H HA 0.107 4.762 4.556 0.164 0.000 0.299 483 H C -1.678 173.649 175.328 -0.002 0.000 1.033 483 H CA -0.380 55.667 56.048 -0.001 0.000 1.348 483 H CB -0.755 29.007 29.762 -0.000 0.000 1.449 483 H HN 0.061 nan 8.280 nan 0.000 0.544 484 P HA 0.105 nan 4.420 nan 0.000 0.274 484 P C -0.257 177.062 177.300 0.031 0.000 1.237 484 P CA -0.051 63.086 63.100 0.061 0.000 0.793 484 P CB 1.100 32.831 31.700 0.051 0.000 0.977 485 S N 0.757 116.470 115.700 0.023 0.000 2.580 485 S HA 0.088 4.657 4.470 0.164 0.000 0.266 485 S C 1.457 176.061 174.600 0.007 0.000 1.354 485 S CA -0.491 57.716 58.200 0.012 0.000 1.008 485 S CB 0.275 63.481 63.200 0.010 0.000 0.898 485 S HN 0.363 nan 8.310 nan 0.000 0.555 486 R N 0.662 121.163 120.500 0.002 0.000 2.170 486 R HA -0.206 4.233 4.340 0.164 0.000 0.242 486 R C 2.329 178.630 176.300 0.002 0.000 1.145 486 R CA 1.308 57.407 56.100 -0.001 0.000 0.984 486 R CB -0.701 29.597 30.300 -0.003 0.000 0.869 486 R HN 0.769 nan 8.270 nan 0.000 0.455 487 A N 1.481 124.303 122.820 0.003 0.000 1.902 487 A HA -0.215 4.203 4.320 0.164 0.000 0.217 487 A C 2.023 179.611 177.584 0.005 0.000 1.181 487 A CA 1.705 53.744 52.037 0.003 0.000 0.623 487 A CB -0.305 18.697 19.000 0.003 0.000 0.818 487 A HN 0.442 nan 8.150 nan 0.000 0.443 488 R N -0.530 119.975 120.500 0.008 0.000 2.206 488 R HA 0.084 4.523 4.340 0.164 0.000 0.198 488 R C 2.206 178.514 176.300 0.012 0.000 0.986 488 R CA 0.618 56.724 56.100 0.011 0.000 1.029 488 R CB -0.413 29.895 30.300 0.015 0.000 0.966 488 R HN 0.589 nan 8.270 nan 0.000 0.487 489 R N 1.627 122.134 120.500 0.011 0.000 2.075 489 R HA 0.060 4.498 4.340 0.164 0.000 0.232 489 R C 2.136 178.439 176.300 0.005 0.000 1.126 489 R CA 1.436 57.541 56.100 0.008 0.000 0.963 489 R CB -0.470 29.830 30.300 0.001 0.000 0.858 489 R HN 0.176 nan 8.270 nan 0.000 0.435 490 A N 1.975 124.797 122.820 0.004 0.000 1.902 490 A HA -0.199 4.220 4.320 0.164 0.000 0.217 490 A C 2.211 179.799 177.584 0.006 0.000 1.181 490 A CA 1.707 53.746 52.037 0.004 0.000 0.623 490 A CB -0.541 18.461 19.000 0.002 0.000 0.818 490 A HN 0.540 nan 8.150 nan 0.000 0.443 491 K N -0.118 120.286 120.400 0.006 0.000 2.026 491 K HA -0.065 4.354 4.320 0.164 0.000 0.208 491 K C 2.075 178.680 176.600 0.009 0.000 1.048 491 K CA 1.468 57.759 56.287 0.007 0.000 0.929 491 K CB -0.419 32.085 32.500 0.006 0.000 0.713 491 K HN 0.292 nan 8.250 nan 0.000 0.439 492 A N 1.867 124.694 122.820 0.011 0.000 1.933 492 A HA -0.211 4.208 4.320 0.164 0.000 0.218 492 A C 2.077 179.669 177.584 0.014 0.000 1.175 492 A CA 1.854 53.899 52.037 0.014 0.000 0.628 492 A CB -0.645 18.366 19.000 0.018 0.000 0.814 492 A HN 0.610 nan 8.150 nan 0.000 0.444 493 R N 0.531 121.038 120.500 0.011 0.000 2.080 493 R HA -0.123 4.315 4.340 0.164 0.000 0.236 493 R C 2.007 178.316 176.300 0.015 0.000 1.137 493 R CA 2.171 58.278 56.100 0.012 0.000 0.943 493 R CB -0.719 29.587 30.300 0.010 0.000 0.846 493 R HN 0.385 nan 8.270 nan 0.000 0.431 494 K N 0.391 120.799 120.400 0.013 0.000 2.209 494 K HA -0.139 4.279 4.320 0.164 0.000 0.204 494 K C 2.200 178.805 176.600 0.009 0.000 1.048 494 K CA 1.532 57.825 56.287 0.011 0.000 0.940 494 K CB -0.075 32.431 32.500 0.009 0.000 0.729 494 K HN 0.362 nan 8.250 nan 0.000 0.451 495 R N 0.332 120.839 120.500 0.012 0.000 2.119 495 R HA -0.062 4.377 4.340 0.164 0.000 0.222 495 R C 2.269 178.581 176.300 0.020 0.000 1.088 495 R CA 0.511 56.620 56.100 0.015 0.000 0.984 495 R CB -0.104 30.206 30.300 0.016 0.000 0.884 495 R HN 0.133 nan 8.270 nan 0.000 0.447 496 L N 1.456 122.690 121.223 0.019 0.000 2.156 496 L HA -0.025 4.413 4.340 0.164 0.000 0.208 496 L C 1.608 178.488 176.870 0.017 0.000 1.095 496 L CA 1.751 56.604 54.840 0.022 0.000 0.770 496 L CB -0.395 41.677 42.059 0.021 0.000 0.914 496 L HN 0.178 nan 8.230 nan 0.000 0.439 497 E N -1.002 119.202 120.200 0.007 0.000 2.031 497 E HA -0.206 4.242 4.350 0.164 0.000 0.193 497 E C 2.155 178.729 176.600 -0.045 0.000 0.994 497 E CA 1.861 58.256 56.400 -0.010 0.000 0.800 497 E CB -0.149 29.545 29.700 -0.010 0.000 0.752 497 E HN 0.360 nan 8.360 nan 0.000 0.447 498 V N 0.701 120.584 119.914 -0.052 0.000 2.250 498 V HA -0.324 3.894 4.120 0.164 0.000 0.250 498 V C 2.374 178.455 176.094 -0.022 0.000 1.060 498 V CA 1.892 64.128 62.300 -0.107 0.000 1.030 498 V CB -0.649 31.161 31.823 -0.022 0.000 0.643 498 V HN 0.182 nan 8.190 nan 0.000 0.445 499 V N 0.081 120.046 119.914 0.085 0.000 2.252 499 V HA -0.344 3.875 4.120 0.164 0.000 0.249 499 V C 2.505 178.663 176.094 0.108 0.000 1.056 499 V CA 2.563 64.950 62.300 0.145 0.000 1.022 499 V CB -0.984 30.885 31.823 0.078 0.000 0.641 499 V HN 0.502 nan 8.190 nan 0.000 0.445 500 R N 1.147 121.671 120.500 0.040 0.000 2.127 500 R HA -0.201 4.238 4.340 0.164 0.000 0.228 500 R C 2.315 178.617 176.300 0.004 0.000 1.125 500 R CA 2.347 58.461 56.100 0.024 0.000 0.904 500 R CB -1.457 28.849 30.300 0.010 0.000 0.831 500 R HN 0.413 nan 8.270 nan 0.000 0.431 501 A N -0.282 122.493 122.820 -0.076 0.000 1.935 501 A HA -0.297 4.122 4.320 0.164 0.000 0.224 501 A C 2.401 179.905 177.584 -0.133 0.000 1.324 501 A CA 2.351 54.289 52.037 -0.166 0.000 0.686 501 A CB -1.369 17.424 19.000 -0.345 0.000 0.837 501 A HN 0.499 nan 8.150 nan 0.000 0.481 502 F N -0.568 119.348 119.950 -0.057 0.000 2.031 502 F HA -0.173 4.452 4.527 0.164 0.000 0.295 502 F C 2.355 178.125 175.800 -0.051 0.000 1.133 502 F CA 1.521 59.477 58.000 -0.074 0.000 1.188 502 F CB -0.496 38.439 39.000 -0.108 0.000 0.974 502 F HN 0.139 nan 8.300 nan 0.000 0.473 503 L N -0.303 121.030 121.223 0.182 0.000 1.990 503 L HA -0.284 4.155 4.340 0.164 0.000 0.213 503 L C 2.064 178.974 176.870 0.068 0.000 1.072 503 L CA 1.441 56.335 54.840 0.090 0.000 0.755 503 L CB -0.774 41.324 42.059 0.065 0.000 0.889 503 L HN 0.116 nan 8.230 nan 0.000 0.432 504 D N -0.036 120.395 120.400 0.052 0.000 2.242 504 D HA -0.196 4.542 4.640 0.164 0.000 0.193 504 D C 2.304 178.627 176.300 0.039 0.000 1.005 504 D CA 2.030 56.051 54.000 0.035 0.000 0.856 504 D CB -0.147 40.662 40.800 0.015 0.000 1.001 504 D HN 0.168 nan 8.370 nan 0.000 0.452 505 S N -1.127 114.594 115.700 0.035 0.000 2.399 505 S HA 0.103 4.671 4.470 0.164 0.000 0.231 505 S C 1.667 176.309 174.600 0.070 0.000 1.022 505 S CA 1.318 59.544 58.200 0.043 0.000 0.983 505 S CB 0.049 63.265 63.200 0.027 0.000 0.803 505 S HN 0.616 nan 8.310 nan 0.000 0.480 506 G N 1.589 110.441 108.800 0.086 0.000 3.626 506 G HA2 -0.237 3.822 3.960 0.164 0.000 0.241 506 G HA3 -0.237 3.822 3.960 0.164 0.000 0.241 506 G C -0.408 174.570 174.900 0.130 0.000 1.824 506 G CA -0.366 44.792 45.100 0.097 0.000 1.511 506 G HN 0.353 nan 8.290 nan 0.000 0.600 507 N N 2.924 121.724 118.700 0.168 0.000 1.960 507 N HA 0.058 4.896 4.740 0.164 0.000 0.295 507 N C 0.777 176.386 175.510 0.164 0.000 1.364 507 N CA 0.872 54.068 53.050 0.244 0.000 0.887 507 N CB -0.056 38.590 38.487 0.266 0.000 1.226 507 N HN 0.575 nan 8.380 nan 0.000 0.492 508 R N 4.111 124.595 120.500 -0.026 0.000 2.641 508 R HA 0.072 4.511 4.340 0.164 0.000 0.269 508 R C -1.090 174.572 176.300 -1.063 0.000 1.074 508 R CA -1.273 54.544 56.100 -0.473 0.000 1.133 508 R CB 0.307 30.311 30.300 -0.492 0.000 1.029 508 R HN 0.430 nan 8.270 nan 0.000 0.488 509 P HA -0.126 nan 4.420 nan 0.000 0.225 509 P C -0.023 176.767 177.300 -0.850 0.000 1.148 509 P CA 1.173 63.460 63.100 -1.356 0.000 0.779 509 P CB 0.346 30.895 31.700 -1.919 0.000 0.780 510 E N -0.111 119.480 120.200 -1.014 0.000 2.267 510 E HA -0.164 4.284 4.350 0.164 0.000 0.197 510 E C 1.770 178.346 176.600 -0.040 0.000 0.998 510 E CA 1.272 57.354 56.400 -0.530 0.000 0.830 510 E CB -1.089 28.322 29.700 -0.482 0.000 0.751 510 E HN 0.575 nan 8.360 nan 0.000 0.491 511 W N 0.033 121.318 121.300 -0.025 0.000 2.611 511 W HA 0.004 4.762 4.660 0.163 0.000 0.251 511 W C 1.728 178.305 176.519 0.097 0.000 1.265 511 W CA -0.410 56.952 57.345 0.028 0.000 1.295 511 W CB -0.321 29.167 29.460 0.048 0.000 1.129 511 W HN 0.016 nan 8.180 nan 0.000 0.630 512 M N 1.055 120.812 119.600 0.261 0.000 2.514 512 M HA -0.130 4.448 4.480 0.164 0.000 0.259 512 M C 0.393 176.881 176.300 0.312 0.000 1.073 512 M CA 1.209 56.737 55.300 0.380 0.000 1.049 512 M CB -0.846 31.924 32.600 0.283 0.000 1.392 512 M HN 0.008 nan 8.290 nan 0.000 0.466 513 I N -1.580 119.120 120.570 0.217 0.000 2.353 513 I HA 0.335 4.604 4.170 0.164 0.000 0.293 513 I C -0.564 175.629 176.117 0.127 0.000 0.992 513 I CA -0.658 60.730 61.300 0.147 0.000 1.268 513 I CB 0.570 38.620 38.000 0.085 0.000 1.387 513 I HN -0.120 nan 8.210 nan 0.000 0.478 514 L N 5.739 127.019 121.223 0.096 0.000 2.290 514 L HA 0.389 4.828 4.340 0.164 0.000 0.284 514 L C 0.859 177.744 176.870 0.025 0.000 1.078 514 L CA 0.118 54.994 54.840 0.060 0.000 0.815 514 L CB 1.186 43.273 42.059 0.047 0.000 1.162 514 L HN 0.962 nan 8.230 nan 0.000 0.435 515 E N 2.152 122.356 120.200 0.007 0.000 2.535 515 E HA 0.280 4.729 4.350 0.164 0.000 0.216 515 E C -0.035 176.556 176.600 -0.015 0.000 0.845 515 E CA -0.238 56.159 56.400 -0.006 0.000 1.306 515 E CB 0.801 30.495 29.700 -0.010 0.000 1.291 515 E HN 0.447 nan 8.360 nan 0.000 0.635 516 A N 1.615 124.419 122.820 -0.026 0.000 2.466 516 A HA 0.534 4.953 4.320 0.164 0.000 0.291 516 A C -0.743 176.825 177.584 -0.027 0.000 1.234 516 A CA -0.641 51.384 52.037 -0.020 0.000 0.752 516 A CB 1.253 20.219 19.000 -0.056 0.000 1.153 516 A HN 0.069 nan 8.150 nan 0.000 0.458 517 V N 4.234 124.142 119.914 -0.011 0.000 2.427 517 V HA 0.229 4.448 4.120 0.164 0.000 0.268 517 V C -2.257 173.860 176.094 0.037 0.000 1.046 517 V CA -1.151 61.140 62.300 -0.016 0.000 0.970 517 V CB 0.873 32.658 31.823 -0.063 0.000 1.001 517 V HN 0.687 nan 8.190 nan 0.000 0.476 518 P HA 0.203 nan 4.420 nan 0.000 0.276 518 P C -0.539 176.904 177.300 0.239 0.000 1.243 518 P CA -0.107 63.060 63.100 0.111 0.000 0.768 518 P CB 0.810 32.549 31.700 0.065 0.000 0.856 519 V N 5.368 125.457 119.914 0.291 0.000 2.406 519 V HA 0.114 4.333 4.120 0.164 0.000 0.272 519 V C 0.681 176.953 176.094 0.297 0.000 1.043 519 V CA -0.649 61.887 62.300 0.393 0.000 0.915 519 V CB 0.786 32.826 31.823 0.362 0.000 0.988 519 V HN 0.443 nan 8.190 nan 0.000 0.466 520 L N 8.839 130.180 121.223 0.196 0.000 2.483 520 L HA 0.345 4.783 4.340 0.164 0.000 0.275 520 L C -2.174 174.759 176.870 0.105 0.000 1.220 520 L CA -0.434 54.484 54.840 0.130 0.000 0.833 520 L CB 0.147 42.232 42.059 0.044 0.000 1.102 520 L HN 0.411 nan 8.230 nan 0.000 0.490 521 P HA 0.064 nan 4.420 nan 0.000 0.269 521 P C -2.299 174.859 177.300 -0.238 0.000 1.211 521 P CA -0.569 62.603 63.100 0.120 0.000 0.781 521 P CB 0.061 31.840 31.700 0.131 0.000 0.877 522 P HA -0.062 nan 4.420 nan 0.000 0.221 522 P C 0.698 177.902 177.300 -0.160 0.000 1.155 522 P CA 1.324 64.150 63.100 -0.458 0.000 0.812 522 P CB 0.090 31.409 31.700 -0.635 0.000 0.801 523 D N -0.920 119.390 120.400 -0.151 0.000 2.277 523 D HA -0.021 4.718 4.640 0.164 0.000 0.208 523 D C 1.699 177.944 176.300 -0.092 0.000 0.962 523 D CA 0.766 54.689 54.000 -0.128 0.000 0.865 523 D CB -0.264 40.435 40.800 -0.168 0.000 0.939 523 D HN 0.083 nan 8.370 nan 0.000 0.510 524 L N 0.620 121.800 121.223 -0.071 0.000 2.275 524 L HA -0.077 4.361 4.340 0.164 0.000 0.215 524 L C 1.241 178.094 176.870 -0.029 0.000 1.119 524 L CA 0.960 55.782 54.840 -0.030 0.000 0.790 524 L CB -0.097 41.962 42.059 -0.000 0.000 0.919 524 L HN 0.016 nan 8.230 nan 0.000 0.443 525 R N -0.690 119.785 120.500 -0.043 0.000 2.468 525 R HA 0.479 4.918 4.340 0.164 0.000 0.302 525 R C -2.966 173.331 176.300 -0.004 0.000 1.041 525 R CA -1.560 54.525 56.100 -0.024 0.000 0.899 525 R CB 0.522 30.800 30.300 -0.038 0.000 1.167 525 R HN -0.119 nan 8.270 nan 0.000 0.483 539 D N 1.692 122.117 120.400 0.042 0.000 2.196 539 D HA 0.012 4.750 4.640 0.164 0.000 0.228 539 D C 1.979 178.319 176.300 0.066 0.000 1.028 539 D CA 0.590 54.619 54.000 0.049 0.000 0.924 539 D CB -0.723 40.106 40.800 0.048 0.000 1.025 539 D HN 0.342 nan 8.370 nan 0.000 0.438 540 L N 1.739 123.009 121.223 0.079 0.000 2.197 540 L HA -0.186 4.253 4.340 0.164 0.000 0.215 540 L C 2.068 179.050 176.870 0.187 0.000 1.095 540 L CA 1.232 56.155 54.840 0.138 0.000 0.764 540 L CB -0.908 41.242 42.059 0.151 0.000 0.897 540 L HN 0.095 nan 8.230 nan 0.000 0.436 541 N N -0.403 118.347 118.700 0.084 0.000 2.084 541 N HA -0.183 4.655 4.740 0.164 0.000 0.190 541 N C 1.455 177.023 175.510 0.097 0.000 1.030 541 N CA 1.533 54.614 53.050 0.053 0.000 0.849 541 N CB -0.422 38.060 38.487 -0.007 0.000 1.012 541 N HN 0.355 nan 8.380 nan 0.000 0.423 542 D N 1.157 121.602 120.400 0.075 0.000 2.133 542 D HA -0.102 4.637 4.640 0.164 0.000 0.195 542 D C 2.193 178.532 176.300 0.064 0.000 0.997 542 D CA 0.646 54.682 54.000 0.060 0.000 0.840 542 D CB -0.343 40.486 40.800 0.047 0.000 0.947 542 D HN 0.245 nan 8.370 nan 0.000 0.452 543 L N -0.950 120.321 121.223 0.079 0.000 2.056 543 L HA -0.149 4.289 4.340 0.164 0.000 0.207 543 L C 2.277 179.160 176.870 0.022 0.000 1.078 543 L CA 0.807 55.671 54.840 0.040 0.000 0.749 543 L CB -0.468 41.608 42.059 0.029 0.000 0.901 543 L HN 0.060 nan 8.230 nan 0.000 0.433 544 Y N 0.406 120.692 120.300 -0.024 0.000 2.224 544 Y HA -0.231 4.417 4.550 0.164 0.000 0.289 544 Y C 2.870 178.749 175.900 -0.036 0.000 1.146 544 Y CA 1.397 59.477 58.100 -0.033 0.000 1.182 544 Y CB -0.108 38.321 38.460 -0.051 0.000 0.983 544 Y HN 0.013 nan 8.280 nan 0.000 0.524 545 R N -0.239 120.330 120.500 0.115 0.000 2.073 545 R HA -0.178 4.261 4.340 0.164 0.000 0.234 545 R C 2.311 178.625 176.300 0.022 0.000 1.134 545 R CA 1.590 57.722 56.100 0.052 0.000 0.952 545 R CB -0.338 29.984 30.300 0.036 0.000 0.850 545 R HN 0.352 nan 8.270 nan 0.000 0.433 546 R N 0.648 121.156 120.500 0.013 0.000 2.122 546 R HA -0.227 4.212 4.340 0.164 0.000 0.236 546 R C 2.458 178.746 176.300 -0.019 0.000 1.129 546 R CA 1.957 58.055 56.100 -0.003 0.000 0.925 546 R CB -0.916 29.379 30.300 -0.009 0.000 0.850 546 R HN 0.159 nan 8.270 nan 0.000 0.431 547 L N 1.124 122.318 121.223 -0.048 0.000 1.963 547 L HA -0.261 4.177 4.340 0.164 0.000 0.220 547 L C 2.239 179.086 176.870 -0.039 0.000 1.076 547 L CA 1.832 56.632 54.840 -0.067 0.000 0.772 547 L CB -0.520 41.453 42.059 -0.144 0.000 0.892 547 L HN 0.179 nan 8.230 nan 0.000 0.435 548 I N 0.103 120.659 120.570 -0.023 0.000 2.113 548 I HA -0.412 3.857 4.170 0.164 0.000 0.242 548 I C 2.374 178.487 176.117 -0.008 0.000 1.057 548 I CA 2.138 63.435 61.300 -0.006 0.000 1.314 548 I CB -1.720 36.291 38.000 0.018 0.000 1.022 548 I HN 0.533 nan 8.210 nan 0.000 0.408 549 N N 0.312 119.010 118.700 -0.003 0.000 2.000 549 N HA -0.222 4.617 4.740 0.164 0.000 0.198 549 N C 1.958 177.465 175.510 -0.005 0.000 1.057 549 N CA 1.563 54.612 53.050 -0.002 0.000 0.858 549 N CB -0.056 38.433 38.487 0.002 0.000 1.057 549 N HN 0.304 nan 8.380 nan 0.000 0.423 550 R N 0.600 121.097 120.500 -0.006 0.000 2.103 550 R HA -0.160 4.279 4.340 0.164 0.000 0.242 550 R C 1.977 178.273 176.300 -0.006 0.000 1.142 550 R CA 1.504 57.602 56.100 -0.004 0.000 0.960 550 R CB -0.506 29.793 30.300 -0.002 0.000 0.858 550 R HN 0.331 nan 8.270 nan 0.000 0.439 551 N N 0.643 119.336 118.700 -0.013 0.000 2.149 551 N HA -0.173 4.666 4.740 0.164 0.000 0.188 551 N C 1.173 176.675 175.510 -0.013 0.000 1.019 551 N CA 1.722 54.763 53.050 -0.015 0.000 0.857 551 N CB -0.098 38.374 38.487 -0.025 0.000 0.997 551 N HN 0.176 nan 8.380 nan 0.000 0.426 552 N N -0.394 118.299 118.700 -0.012 0.000 2.220 552 N HA 0.047 4.886 4.740 0.164 0.000 0.182 552 N C 1.521 177.028 175.510 -0.006 0.000 1.023 552 N CA 0.457 53.500 53.050 -0.010 0.000 0.856 552 N CB -0.147 38.334 38.487 -0.010 0.000 0.997 552 N HN 0.151 nan 8.380 nan 0.000 0.429 553 R N 0.333 120.831 120.500 -0.004 0.000 2.159 553 R HA -0.099 4.340 4.340 0.164 0.000 0.237 553 R C 1.712 178.012 176.300 -0.001 0.000 1.131 553 R CA 0.873 56.972 56.100 -0.002 0.000 0.982 553 R CB -0.279 30.021 30.300 -0.000 0.000 0.868 553 R HN 0.195 nan 8.270 nan 0.000 0.453 554 L N 1.169 122.391 121.223 -0.002 0.000 2.044 554 L HA -0.114 4.324 4.340 0.164 0.000 0.205 554 L C 1.944 178.813 176.870 -0.002 0.000 1.075 554 L CA 1.769 56.609 54.840 -0.000 0.000 0.747 554 L CB -0.226 41.833 42.059 -0.000 0.000 0.903 554 L HN -0.008 nan 8.230 nan 0.000 0.435 555 K N -0.378 120.019 120.400 -0.005 0.000 2.044 555 K HA -0.248 4.170 4.320 0.164 0.000 0.210 555 K C 2.086 178.683 176.600 -0.004 0.000 1.049 555 K CA 2.043 58.327 56.287 -0.006 0.000 0.927 555 K CB -0.223 32.272 32.500 -0.009 0.000 0.713 555 K HN 0.314 nan 8.250 nan 0.000 0.443 556 K N 0.730 121.128 120.400 -0.003 0.000 2.097 556 K HA -0.061 4.358 4.320 0.164 0.000 0.205 556 K C 1.825 178.425 176.600 -0.001 0.000 1.050 556 K CA 0.887 57.172 56.287 -0.002 0.000 0.938 556 K CB -0.052 32.447 32.500 -0.002 0.000 0.718 556 K HN 0.095 nan 8.250 nan 0.000 0.442 557 L N 1.181 122.404 121.223 -0.000 0.000 2.650 557 L HA -0.030 4.408 4.340 0.164 0.000 0.235 557 L C 1.504 178.375 176.870 0.002 0.000 1.149 557 L CA 0.296 55.136 54.840 0.001 0.000 0.887 557 L CB -0.048 42.013 42.059 0.002 0.000 1.021 557 L HN 0.194 nan 8.230 nan 0.000 0.441 558 L N -1.817 119.406 121.223 0.001 0.000 2.500 558 L HA 0.192 4.630 4.340 0.164 0.000 0.219 558 L C 2.434 179.305 176.870 0.001 0.000 1.057 558 L CA 0.516 55.357 54.840 0.002 0.000 0.854 558 L CB -0.236 41.824 42.059 0.001 0.000 1.078 558 L HN 0.123 nan 8.230 nan 0.000 0.480 559 A N -0.686 122.134 122.820 -0.000 0.000 2.044 559 A HA -0.019 4.400 4.320 0.164 0.000 0.213 559 A C 2.106 179.690 177.584 0.000 0.000 1.169 559 A CA 0.385 52.422 52.037 -0.000 0.000 0.724 559 A CB -0.006 18.993 19.000 -0.001 0.000 0.840 559 A HN 0.310 nan 8.150 nan 0.000 0.463 560 Q N -0.486 119.314 119.800 0.000 0.000 1.965 560 Q HA 0.160 4.598 4.340 0.164 0.000 0.200 560 Q C 0.771 176.771 176.000 0.001 0.000 0.981 560 Q CA 1.100 56.903 55.803 0.001 0.000 0.834 560 Q CB -0.069 28.669 28.738 0.001 0.000 0.900 560 Q HN 0.579 nan 8.270 nan 0.000 0.426 561 G N -1.048 107.754 108.800 0.002 0.000 2.750 561 G HA2 0.489 4.548 3.960 0.164 0.000 0.298 561 G HA3 0.489 4.548 3.960 0.164 0.000 0.298 561 G C -1.723 173.179 174.900 0.004 0.000 1.412 561 G CA -0.213 44.888 45.100 0.003 0.000 1.078 561 G HN 0.203 nan 8.290 nan 0.000 0.573 562 A N 3.611 126.434 122.820 0.005 0.000 3.000 562 A HA 0.711 5.129 4.320 0.164 0.000 0.315 562 A C -1.940 175.648 177.584 0.008 0.000 1.434 562 A CA -1.208 50.833 52.037 0.007 0.000 1.108 562 A CB -0.101 18.904 19.000 0.008 0.000 1.171 562 A HN 0.423 nan 8.150 nan 0.000 0.524 563 P HA 0.208 nan 4.420 nan 0.000 0.293 563 P C 0.606 177.911 177.300 0.008 0.000 1.313 563 P CA -0.288 62.816 63.100 0.007 0.000 0.787 563 P CB 1.448 33.151 31.700 0.005 0.000 0.910 564 E N 2.135 122.341 120.200 0.010 0.000 2.072 564 E HA -0.221 4.228 4.350 0.164 0.000 0.218 564 E C 1.846 178.450 176.600 0.006 0.000 1.051 564 E CA 1.716 58.123 56.400 0.011 0.000 0.880 564 E CB -0.440 29.269 29.700 0.015 0.000 0.783 564 E HN 0.526 nan 8.360 nan 0.000 0.473 565 I N 0.753 121.325 120.570 0.003 0.000 2.229 565 I HA -0.327 3.941 4.170 0.164 0.000 0.250 565 I C 2.543 178.659 176.117 -0.001 0.000 1.096 565 I CA 1.157 62.456 61.300 -0.002 0.000 1.358 565 I CB -0.350 37.647 38.000 -0.005 0.000 1.047 565 I HN 0.147 nan 8.210 nan 0.000 0.422 566 I N -0.091 120.481 120.570 0.002 0.000 2.277 566 I HA -0.221 4.047 4.170 0.164 0.000 0.243 566 I C 2.463 178.583 176.117 0.006 0.000 1.094 566 I CA 0.791 62.093 61.300 0.003 0.000 1.393 566 I CB -0.137 37.865 38.000 0.003 0.000 1.078 566 I HN 0.122 nan 8.210 nan 0.000 0.417 567 I N 1.166 121.740 120.570 0.007 0.000 2.091 567 I HA -0.330 3.939 4.170 0.164 0.000 0.239 567 I C 2.679 178.803 176.117 0.013 0.000 1.061 567 I CA 1.787 63.093 61.300 0.010 0.000 1.317 567 I CB -1.340 36.666 38.000 0.010 0.000 1.031 567 I HN 0.261 nan 8.210 nan 0.000 0.401 568 R N 0.554 121.062 120.500 0.013 0.000 2.088 568 R HA -0.205 4.234 4.340 0.164 0.000 0.232 568 R C 2.053 178.366 176.300 0.022 0.000 1.136 568 R CA 1.962 58.073 56.100 0.019 0.000 0.926 568 R CB -0.617 29.689 30.300 0.011 0.000 0.837 568 R HN 0.350 nan 8.270 nan 0.000 0.429 569 N N 0.175 118.882 118.700 0.011 0.000 2.182 569 N HA -0.232 4.606 4.740 0.164 0.000 0.192 569 N C 1.558 177.076 175.510 0.015 0.000 1.007 569 N CA 1.537 54.591 53.050 0.008 0.000 0.873 569 N CB -0.066 38.421 38.487 -0.001 0.000 0.998 569 N HN 0.218 nan 8.380 nan 0.000 0.436 570 E N 0.299 120.509 120.200 0.016 0.000 2.060 570 E HA 0.016 4.465 4.350 0.164 0.000 0.189 570 E C 1.478 178.096 176.600 0.030 0.000 0.974 570 E CA 0.858 57.268 56.400 0.018 0.000 0.808 570 E CB 0.138 29.845 29.700 0.012 0.000 0.768 570 E HN 0.082 nan 8.360 nan 0.000 0.453 571 K N 0.703 121.124 120.400 0.036 0.000 2.074 571 K HA -0.145 4.273 4.320 0.164 0.000 0.209 571 K C 2.139 178.793 176.600 0.089 0.000 1.048 571 K CA 1.172 57.489 56.287 0.050 0.000 0.926 571 K CB -0.396 32.132 32.500 0.047 0.000 0.713 571 K HN 0.143 nan 8.250 nan 0.000 0.444 572 R N 0.434 120.995 120.500 0.103 0.000 2.127 572 R HA -0.118 4.320 4.340 0.164 0.000 0.228 572 R C 2.617 178.992 176.300 0.125 0.000 1.125 572 R CA 2.118 58.309 56.100 0.152 0.000 0.904 572 R CB -0.571 29.773 30.300 0.073 0.000 0.831 572 R HN 0.153 nan 8.270 nan 0.000 0.431 573 M N 0.351 119.984 119.600 0.056 0.000 2.147 573 M HA -0.277 4.302 4.480 0.164 0.000 0.253 573 M C 2.387 178.718 176.300 0.052 0.000 1.075 573 M CA 1.690 57.012 55.300 0.035 0.000 1.085 573 M CB -0.549 32.060 32.600 0.016 0.000 1.305 573 M HN 0.150 nan 8.290 nan 0.000 0.409 574 L N 0.306 121.559 121.223 0.050 0.000 1.990 574 L HA -0.271 4.168 4.340 0.164 0.000 0.213 574 L C 2.508 179.413 176.870 0.059 0.000 1.072 574 L CA 2.189 57.052 54.840 0.039 0.000 0.755 574 L CB -0.825 41.252 42.059 0.030 0.000 0.889 574 L HN 0.322 nan 8.230 nan 0.000 0.432 575 Q N -0.353 119.514 119.800 0.110 0.000 2.181 575 Q HA -0.227 4.211 4.340 0.164 0.000 0.205 575 Q C 2.086 178.198 176.000 0.187 0.000 0.980 575 Q CA 1.990 57.879 55.803 0.142 0.000 0.862 575 Q CB -0.156 28.704 28.738 0.203 0.000 0.905 575 Q HN 0.633 nan 8.270 nan 0.000 0.429 576 E N -0.715 119.612 120.200 0.212 0.000 2.047 576 E HA -0.180 4.269 4.350 0.164 0.000 0.191 576 E C 1.887 178.530 176.600 0.073 0.000 0.987 576 E CA 0.911 57.411 56.400 0.165 0.000 0.799 576 E CB -0.233 29.514 29.700 0.078 0.000 0.752 576 E HN 0.497 nan 8.360 nan 0.000 0.449 577 A N 0.986 123.827 122.820 0.035 0.000 1.865 577 A HA -0.174 4.245 4.320 0.164 0.000 0.217 577 A C 2.496 180.053 177.584 -0.045 0.000 1.191 577 A CA 1.491 53.522 52.037 -0.011 0.000 0.623 577 A CB -0.849 18.137 19.000 -0.024 0.000 0.826 577 A HN 0.142 nan 8.150 nan 0.000 0.444 578 V N 0.655 120.543 119.914 -0.043 0.000 2.546 578 V HA -0.261 3.957 4.120 0.164 0.000 0.254 578 V C 1.992 178.022 176.094 -0.107 0.000 1.076 578 V CA 2.265 64.511 62.300 -0.090 0.000 1.087 578 V CB -0.829 30.955 31.823 -0.065 0.000 0.674 578 V HN 0.484 nan 8.190 nan 0.000 0.470 579 D N -0.036 120.339 120.400 -0.042 0.000 2.162 579 D HA 0.011 4.750 4.640 0.164 0.000 0.203 579 D C 2.246 178.525 176.300 -0.035 0.000 0.967 579 D CA 1.346 55.324 54.000 -0.037 0.000 0.840 579 D CB -0.106 40.723 40.800 0.048 0.000 0.972 579 D HN 0.418 nan 8.370 nan 0.000 0.482 580 A N 1.782 124.588 122.820 -0.023 0.000 1.842 580 A HA -0.188 4.231 4.320 0.164 0.000 0.217 580 A C 2.341 179.902 177.584 -0.037 0.000 1.206 580 A CA 1.791 53.818 52.037 -0.016 0.000 0.630 580 A CB -1.223 17.769 19.000 -0.014 0.000 0.839 580 A HN 0.368 nan 8.150 nan 0.000 0.447 581 L N -1.147 120.022 121.223 -0.090 0.000 2.129 581 L HA -0.191 4.247 4.340 0.164 0.000 0.212 581 L C 2.230 179.043 176.870 -0.095 0.000 1.087 581 L CA 1.856 56.630 54.840 -0.109 0.000 0.757 581 L CB -0.293 41.601 42.059 -0.276 0.000 0.896 581 L HN 0.428 nan 8.230 nan 0.000 0.434 582 L N -0.627 120.509 121.223 -0.145 0.000 2.022 582 L HA 0.048 4.487 4.340 0.164 0.000 0.204 582 L C 0.559 177.425 176.870 -0.007 0.000 1.076 582 L CA 1.152 55.874 54.840 -0.196 0.000 0.749 582 L CB -0.106 41.695 42.059 -0.429 0.000 0.903 582 L HN 0.340 nan 8.230 nan 0.000 0.439 583 D N -0.605 119.827 120.400 0.054 0.000 2.478 583 D HA 0.160 4.898 4.640 0.164 0.000 0.240 583 D C -1.252 175.103 176.300 0.091 0.000 1.364 583 D CA -0.396 53.696 54.000 0.153 0.000 0.987 583 D CB 0.922 41.894 40.800 0.287 0.000 1.328 583 D HN -0.101 nan 8.370 nan 0.000 0.584 584 N N 0.854 119.599 118.700 0.075 0.000 2.530 584 N HA 0.539 5.378 4.740 0.164 0.000 0.277 584 N C 1.282 176.825 175.510 0.055 0.000 1.168 584 N CA 1.138 54.221 53.050 0.054 0.000 0.979 584 N CB 1.558 40.072 38.487 0.044 0.000 1.141 584 N HN 0.727 nan 8.380 nan 0.000 0.459 585 G N 1.459 110.285 108.800 0.043 0.000 2.345 585 G HA2 -0.270 3.788 3.960 0.164 0.000 0.218 585 G HA3 -0.270 3.788 3.960 0.164 0.000 0.218 585 G C 1.212 176.134 174.900 0.036 0.000 1.058 585 G CA -0.083 45.038 45.100 0.036 0.000 0.632 585 G HN 0.496 nan 8.290 nan 0.000 0.508 586 R N 0.564 121.091 120.500 0.046 0.000 2.170 586 R HA -0.042 4.397 4.340 0.164 0.000 0.242 586 R C 1.412 177.740 176.300 0.047 0.000 1.145 586 R CA 1.490 57.617 56.100 0.044 0.000 0.984 586 R CB -0.185 30.150 30.300 0.059 0.000 0.869 586 R HN 0.545 nan 8.270 nan 0.000 0.455 587 R N -0.217 120.314 120.500 0.051 0.000 2.985 587 R HA 0.230 4.669 4.340 0.164 0.000 0.259 587 R C -0.867 175.445 176.300 0.019 0.000 1.815 587 R CA 0.447 56.575 56.100 0.046 0.000 1.278 587 R CB 0.606 30.965 30.300 0.099 0.000 1.403 587 R HN 0.286 nan 8.270 nan 0.000 0.534 588 G N 1.527 110.332 108.800 0.007 0.000 2.846 588 G HA2 -0.006 4.052 3.960 0.164 0.000 0.660 588 G HA3 -0.006 4.052 3.960 0.164 0.000 0.660 588 G C -0.994 173.912 174.900 0.009 0.000 1.464 588 G CA -0.336 44.764 45.100 -0.001 0.000 0.891 588 G HN 0.839 nan 8.290 nan 0.000 0.552 589 A N 1.048 123.873 122.820 0.007 0.000 2.353 589 A HA 0.847 5.265 4.320 0.164 0.000 0.299 589 A C -2.195 175.395 177.584 0.011 0.000 1.089 589 A CA -1.058 50.987 52.037 0.013 0.000 0.736 589 A CB 1.612 20.621 19.000 0.016 0.000 1.195 589 A HN 0.767 nan 8.150 nan 0.000 0.447 590 P HA 0.375 nan 4.420 nan 0.000 0.271 590 P C -0.554 176.755 177.300 0.014 0.000 1.220 590 P CA -0.049 63.059 63.100 0.012 0.000 0.768 590 P CB 0.963 32.671 31.700 0.015 0.000 0.848 591 V N -0.110 119.811 119.914 0.012 0.000 2.588 591 V HA 0.477 4.696 4.120 0.164 0.000 0.304 591 V C -0.013 176.089 176.094 0.014 0.000 1.042 591 V CA -0.653 61.655 62.300 0.013 0.000 0.877 591 V CB 1.560 33.389 31.823 0.010 0.000 0.996 591 V HN 0.393 nan 8.190 nan 0.000 0.425 592 T N 4.322 118.885 114.554 0.016 0.000 2.902 592 T HA 0.126 4.575 4.350 0.164 0.000 0.301 592 T C 0.506 175.214 174.700 0.013 0.000 1.012 592 T CA 0.560 62.670 62.100 0.017 0.000 1.151 592 T CB -0.303 68.576 68.868 0.019 0.000 0.946 592 T HN 0.915 nan 8.240 nan 0.000 0.542 593 N N 3.735 122.442 118.700 0.012 0.000 2.283 593 N HA 0.053 4.891 4.740 0.164 0.000 0.236 593 N C -2.414 173.101 175.510 0.009 0.000 1.252 593 N CA -0.561 52.494 53.050 0.009 0.000 0.856 593 N CB -0.132 38.360 38.487 0.009 0.000 1.099 593 N HN 0.397 nan 8.380 nan 0.000 0.444 594 P HA -0.201 nan 4.420 nan 0.000 0.254 594 P C 0.519 177.823 177.300 0.007 0.000 1.094 594 P CA 1.433 64.537 63.100 0.006 0.000 0.763 594 P CB -0.207 31.496 31.700 0.005 0.000 0.670 595 G N 1.236 110.040 108.800 0.007 0.000 3.611 595 G HA2 0.061 4.119 3.960 0.164 0.000 0.217 595 G HA3 0.061 4.119 3.960 0.164 0.000 0.217 595 G C -0.339 174.566 174.900 0.008 0.000 1.023 595 G CA 0.307 45.411 45.100 0.007 0.000 0.887 595 G HN 1.038 nan 8.290 nan 0.000 0.420 596 S N 0.768 116.473 115.700 0.009 0.000 2.584 596 S HA 0.419 4.988 4.470 0.164 0.000 0.282 596 S C -1.719 172.887 174.600 0.011 0.000 1.138 596 S CA -0.535 57.671 58.200 0.010 0.000 0.987 596 S CB 1.452 64.659 63.200 0.012 0.000 1.137 596 S HN 0.104 nan 8.310 nan 0.000 0.457 597 D N 2.986 123.392 120.400 0.010 0.000 2.801 597 D HA 0.100 4.839 4.640 0.164 0.000 0.232 597 D C 0.215 176.522 176.300 0.012 0.000 1.128 597 D CA 0.003 54.009 54.000 0.010 0.000 1.003 597 D CB 0.181 40.986 40.800 0.008 0.000 1.110 597 D HN 0.486 nan 8.370 nan 0.000 0.477 598 R N 1.833 122.342 120.500 0.015 0.000 2.437 598 R HA 0.345 4.784 4.340 0.164 0.000 0.310 598 R C -2.859 173.454 176.300 0.021 0.000 0.955 598 R CA -1.764 54.347 56.100 0.018 0.000 0.851 598 R CB 1.452 31.763 30.300 0.019 0.000 1.161 598 R HN -0.183 nan 8.270 nan 0.000 0.446 599 P HA -0.011 nan 4.420 nan 0.000 0.262 599 P C -0.882 176.437 177.300 0.032 0.000 1.199 599 P CA -0.065 63.052 63.100 0.027 0.000 0.763 599 P CB 0.388 32.105 31.700 0.029 0.000 0.790 600 L N 3.916 125.159 121.223 0.033 0.000 2.462 600 L HA 0.089 4.528 4.340 0.164 0.000 0.272 600 L C 1.371 178.268 176.870 0.046 0.000 1.166 600 L CA 0.508 55.370 54.840 0.038 0.000 0.880 600 L CB -0.292 41.790 42.059 0.038 0.000 1.142 600 L HN 0.252 nan 8.230 nan 0.000 0.473 601 R N 2.420 122.950 120.500 0.049 0.000 2.561 601 R HA 0.034 4.473 4.340 0.164 0.000 0.347 601 R C 0.111 176.452 176.300 0.068 0.000 0.916 601 R CA 0.029 56.164 56.100 0.058 0.000 1.063 601 R CB 0.016 30.350 30.300 0.055 0.000 0.916 601 R HN 0.864 nan 8.270 nan 0.000 0.410 602 S N 2.556 118.300 115.700 0.074 0.000 2.693 602 S HA 0.194 4.763 4.470 0.164 0.000 0.276 602 S C 1.705 176.363 174.600 0.097 0.000 1.192 602 S CA -1.039 57.206 58.200 0.077 0.000 0.994 602 S CB 1.091 64.331 63.200 0.067 0.000 1.012 602 S HN 0.556 nan 8.310 nan 0.000 0.550 603 L N 0.479 121.751 121.223 0.081 0.000 2.064 603 L HA -0.214 4.224 4.340 0.164 0.000 0.216 603 L C 2.832 179.805 176.870 0.172 0.000 1.077 603 L CA 1.935 56.824 54.840 0.082 0.000 0.766 603 L CB -1.356 40.699 42.059 -0.006 0.000 0.890 603 L HN 0.826 nan 8.230 nan 0.000 0.435 604 T N -1.313 113.408 114.554 0.279 0.000 2.643 604 T HA -0.193 4.256 4.350 0.164 0.000 0.264 604 T C 1.519 176.387 174.700 0.280 0.000 1.045 604 T CA 1.433 63.822 62.100 0.482 0.000 1.155 604 T CB -0.306 68.909 68.868 0.577 0.000 0.863 604 T HN 0.339 nan 8.240 nan 0.000 0.420 605 D N 0.697 121.211 120.400 0.190 0.000 2.228 605 D HA -0.072 4.666 4.640 0.164 0.000 0.203 605 D C 1.835 178.208 176.300 0.122 0.000 0.988 605 D CA 0.717 54.798 54.000 0.134 0.000 0.864 605 D CB -0.202 40.659 40.800 0.100 0.000 0.928 605 D HN 0.239 nan 8.370 nan 0.000 0.469 606 I N 0.162 120.806 120.570 0.123 0.000 2.928 606 I HA -0.081 4.188 4.170 0.164 0.000 0.266 606 I C 1.945 178.115 176.117 0.089 0.000 1.234 606 I CA 0.605 61.960 61.300 0.091 0.000 1.483 606 I CB 0.191 38.234 38.000 0.072 0.000 1.097 606 I HN -0.088 nan 8.210 nan 0.000 0.455 607 L N -1.216 120.092 121.223 0.142 0.000 2.408 607 L HA 0.151 4.590 4.340 0.164 0.000 0.215 607 L C 1.504 178.507 176.870 0.221 0.000 1.081 607 L CA 0.395 55.312 54.840 0.127 0.000 0.840 607 L CB -0.234 41.946 42.059 0.202 0.000 1.002 607 L HN 0.260 nan 8.230 nan 0.000 0.468 608 S N -0.969 114.861 115.700 0.216 0.000 2.677 608 S HA 0.788 5.357 4.470 0.164 0.000 0.290 608 S C 0.290 174.978 174.600 0.147 0.000 1.124 608 S CA 0.022 58.342 58.200 0.200 0.000 1.017 608 S CB 1.467 64.755 63.200 0.148 0.000 1.215 608 S HN 0.366 nan 8.310 nan 0.000 0.524 609 G N 0.436 109.309 108.800 0.121 0.000 2.746 609 G HA2 -0.155 3.904 3.960 0.164 0.000 0.685 609 G HA3 -0.155 3.904 3.960 0.164 0.000 0.685 609 G C 0.110 175.075 174.900 0.108 0.000 1.350 609 G CA 0.109 45.267 45.100 0.096 0.000 0.837 609 G HN 0.873 nan 8.290 nan 0.000 0.564 610 K N -0.181 120.273 120.400 0.089 0.000 2.020 610 K HA -0.129 4.289 4.320 0.164 0.000 0.212 610 K C 1.356 178.015 176.600 0.097 0.000 1.050 610 K CA 2.170 58.515 56.287 0.097 0.000 0.929 610 K CB -0.177 32.368 32.500 0.075 0.000 0.714 610 K HN 0.610 nan 8.250 nan 0.000 0.443 611 Q N -0.038 119.811 119.800 0.081 0.000 2.788 611 Q HA 0.275 4.714 4.340 0.164 0.000 0.285 611 Q C -0.181 175.867 176.000 0.079 0.000 1.063 611 Q CA -0.683 55.165 55.803 0.076 0.000 0.958 611 Q CB 1.816 30.588 28.738 0.057 0.000 1.211 611 Q HN 0.261 nan 8.270 nan 0.000 0.478 612 G N 0.583 109.443 108.800 0.101 0.000 2.945 612 G HA2 0.209 4.267 3.960 0.164 0.000 0.156 612 G HA3 0.209 4.267 3.960 0.164 0.000 0.156 612 G C 0.678 175.630 174.900 0.088 0.000 1.375 612 G CA -0.277 44.884 45.100 0.101 0.000 1.039 612 G HN 0.181 nan 8.290 nan 0.000 0.586 613 R N -1.420 119.123 120.500 0.072 0.000 2.195 613 R HA 0.255 4.693 4.340 0.164 0.000 0.197 613 R C 2.128 178.459 176.300 0.051 0.000 0.990 613 R CA 0.071 56.181 56.100 0.017 0.000 1.048 613 R CB -0.525 29.732 30.300 -0.072 0.000 0.997 613 R HN 0.406 nan 8.270 nan 0.000 0.502 614 F N 0.982 120.998 119.950 0.110 0.000 2.259 614 F HA -0.003 4.622 4.527 0.162 0.000 0.298 614 F C 2.128 177.980 175.800 0.087 0.000 1.088 614 F CA 0.910 58.974 58.000 0.107 0.000 1.358 614 F CB -0.006 39.074 39.000 0.133 0.000 1.040 614 F HN -0.154 nan 8.300 nan 0.000 0.505 615 R N 0.193 120.862 120.500 0.282 0.000 2.310 615 R HA -0.006 4.433 4.340 0.164 0.000 0.202 615 R C 1.857 178.235 176.300 0.128 0.000 0.933 615 R CA 0.396 56.608 56.100 0.186 0.000 1.054 615 R CB -0.351 30.053 30.300 0.174 0.000 0.985 615 R HN 0.289 nan 8.270 nan 0.000 0.489 616 Q N -0.052 119.820 119.800 0.121 0.000 2.033 616 Q HA -0.013 4.426 4.340 0.164 0.000 0.196 616 Q C 0.988 177.029 176.000 0.068 0.000 0.970 616 Q CA 1.977 57.827 55.803 0.079 0.000 0.828 616 Q CB -0.215 28.559 28.738 0.062 0.000 0.895 616 Q HN 0.234 nan 8.270 nan 0.000 0.440 617 N N -0.590 118.158 118.700 0.081 0.000 2.519 617 N HA -0.063 4.775 4.740 0.164 0.000 0.186 617 N C 0.895 176.434 175.510 0.049 0.000 1.062 617 N CA 0.920 54.007 53.050 0.062 0.000 0.910 617 N CB 0.091 38.623 38.487 0.076 0.000 0.958 617 N HN 0.305 nan 8.380 nan 0.000 0.445 618 L N -0.853 120.405 121.223 0.058 0.000 2.435 618 L HA 0.226 4.664 4.340 0.164 0.000 0.195 618 L C 1.424 178.311 176.870 0.028 0.000 1.072 618 L CA 0.471 55.334 54.840 0.039 0.000 0.833 618 L CB -0.393 41.692 42.059 0.043 0.000 1.081 618 L HN 0.029 nan 8.230 nan 0.000 0.485 619 L N 0.617 121.861 121.223 0.035 0.000 2.357 619 L HA -0.014 4.424 4.340 0.164 0.000 0.220 619 L C 1.065 177.947 176.870 0.021 0.000 1.123 619 L CA 1.642 56.498 54.840 0.027 0.000 0.782 619 L CB -2.050 40.032 42.059 0.039 0.000 0.910 619 L HN 0.631 nan 8.230 nan 0.000 0.442 620 G N -0.632 108.180 108.800 0.020 0.000 2.498 620 G HA2 -0.047 4.011 3.960 0.164 0.000 0.651 620 G HA3 -0.047 4.011 3.960 0.164 0.000 0.651 620 G C -0.796 174.112 174.900 0.012 0.000 1.284 620 G CA -0.602 44.505 45.100 0.013 0.000 0.950 620 G HN 0.062 nan 8.290 nan 0.000 0.511 621 K N -1.049 119.354 120.400 0.005 0.000 2.999 621 K HA 0.318 4.737 4.320 0.164 0.000 0.295 621 K C -0.374 176.223 176.600 -0.005 0.000 1.082 621 K CA -0.845 55.444 56.287 0.003 0.000 0.816 621 K CB 0.746 33.248 32.500 0.003 0.000 1.492 621 K HN 0.833 nan 8.250 nan 0.000 0.362 622 R N 0.658 121.156 120.500 -0.004 0.000 2.490 622 R HA 0.440 4.878 4.340 0.164 0.000 0.280 622 R C -0.070 176.216 176.300 -0.023 0.000 1.077 622 R CA -0.611 55.485 56.100 -0.007 0.000 1.065 622 R CB 0.562 30.860 30.300 -0.002 0.000 1.003 622 R HN 0.179 nan 8.270 nan 0.000 0.470 623 V N 2.321 122.214 119.914 -0.034 0.000 2.532 623 V HA 0.135 4.353 4.120 0.164 0.000 0.295 623 V C 0.299 176.372 176.094 -0.035 0.000 1.041 623 V CA -0.785 61.482 62.300 -0.055 0.000 0.926 623 V CB 1.660 33.381 31.823 -0.170 0.000 0.992 623 V HN 0.658 nan 8.190 nan 0.000 0.457 624 D N 1.481 121.863 120.400 -0.029 0.000 2.344 624 D HA 0.305 5.043 4.640 0.164 0.000 0.244 624 D C -0.396 175.876 176.300 -0.046 0.000 1.134 624 D CA 0.201 54.105 54.000 -0.160 0.000 0.930 624 D CB 0.601 41.247 40.800 -0.257 0.000 1.175 624 D HN 0.609 nan 8.370 nan 0.000 0.437 625 Y N -0.983 119.308 120.300 -0.015 0.000 3.018 625 Y HA -0.265 4.385 4.550 0.166 0.000 0.181 625 Y C 0.503 176.414 175.900 0.017 0.000 1.542 625 Y CA 0.251 58.327 58.100 -0.040 0.000 0.975 625 Y CB -1.959 36.457 38.460 -0.073 0.000 1.379 625 Y HN 0.248 nan 8.280 nan 0.000 0.423 626 S N -0.658 115.107 115.700 0.108 0.000 2.697 626 S HA 1.024 5.593 4.470 0.164 0.000 0.289 626 S C -0.014 174.617 174.600 0.052 0.000 1.149 626 S CA -0.298 58.019 58.200 0.194 0.000 0.850 626 S CB 2.868 66.205 63.200 0.229 0.000 1.151 626 S HN 1.372 nan 8.310 nan 0.000 0.491 627 G N 0.023 108.825 108.800 0.004 0.000 2.387 627 G HA2 0.629 4.687 3.960 0.164 0.000 0.294 627 G HA3 0.629 4.687 3.960 0.164 0.000 0.294 627 G C -1.943 172.912 174.900 -0.074 0.000 1.509 627 G CA -0.884 44.198 45.100 -0.030 0.000 0.806 627 G HN 1.119 nan 8.290 nan 0.000 0.546 628 R N -1.352 119.111 120.500 -0.062 0.000 2.663 628 R HA 0.874 5.313 4.340 0.164 0.000 0.267 628 R C -0.931 175.333 176.300 -0.059 0.000 1.038 628 R CA -0.749 55.304 56.100 -0.078 0.000 0.886 628 R CB 1.667 31.928 30.300 -0.065 0.000 1.249 628 R HN 1.098 nan 8.270 nan 0.000 0.463 629 S N 0.510 116.170 115.700 -0.066 0.000 2.727 629 S HA 0.489 5.058 4.470 0.164 0.000 0.278 629 S C -1.287 173.283 174.600 -0.050 0.000 1.186 629 S CA -0.671 57.499 58.200 -0.049 0.000 0.836 629 S CB 1.909 65.082 63.200 -0.045 0.000 1.186 629 S HN 0.401 nan 8.310 nan 0.000 0.499 630 V N 3.628 123.523 119.914 -0.033 0.000 2.583 630 V HA 0.405 4.623 4.120 0.164 0.000 0.287 630 V C 0.361 176.453 176.094 -0.005 0.000 1.051 630 V CA -0.676 61.612 62.300 -0.021 0.000 1.010 630 V CB 1.077 32.898 31.823 -0.004 0.000 0.988 630 V HN 0.688 nan 8.190 nan 0.000 0.478 631 I N 4.903 125.482 120.570 0.014 0.000 2.499 631 I HA 0.718 4.986 4.170 0.164 0.000 0.296 631 I C -0.440 175.868 176.117 0.318 0.000 0.992 631 I CA -0.522 60.833 61.300 0.093 0.000 1.297 631 I CB 1.307 39.305 38.000 -0.002 0.000 1.410 631 I HN 0.291 nan 8.210 nan 0.000 0.507 632 V N 6.062 126.137 119.914 0.269 0.000 2.841 632 V HA 0.322 4.540 4.120 0.164 0.000 0.310 632 V C -0.067 175.774 176.094 -0.422 0.000 1.090 632 V CA -1.001 61.269 62.300 -0.049 0.000 0.930 632 V CB 2.016 33.775 31.823 -0.106 0.000 1.014 632 V HN 0.735 nan 8.190 nan 0.000 0.425 633 V N 3.412 122.503 119.914 -1.371 0.000 2.655 633 V HA 0.557 4.776 4.120 0.164 0.000 0.300 633 V C 0.842 176.679 176.094 -0.428 0.000 1.044 633 V CA 1.013 62.709 62.300 -1.007 0.000 1.095 633 V CB 1.130 32.275 31.823 -1.130 0.000 0.952 633 V HN 1.108 nan 8.190 nan 0.000 0.485 634 G N 7.173 115.826 108.800 -0.245 0.000 3.678 634 G HA2 0.470 4.529 3.960 0.164 0.000 0.344 634 G HA3 0.470 4.529 3.960 0.164 0.000 0.344 634 G C -1.818 172.999 174.900 -0.139 0.000 1.450 634 G CA -0.822 44.178 45.100 -0.166 0.000 1.078 634 G HN 0.686 nan 8.290 nan 0.000 0.474 635 P HA -0.288 nan 4.420 nan 0.000 0.217 635 P C 2.160 179.511 177.300 0.085 0.000 1.162 635 P CA 1.485 64.557 63.100 -0.047 0.000 0.901 635 P CB 0.280 31.886 31.700 -0.157 0.000 0.793 636 Q N -0.017 119.812 119.800 0.048 0.000 2.119 636 Q HA -0.117 4.321 4.340 0.164 0.000 0.201 636 Q C 1.053 177.098 176.000 0.075 0.000 0.972 636 Q CA 0.783 56.637 55.803 0.086 0.000 0.847 636 Q CB -1.411 27.353 28.738 0.043 0.000 0.903 636 Q HN 0.221 nan 8.270 nan 0.000 0.433 637 L N 2.706 123.955 121.223 0.044 0.000 2.573 637 L HA -0.050 4.388 4.340 0.164 0.000 0.290 637 L C -0.164 176.837 176.870 0.219 0.000 1.247 637 L CA 0.776 55.671 54.840 0.091 0.000 0.876 637 L CB 0.434 42.525 42.059 0.053 0.000 1.123 637 L HN 0.010 nan 8.230 nan 0.000 0.505 638 K N 5.182 125.754 120.400 0.286 0.000 2.138 638 K HA 0.182 4.600 4.320 0.164 0.000 0.263 638 K C 0.920 177.783 176.600 0.438 0.000 0.965 638 K CA -0.735 55.772 56.287 0.367 0.000 0.868 638 K CB 1.451 34.081 32.500 0.215 0.000 1.083 638 K HN 0.609 nan 8.250 nan 0.000 0.443 639 L N 0.557 121.891 121.223 0.185 0.000 2.302 639 L HA -0.265 4.173 4.340 0.164 0.000 0.218 639 L C 1.926 178.893 176.870 0.163 0.000 1.100 639 L CA 1.922 56.705 54.840 -0.095 0.000 0.774 639 L CB -1.878 40.010 42.059 -0.286 0.000 0.896 639 L HN 0.772 nan 8.230 nan 0.000 0.439 640 H N 0.466 119.578 119.070 0.071 0.000 2.326 640 H HA 0.017 4.671 4.556 0.164 0.000 0.301 640 H C 1.161 176.562 175.328 0.123 0.000 1.081 640 H CA 1.698 57.755 56.048 0.015 0.000 1.334 640 H CB 0.082 29.848 29.762 0.007 0.000 1.385 640 H HN 0.726 nan 8.280 nan 0.000 0.504 641 Q N -0.763 119.149 119.800 0.186 0.000 2.293 641 Q HA 0.497 4.936 4.340 0.164 0.000 0.216 641 Q C -0.761 175.401 176.000 0.269 0.000 1.003 641 Q CA -0.705 55.193 55.803 0.159 0.000 0.995 641 Q CB 2.160 30.971 28.738 0.121 0.000 1.172 641 Q HN 0.395 nan 8.270 nan 0.000 0.518 642 C N -2.003 117.352 119.300 0.092 0.000 3.006 642 C HA 0.792 5.350 4.460 0.164 0.000 0.359 642 C C 0.125 175.077 174.990 -0.063 0.000 1.103 642 C CA -0.628 58.341 59.018 -0.082 0.000 1.286 642 C CB 0.707 28.279 27.740 -0.279 0.000 1.694 642 C HN 0.971 nan 8.230 nan 0.000 0.511 643 G N 2.862 111.612 108.800 -0.083 0.000 2.360 643 G HA2 0.515 4.574 3.960 0.164 0.000 0.279 643 G HA3 0.515 4.574 3.960 0.164 0.000 0.279 643 G C -1.048 173.805 174.900 -0.077 0.000 1.189 643 G CA -0.067 44.990 45.100 -0.071 0.000 0.941 643 G HN 1.193 nan 8.290 nan 0.000 0.445 644 L N 4.844 126.029 121.223 -0.065 0.000 2.362 644 L HA 0.591 5.030 4.340 0.164 0.000 0.275 644 L C -2.441 174.388 176.870 -0.068 0.000 0.998 644 L CA -2.460 52.348 54.840 -0.054 0.000 0.820 644 L CB 2.637 44.685 42.059 -0.019 0.000 1.270 644 L HN 0.200 nan 8.230 nan 0.000 0.415 645 P HA 0.164 nan 4.420 nan 0.000 0.270 645 P C -0.276 176.960 177.300 -0.107 0.000 1.242 645 P CA -0.238 62.814 63.100 -0.079 0.000 0.768 645 P CB 0.495 32.163 31.700 -0.053 0.000 0.820 646 K N 4.601 124.884 120.400 -0.194 0.000 2.052 646 K HA -0.278 4.140 4.320 0.164 0.000 0.215 646 K C 1.516 177.960 176.600 -0.260 0.000 1.053 646 K CA 1.576 57.662 56.287 -0.336 0.000 0.934 646 K CB -0.519 31.599 32.500 -0.637 0.000 0.717 646 K HN 0.160 nan 8.250 nan 0.000 0.450 647 R N 0.466 120.864 120.500 -0.170 0.000 2.119 647 R HA -0.098 4.341 4.340 0.164 0.000 0.246 647 R C 2.559 178.870 176.300 0.018 0.000 1.146 647 R CA 2.355 58.445 56.100 -0.016 0.000 0.962 647 R CB -0.518 29.802 30.300 0.032 0.000 0.863 647 R HN 0.322 nan 8.270 nan 0.000 0.442 648 M N -0.255 119.345 119.600 -0.000 0.000 2.132 648 M HA -0.080 4.499 4.480 0.164 0.000 0.263 648 M C 2.532 178.876 176.300 0.073 0.000 1.065 648 M CA 1.593 56.909 55.300 0.027 0.000 1.122 648 M CB -0.317 32.288 32.600 0.007 0.000 1.365 648 M HN 0.325 nan 8.290 nan 0.000 0.411 649 A N 0.603 123.471 122.820 0.081 0.000 1.883 649 A HA -0.198 4.220 4.320 0.164 0.000 0.217 649 A C 2.046 179.790 177.584 0.267 0.000 1.186 649 A CA 1.455 53.631 52.037 0.233 0.000 0.624 649 A CB -0.961 18.097 19.000 0.096 0.000 0.822 649 A HN 0.400 nan 8.150 nan 0.000 0.444 650 L N -0.156 121.146 121.223 0.133 0.000 1.965 650 L HA -0.265 4.174 4.340 0.164 0.000 0.226 650 L C 2.440 179.435 176.870 0.209 0.000 1.083 650 L CA 2.693 57.649 54.840 0.193 0.000 0.790 650 L CB -0.668 41.524 42.059 0.221 0.000 0.898 650 L HN 0.431 nan 8.230 nan 0.000 0.439 651 E N -0.824 119.468 120.200 0.153 0.000 2.085 651 E HA -0.205 4.243 4.350 0.164 0.000 0.194 651 E C 2.240 178.908 176.600 0.114 0.000 0.994 651 E CA 1.263 57.734 56.400 0.117 0.000 0.801 651 E CB -0.377 29.366 29.700 0.072 0.000 0.743 651 E HN 0.317 nan 8.360 nan 0.000 0.453 652 L N -0.253 121.030 121.223 0.099 0.000 1.989 652 L HA -0.170 4.268 4.340 0.164 0.000 0.211 652 L C 1.662 178.499 176.870 -0.056 0.000 1.071 652 L CA 1.583 56.417 54.840 -0.011 0.000 0.749 652 L CB -0.745 41.259 42.059 -0.092 0.000 0.890 652 L HN 0.080 nan 8.230 nan 0.000 0.431 653 F N -0.716 119.318 119.950 0.140 0.000 2.898 653 F HA 0.164 4.789 4.527 0.163 0.000 0.290 653 F C 1.766 177.700 175.800 0.223 0.000 1.195 653 F CA -0.201 57.900 58.000 0.168 0.000 1.387 653 F CB -0.625 38.418 39.000 0.072 0.000 0.976 653 F HN 0.014 nan 8.300 nan 0.000 0.510 654 K N 1.370 121.962 120.400 0.321 0.000 1.978 654 K HA -0.164 4.254 4.320 0.164 0.000 0.214 654 K C -0.725 176.027 176.600 0.254 0.000 1.049 654 K CA 1.829 58.270 56.287 0.255 0.000 0.939 654 K CB -0.927 31.682 32.500 0.181 0.000 0.721 654 K HN 0.138 nan 8.250 nan 0.000 0.441 655 P HA -0.158 nan 4.420 nan 0.000 0.213 655 P C 1.045 178.450 177.300 0.176 0.000 1.170 655 P CA 1.456 64.670 63.100 0.190 0.000 0.902 655 P CB -0.097 31.724 31.700 0.200 0.000 0.789 656 F N -1.246 118.795 119.950 0.152 0.000 2.154 656 F HA -0.200 4.423 4.527 0.161 0.000 0.301 656 F C 2.210 178.088 175.800 0.129 0.000 1.087 656 F CA 1.216 59.303 58.000 0.145 0.000 1.274 656 F CB -1.074 38.056 39.000 0.216 0.000 1.009 656 F HN -0.137 nan 8.300 nan 0.000 0.485 657 L N -0.323 121.098 121.223 0.331 0.000 2.027 657 L HA -0.148 4.290 4.340 0.164 0.000 0.206 657 L C 2.117 179.078 176.870 0.153 0.000 1.074 657 L CA 1.501 56.477 54.840 0.227 0.000 0.745 657 L CB -0.724 41.473 42.059 0.231 0.000 0.898 657 L HN 0.071 nan 8.230 nan 0.000 0.433 658 L N -0.152 121.152 121.223 0.134 0.000 1.976 658 L HA -0.344 4.094 4.340 0.164 0.000 0.223 658 L C 2.693 179.600 176.870 0.061 0.000 1.081 658 L CA 2.090 56.981 54.840 0.085 0.000 0.784 658 L CB -0.876 41.224 42.059 0.070 0.000 0.896 658 L HN 0.296 nan 8.230 nan 0.000 0.438 659 K N 0.738 121.163 120.400 0.042 0.000 2.015 659 K HA -0.277 4.141 4.320 0.164 0.000 0.216 659 K C 2.048 178.671 176.600 0.038 0.000 1.052 659 K CA 1.985 58.283 56.287 0.019 0.000 0.937 659 K CB -0.342 32.146 32.500 -0.020 0.000 0.719 659 K HN -0.062 nan 8.250 nan 0.000 0.446 660 K N -0.240 120.200 120.400 0.066 0.000 2.211 660 K HA -0.047 4.371 4.320 0.164 0.000 0.204 660 K C 1.971 178.605 176.600 0.056 0.000 1.047 660 K CA 1.553 57.881 56.287 0.068 0.000 0.935 660 K CB -0.077 32.481 32.500 0.096 0.000 0.728 660 K HN 0.227 nan 8.250 nan 0.000 0.452 661 M N -0.150 119.485 119.600 0.059 0.000 2.117 661 M HA -0.182 4.397 4.480 0.164 0.000 0.262 661 M C 2.119 178.438 176.300 0.030 0.000 1.065 661 M CA 1.721 57.049 55.300 0.047 0.000 1.114 661 M CB -0.615 32.014 32.600 0.049 0.000 1.361 661 M HN 0.313 nan 8.290 nan 0.000 0.408 662 E N 0.281 120.496 120.200 0.026 0.000 2.152 662 E HA -0.150 4.298 4.350 0.164 0.000 0.192 662 E C 1.793 178.402 176.600 0.015 0.000 0.983 662 E CA 0.559 56.969 56.400 0.017 0.000 0.818 662 E CB 0.230 29.938 29.700 0.013 0.000 0.758 662 E HN 0.359 nan 8.360 nan 0.000 0.467 663 E N 0.626 120.837 120.200 0.019 0.000 2.204 663 E HA -0.108 4.341 4.350 0.164 0.000 0.195 663 E C -0.018 176.591 176.600 0.015 0.000 0.990 663 E CA 0.959 57.369 56.400 0.016 0.000 0.821 663 E CB 0.175 29.889 29.700 0.023 0.000 0.750 663 E HN 0.201 nan 8.360 nan 0.000 0.477 664 K N -0.789 119.621 120.400 0.018 0.000 2.345 664 K HA 0.310 4.728 4.320 0.164 0.000 0.255 664 K C 0.773 177.380 176.600 0.012 0.000 0.934 664 K CA -0.138 56.157 56.287 0.014 0.000 0.801 664 K CB 1.821 34.333 32.500 0.019 0.000 1.137 664 K HN -0.103 nan 8.250 nan 0.000 0.424 665 G N 2.525 111.329 108.800 0.007 0.000 2.790 665 G HA2 -0.248 3.810 3.960 0.164 0.000 0.220 665 G HA3 -0.248 3.810 3.960 0.164 0.000 0.220 665 G C 1.132 176.034 174.900 0.003 0.000 1.095 665 G CA 0.792 45.895 45.100 0.004 0.000 0.713 665 G HN 0.680 nan 8.290 nan 0.000 0.603 666 I N 0.385 120.958 120.570 0.005 0.000 2.315 666 I HA -0.062 4.207 4.170 0.164 0.000 0.251 666 I C 1.567 177.684 176.117 0.000 0.000 1.125 666 I CA 0.996 62.296 61.300 0.001 0.000 1.392 666 I CB -0.203 37.800 38.000 0.005 0.000 1.065 666 I HN 0.307 nan 8.210 nan 0.000 0.424 667 A N -0.700 122.123 122.820 0.006 0.000 2.549 667 A HA 0.566 4.985 4.320 0.164 0.000 0.297 667 A C -2.241 175.346 177.584 0.006 0.000 1.061 667 A CA -0.968 51.072 52.037 0.006 0.000 0.690 667 A CB 1.030 20.037 19.000 0.011 0.000 1.287 667 A HN -0.185 nan 8.150 nan 0.000 0.402 668 P HA 0.053 nan 4.420 nan 0.000 0.217 668 P C -0.017 177.286 177.300 0.005 0.000 1.154 668 P CA 1.031 64.133 63.100 0.003 0.000 0.841 668 P CB 0.226 31.927 31.700 0.002 0.000 0.790 669 N N -2.849 115.855 118.700 0.006 0.000 2.853 669 N HA 0.094 4.932 4.740 0.164 0.000 0.258 669 N C 0.669 176.185 175.510 0.011 0.000 1.444 669 N CA -0.551 52.504 53.050 0.007 0.000 0.837 669 N CB 1.208 39.697 38.487 0.005 0.000 1.489 669 N HN -0.343 nan 8.380 nan 0.000 0.529 670 V N 1.142 121.063 119.914 0.011 0.000 2.233 670 V HA -0.265 3.954 4.120 0.164 0.000 0.247 670 V C 2.358 178.463 176.094 0.018 0.000 1.050 670 V CA 1.995 64.304 62.300 0.016 0.000 1.010 670 V CB -1.007 30.824 31.823 0.013 0.000 0.637 670 V HN 0.662 nan 8.190 nan 0.000 0.444 671 K N 0.809 121.216 120.400 0.013 0.000 2.160 671 K HA -0.197 4.221 4.320 0.164 0.000 0.206 671 K C 2.301 178.908 176.600 0.011 0.000 1.047 671 K CA 1.633 57.927 56.287 0.012 0.000 0.930 671 K CB -0.525 31.979 32.500 0.008 0.000 0.720 671 K HN 0.527 nan 8.250 nan 0.000 0.450 672 A N 1.619 124.445 122.820 0.010 0.000 1.855 672 A HA -0.062 4.357 4.320 0.164 0.000 0.215 672 A C 2.445 180.036 177.584 0.010 0.000 1.191 672 A CA 1.647 53.688 52.037 0.007 0.000 0.613 672 A CB -0.765 18.238 19.000 0.005 0.000 0.829 672 A HN 0.314 nan 8.150 nan 0.000 0.442 673 A N -0.445 122.384 122.820 0.016 0.000 1.940 673 A HA -0.215 4.203 4.320 0.164 0.000 0.219 673 A C 2.256 179.857 177.584 0.028 0.000 1.176 673 A CA 1.892 53.944 52.037 0.024 0.000 0.631 673 A CB -0.503 18.517 19.000 0.034 0.000 0.814 673 A HN 0.548 nan 8.150 nan 0.000 0.446 674 R N -0.553 119.965 120.500 0.029 0.000 2.070 674 R HA -0.105 4.333 4.340 0.164 0.000 0.233 674 R C 2.484 178.797 176.300 0.022 0.000 1.137 674 R CA 1.574 57.693 56.100 0.031 0.000 0.945 674 R CB -0.236 30.081 30.300 0.029 0.000 0.845 674 R HN 0.556 nan 8.270 nan 0.000 0.430 675 R N -0.263 120.245 120.500 0.014 0.000 2.127 675 R HA -0.123 4.315 4.340 0.164 0.000 0.238 675 R C 2.263 178.565 176.300 0.003 0.000 1.134 675 R CA 1.149 57.254 56.100 0.007 0.000 0.975 675 R CB -0.309 29.993 30.300 0.003 0.000 0.865 675 R HN 0.248 nan 8.270 nan 0.000 0.447 676 M N 0.780 120.381 119.600 0.002 0.000 2.202 676 M HA -0.111 4.467 4.480 0.164 0.000 0.262 676 M C 1.765 178.058 176.300 -0.011 0.000 1.063 676 M CA 1.672 56.967 55.300 -0.008 0.000 1.097 676 M CB -0.279 32.317 32.600 -0.007 0.000 1.382 676 M HN 0.149 nan 8.290 nan 0.000 0.413 677 L N -0.926 120.302 121.223 0.009 0.000 2.607 677 L HA 0.008 4.446 4.340 0.164 0.000 0.228 677 L C 2.090 178.973 176.870 0.021 0.000 1.123 677 L CA -0.023 54.828 54.840 0.019 0.000 0.890 677 L CB -0.565 41.525 42.059 0.052 0.000 1.103 677 L HN 0.309 nan 8.230 nan 0.000 0.468 678 E N 1.478 121.687 120.200 0.014 0.000 2.051 678 E HA -0.222 4.227 4.350 0.164 0.000 0.192 678 E C 1.758 178.363 176.600 0.009 0.000 0.991 678 E CA 1.312 57.720 56.400 0.013 0.000 0.799 678 E CB 0.071 29.777 29.700 0.009 0.000 0.748 678 E HN 0.464 nan 8.360 nan 0.000 0.449 679 R N -0.350 120.150 120.500 0.001 0.000 2.507 679 R HA 0.189 4.628 4.340 0.164 0.000 0.230 679 R C 0.430 176.724 176.300 -0.011 0.000 0.897 679 R CA -0.186 55.913 56.100 -0.002 0.000 1.006 679 R CB 0.473 30.770 30.300 -0.004 0.000 1.341 679 R HN 0.081 nan 8.270 nan 0.000 0.604 680 Q N 1.253 121.040 119.800 -0.021 0.000 2.286 680 Q HA -0.031 4.407 4.340 0.164 0.000 0.290 680 Q C 0.322 176.293 176.000 -0.049 0.000 1.049 680 Q CA 0.234 56.013 55.803 -0.039 0.000 0.923 680 Q CB 0.782 29.486 28.738 -0.056 0.000 1.183 680 Q HN 0.086 nan 8.270 nan 0.000 0.383 681 R N 2.568 123.038 120.500 -0.049 0.000 2.081 681 R HA -0.140 4.299 4.340 0.164 0.000 0.235 681 R C 0.662 176.917 176.300 -0.075 0.000 1.131 681 R CA 1.954 58.028 56.100 -0.042 0.000 0.960 681 R CB 0.137 30.419 30.300 -0.030 0.000 0.856 681 R HN 0.622 nan 8.270 nan 0.000 0.436 682 D N -2.155 118.156 120.400 -0.148 0.000 3.084 682 D HA 0.293 5.032 4.640 0.164 0.000 0.294 682 D C 0.593 176.544 176.300 -0.581 0.000 1.165 682 D CA 0.577 54.414 54.000 -0.271 0.000 1.008 682 D CB 0.735 41.414 40.800 -0.202 0.000 1.266 682 D HN 0.024 nan 8.370 nan 0.000 0.449 683 I N -0.311 119.993 120.570 -0.443 0.000 5.489 683 I HA -0.412 3.857 4.170 0.164 0.000 0.165 683 I C 0.502 176.271 176.117 -0.579 0.000 1.813 683 I CA 0.377 61.382 61.300 -0.492 0.000 2.013 683 I CB -1.019 36.600 38.000 -0.634 0.000 3.348 683 I HN 0.120 nan 8.210 nan 0.000 0.172 684 K N 0.487 120.538 120.400 -0.582 0.000 2.086 684 K HA -0.332 4.087 4.320 0.164 0.000 0.169 684 K C 1.050 177.416 176.600 -0.390 0.000 1.526 684 K CA 2.172 58.223 56.287 -0.394 0.000 0.602 684 K CB -0.944 31.443 32.500 -0.188 0.000 0.605 684 K HN 0.525 nan 8.250 nan 0.000 0.921 685 D N 0.748 121.089 120.400 -0.098 0.000 2.117 685 D HA -0.116 4.623 4.640 0.164 0.000 0.198 685 D C 1.502 177.845 176.300 0.072 0.000 0.982 685 D CA 2.017 56.052 54.000 0.058 0.000 0.828 685 D CB -0.399 40.432 40.800 0.052 0.000 0.967 685 D HN 0.545 nan 8.370 nan 0.000 0.464 686 E N 0.192 120.386 120.200 -0.010 0.000 2.047 686 E HA -0.109 4.339 4.350 0.164 0.000 0.191 686 E C 2.240 178.866 176.600 0.043 0.000 0.987 686 E CA 0.871 57.278 56.400 0.012 0.000 0.799 686 E CB -0.104 29.585 29.700 -0.019 0.000 0.752 686 E HN 0.147 nan 8.360 nan 0.000 0.449 687 V N 0.093 119.997 119.914 -0.017 0.000 2.427 687 V HA -0.209 4.010 4.120 0.164 0.000 0.248 687 V C 1.528 177.816 176.094 0.322 0.000 1.051 687 V CA 1.600 63.935 62.300 0.058 0.000 1.048 687 V CB -0.379 31.373 31.823 -0.119 0.000 0.666 687 V HN 0.447 nan 8.190 nan 0.000 0.456 688 W N -0.165 121.142 121.300 0.011 0.000 2.381 688 W HA -0.132 4.626 4.660 0.164 0.000 0.301 688 W C 2.369 178.888 176.519 -0.001 0.000 1.205 688 W CA 0.517 57.865 57.345 0.006 0.000 1.285 688 W CB -0.191 29.271 29.460 0.003 0.000 1.133 688 W HN 0.320 nan 8.180 nan 0.000 0.521 689 D N 0.377 120.926 120.400 0.248 0.000 2.123 689 D HA -0.175 4.563 4.640 0.164 0.000 0.196 689 D C 2.138 178.497 176.300 0.099 0.000 0.992 689 D CA 1.757 55.834 54.000 0.129 0.000 0.833 689 D CB -0.824 40.028 40.800 0.086 0.000 0.954 689 D HN 0.099 nan 8.370 nan 0.000 0.455 690 A N 0.912 123.802 122.820 0.117 0.000 1.855 690 A HA -0.130 4.288 4.320 0.164 0.000 0.215 690 A C 2.173 179.811 177.584 0.090 0.000 1.191 690 A CA 0.983 53.078 52.037 0.095 0.000 0.613 690 A CB -0.808 18.253 19.000 0.103 0.000 0.829 690 A HN 0.204 nan 8.150 nan 0.000 0.442 691 L N 0.080 121.378 121.223 0.126 0.000 1.970 691 L HA -0.189 4.250 4.340 0.164 0.000 0.212 691 L C 2.265 179.109 176.870 -0.044 0.000 1.071 691 L CA 2.834 57.709 54.840 0.058 0.000 0.751 691 L CB -0.920 41.188 42.059 0.082 0.000 0.889 691 L HN 0.518 nan 8.230 nan 0.000 0.432 692 E N -0.613 119.568 120.200 -0.032 0.000 2.273 692 E HA -0.278 4.170 4.350 0.164 0.000 0.198 692 E C 2.111 178.690 176.600 -0.034 0.000 1.002 692 E CA 1.555 57.919 56.400 -0.061 0.000 0.828 692 E CB -0.068 29.615 29.700 -0.029 0.000 0.747 692 E HN 0.656 nan 8.360 nan 0.000 0.491 693 E N -1.289 118.907 120.200 -0.006 0.000 2.122 693 E HA -0.063 4.385 4.350 0.164 0.000 0.190 693 E C 1.747 178.354 176.600 0.011 0.000 0.977 693 E CA 0.762 57.162 56.400 0.001 0.000 0.820 693 E CB 0.340 30.046 29.700 0.009 0.000 0.770 693 E HN 0.156 nan 8.360 nan 0.000 0.462 694 V N 1.230 121.144 119.914 -0.001 0.000 2.667 694 V HA -0.166 4.052 4.120 0.164 0.000 0.252 694 V C 2.162 178.181 176.094 -0.125 0.000 1.065 694 V CA 1.141 63.445 62.300 0.008 0.000 1.083 694 V CB -0.163 31.695 31.823 0.057 0.000 0.692 694 V HN 0.328 nan 8.190 nan 0.000 0.468 695 I N -0.860 119.562 120.570 -0.246 0.000 3.226 695 I HA -0.064 4.205 4.170 0.164 0.000 0.277 695 I C 2.186 178.203 176.117 -0.168 0.000 1.243 695 I CA 0.578 61.638 61.300 -0.400 0.000 1.459 695 I CB -0.163 37.517 38.000 -0.533 0.000 1.093 695 I HN 0.456 nan 8.210 nan 0.000 0.453 696 H N 1.448 120.431 119.070 -0.145 0.000 1.581 696 H HA -0.331 4.323 4.556 0.164 0.000 0.116 696 H C 1.603 176.893 175.328 -0.064 0.000 1.141 696 H CA 2.338 58.338 56.048 -0.079 0.000 1.848 696 H CB -1.049 28.687 29.762 -0.044 0.000 2.204 696 H HN 0.323 nan 8.280 nan 0.000 0.943 697 G N 0.729 109.274 108.800 -0.424 0.000 3.453 697 G HA2 0.163 4.221 3.960 0.164 0.000 0.263 697 G HA3 0.163 4.221 3.960 0.164 0.000 0.263 697 G C -0.166 174.620 174.900 -0.191 0.000 1.060 697 G CA -0.392 44.458 45.100 -0.418 0.000 0.793 697 G HN 0.253 nan 8.290 nan 0.000 0.532 698 K N 0.737 121.047 120.400 -0.151 0.000 2.168 698 K HA 0.491 4.910 4.320 0.164 0.000 0.258 698 K C 0.110 176.666 176.600 -0.073 0.000 1.010 698 K CA -0.282 55.945 56.287 -0.100 0.000 0.929 698 K CB 2.116 34.549 32.500 -0.112 0.000 0.998 698 K HN 0.150 nan 8.250 nan 0.000 0.479 699 V N -2.198 117.707 119.914 -0.016 0.000 3.102 699 V HA 0.753 4.971 4.120 0.164 0.000 0.312 699 V C -0.270 175.876 176.094 0.086 0.000 1.135 699 V CA -1.005 61.301 62.300 0.009 0.000 1.022 699 V CB 1.804 33.600 31.823 -0.045 0.000 1.056 699 V HN 0.567 nan 8.190 nan 0.000 0.436 700 V N 0.243 120.226 119.914 0.115 0.000 3.126 700 V HA 0.861 5.079 4.120 0.164 0.000 0.314 700 V C -0.753 175.424 176.094 0.138 0.000 1.138 700 V CA -0.950 61.425 62.300 0.125 0.000 1.034 700 V CB 1.614 33.523 31.823 0.143 0.000 1.075 700 V HN 0.943 nan 8.190 nan 0.000 0.442 701 L N 1.589 122.890 121.223 0.129 0.000 2.334 701 L HA 0.795 5.234 4.340 0.164 0.000 0.270 701 L C -0.552 176.378 176.870 0.101 0.000 1.018 701 L CA -0.540 54.396 54.840 0.160 0.000 0.811 701 L CB 1.276 43.438 42.059 0.172 0.000 1.271 701 L HN 0.511 nan 8.230 nan 0.000 0.443 702 L N 1.388 122.695 121.223 0.141 0.000 2.401 702 L HA 0.550 4.988 4.340 0.164 0.000 0.266 702 L C -0.578 176.287 176.870 -0.009 0.000 0.991 702 L CA -0.202 54.618 54.840 -0.034 0.000 0.818 702 L CB 1.912 43.882 42.059 -0.148 0.000 1.321 702 L HN 0.697 nan 8.230 nan 0.000 0.413 703 N N 0.839 119.465 118.700 -0.124 0.000 2.240 703 N HA 0.670 5.509 4.740 0.164 0.000 0.302 703 N C -1.233 174.205 175.510 -0.119 0.000 1.106 703 N CA -0.748 52.290 53.050 -0.020 0.000 0.778 703 N CB 2.121 40.622 38.487 0.024 0.000 1.431 703 N HN 0.531 nan 8.380 nan 0.000 0.479 704 R N 2.127 122.634 120.500 0.012 0.000 2.787 704 R HA 0.656 5.095 4.340 0.164 0.000 0.271 704 R C 0.573 176.887 176.300 0.023 0.000 0.993 704 R CA 0.100 56.192 56.100 -0.012 0.000 0.993 704 R CB 0.933 31.333 30.300 0.167 0.000 1.155 704 R HN 0.657 nan 8.270 nan 0.000 0.486 705 A N 3.458 126.271 122.820 -0.012 0.000 2.573 705 A HA -0.086 4.332 4.320 0.164 0.000 0.211 705 A C -1.279 176.310 177.584 0.008 0.000 1.231 705 A CA 1.381 53.412 52.037 -0.010 0.000 0.977 705 A CB -2.077 16.908 19.000 -0.024 0.000 0.761 705 A HN 0.734 nan 8.150 nan 0.000 0.549 706 P HA 0.305 nan 4.420 nan 0.000 0.282 706 P C -1.003 176.304 177.300 0.011 0.000 1.274 706 P CA 0.133 63.233 63.100 -0.001 0.000 0.770 706 P CB 0.885 32.574 31.700 -0.019 0.000 0.867 707 T N 4.453 119.025 114.554 0.030 0.000 2.987 707 T HA 0.147 4.595 4.350 0.164 0.000 0.288 707 T C 1.384 176.093 174.700 0.015 0.000 0.981 707 T CA 0.017 62.150 62.100 0.055 0.000 1.031 707 T CB -0.353 68.562 68.868 0.079 0.000 0.976 707 T HN 0.231 nan 8.240 nan 0.000 0.612 708 L N 1.883 123.074 121.223 -0.053 0.000 2.145 708 L HA 0.186 4.624 4.340 0.164 0.000 0.201 708 L C 1.545 178.393 176.870 -0.036 0.000 1.075 708 L CA 0.665 55.442 54.840 -0.105 0.000 0.773 708 L CB -0.164 41.754 42.059 -0.236 0.000 0.936 708 L HN 0.741 nan 8.230 nan 0.000 0.451 709 H N -2.620 116.442 119.070 -0.013 0.000 2.864 709 H HA 0.332 4.987 4.556 0.164 0.000 0.354 709 H C 0.627 175.936 175.328 -0.032 0.000 1.208 709 H CA -0.923 55.106 56.048 -0.032 0.000 1.191 709 H CB 1.174 30.907 29.762 -0.048 0.000 1.889 709 H HN -0.108 nan 8.280 nan 0.000 0.574 710 R N 0.352 120.910 120.500 0.096 0.000 2.170 710 R HA -0.065 4.373 4.340 0.164 0.000 0.242 710 R C 0.878 177.157 176.300 -0.035 0.000 1.145 710 R CA 1.641 57.749 56.100 0.013 0.000 0.984 710 R CB -0.384 29.895 30.300 -0.035 0.000 0.869 710 R HN 0.636 nan 8.270 nan 0.000 0.455 711 L N 0.953 122.047 121.223 -0.216 0.000 2.610 711 L HA 0.108 4.546 4.340 0.164 0.000 0.232 711 L C 2.179 178.925 176.870 -0.207 0.000 1.149 711 L CA 0.593 55.239 54.840 -0.322 0.000 0.872 711 L CB -0.413 41.256 42.059 -0.649 0.000 0.992 711 L HN 0.529 nan 8.230 nan 0.000 0.447 712 G N 0.875 109.777 108.800 0.170 0.000 2.498 712 G HA2 -0.064 3.995 3.960 0.164 0.000 0.219 712 G HA3 -0.064 3.995 3.960 0.164 0.000 0.219 712 G C 0.709 175.900 174.900 0.486 0.000 1.119 712 G CA 0.372 45.634 45.100 0.269 0.000 0.766 712 G HN 0.342 nan 8.290 nan 0.000 0.552 713 I N -0.604 120.182 120.570 0.361 0.000 2.534 713 I HA 0.360 4.629 4.170 0.164 0.000 0.288 713 I C -0.789 175.535 176.117 0.346 0.000 1.077 713 I CA -0.573 60.992 61.300 0.443 0.000 1.051 713 I CB 2.292 40.444 38.000 0.253 0.000 1.234 713 I HN -0.068 nan 8.210 nan 0.000 0.425 714 Q N 3.490 123.598 119.800 0.514 0.000 2.451 714 Q HA 0.839 5.278 4.340 0.164 0.000 0.281 714 Q C -1.029 175.076 176.000 0.176 0.000 1.099 714 Q CA -1.105 54.863 55.803 0.274 0.000 0.806 714 Q CB 3.165 32.127 28.738 0.373 0.000 1.419 714 Q HN 0.761 nan 8.270 nan 0.000 0.427 715 A N 1.304 124.013 122.820 -0.185 0.000 2.317 715 A HA 0.822 5.240 4.320 0.164 0.000 0.327 715 A C -1.330 175.944 177.584 -0.518 0.000 1.178 715 A CA -0.221 51.727 52.037 -0.148 0.000 0.817 715 A CB 0.351 19.284 19.000 -0.111 0.000 1.189 715 A HN 0.518 nan 8.150 nan 0.000 0.489 716 F N -0.511 119.410 119.950 -0.048 0.000 2.613 716 F HA 0.490 5.116 4.527 0.165 0.000 0.314 716 F C 0.231 175.943 175.800 -0.147 0.000 1.075 716 F CA -0.534 57.400 58.000 -0.109 0.000 0.945 716 F CB 2.244 41.214 39.000 -0.049 0.000 1.310 716 F HN 0.625 nan 8.300 nan 0.000 0.467 717 Q N 2.957 122.713 119.800 -0.074 0.000 2.294 717 Q HA 0.394 4.832 4.340 0.164 0.000 0.257 717 Q C -2.647 173.332 176.000 -0.035 0.000 0.955 717 Q CA -1.809 53.917 55.803 -0.127 0.000 0.936 717 Q CB 1.304 29.873 28.738 -0.281 0.000 1.188 717 Q HN 0.142 nan 8.270 nan 0.000 0.420 718 P HA 0.077 nan 4.420 nan 0.000 0.281 718 P C -1.376 175.886 177.300 -0.063 0.000 1.252 718 P CA -0.223 62.859 63.100 -0.030 0.000 0.778 718 P CB 1.066 32.760 31.700 -0.011 0.000 0.895 719 V N 5.532 125.417 119.914 -0.049 0.000 2.304 719 V HA 0.154 4.372 4.120 0.164 0.000 0.278 719 V C 0.193 176.242 176.094 -0.075 0.000 1.018 719 V CA -0.795 61.473 62.300 -0.053 0.000 0.814 719 V CB 0.707 32.517 31.823 -0.023 0.000 1.021 719 V HN 0.395 nan 8.190 nan 0.000 0.440 720 L N 6.294 127.452 121.223 -0.108 0.000 2.559 720 L HA 0.208 4.647 4.340 0.164 0.000 0.282 720 L C 0.256 177.049 176.870 -0.129 0.000 1.232 720 L CA 1.070 55.823 54.840 -0.145 0.000 0.885 720 L CB 0.325 42.257 42.059 -0.212 0.000 1.131 720 L HN 0.640 nan 8.230 nan 0.000 0.498 721 V N -0.795 119.040 119.914 -0.132 0.000 3.159 721 V HA 0.640 4.859 4.120 0.164 0.000 0.308 721 V C -0.431 175.600 176.094 -0.106 0.000 1.190 721 V CA -1.219 61.018 62.300 -0.105 0.000 1.037 721 V CB 1.906 33.681 31.823 -0.081 0.000 1.060 721 V HN 0.565 nan 8.190 nan 0.000 0.437 722 E N 1.172 121.327 120.200 -0.076 0.000 2.390 722 E HA 0.597 5.045 4.350 0.164 0.000 0.261 722 E C 0.682 177.255 176.600 -0.046 0.000 1.076 722 E CA 1.168 57.536 56.400 -0.054 0.000 0.905 722 E CB 0.886 30.567 29.700 -0.031 0.000 0.984 722 E HN 1.676 nan 8.360 nan 0.000 0.427 723 G N 1.794 110.576 108.800 -0.029 0.000 2.545 723 G HA2 -0.234 3.824 3.960 0.164 0.000 0.216 723 G HA3 -0.234 3.824 3.960 0.164 0.000 0.216 723 G C 0.323 175.207 174.900 -0.025 0.000 1.314 723 G CA -0.016 45.070 45.100 -0.024 0.000 0.906 723 G HN 0.431 nan 8.290 nan 0.000 0.563 724 Q N -0.304 119.481 119.800 -0.025 0.000 2.481 724 Q HA 0.224 4.662 4.340 0.164 0.000 0.219 724 Q C 2.211 178.193 176.000 -0.029 0.000 0.920 724 Q CA 1.117 56.907 55.803 -0.022 0.000 0.915 724 Q CB -0.389 28.340 28.738 -0.015 0.000 1.057 724 Q HN 1.192 nan 8.270 nan 0.000 0.581 725 S N 0.675 116.356 115.700 -0.031 0.000 2.587 725 S HA 0.266 4.834 4.470 0.164 0.000 0.260 725 S C 0.445 175.020 174.600 -0.041 0.000 1.353 725 S CA -0.222 57.960 58.200 -0.030 0.000 0.995 725 S CB 0.498 63.681 63.200 -0.028 0.000 0.912 725 S HN 0.199 nan 8.310 nan 0.000 0.568 726 I N 1.249 121.796 120.570 -0.038 0.000 2.389 726 I HA 0.223 4.491 4.170 0.164 0.000 0.288 726 I C 0.112 176.199 176.117 -0.050 0.000 0.999 726 I CA -0.426 60.840 61.300 -0.057 0.000 1.129 726 I CB 1.641 39.594 38.000 -0.078 0.000 1.288 726 I HN 0.642 nan 8.210 nan 0.000 0.444 727 Q N 5.559 125.316 119.800 -0.071 0.000 2.293 727 Q HA 0.337 4.776 4.340 0.164 0.000 0.263 727 Q C -0.950 174.998 176.000 -0.086 0.000 1.002 727 Q CA -0.448 55.309 55.803 -0.076 0.000 0.910 727 Q CB 1.885 30.571 28.738 -0.086 0.000 1.185 727 Q HN 0.344 nan 8.270 nan 0.000 0.401 728 L N 2.398 123.603 121.223 -0.028 0.000 2.333 728 L HA 0.332 4.771 4.340 0.164 0.000 0.269 728 L C -0.560 176.339 176.870 0.048 0.000 1.010 728 L CA -0.740 54.074 54.840 -0.044 0.000 0.818 728 L CB 1.523 43.602 42.059 0.033 0.000 1.306 728 L HN 0.577 nan 8.230 nan 0.000 0.430 729 H N 5.422 124.490 119.070 -0.003 0.000 2.722 729 H HA 0.220 4.875 4.556 0.165 0.000 0.328 729 H C -1.965 173.496 175.328 0.222 0.000 1.067 729 H CA -1.449 54.679 56.048 0.133 0.000 1.447 729 H CB 1.521 31.402 29.762 0.198 0.000 1.469 729 H HN 0.507 nan 8.280 nan 0.000 0.544 730 P HA -0.186 nan 4.420 nan 0.000 0.215 730 P C 1.818 179.390 177.300 0.454 0.000 1.157 730 P CA 1.010 64.283 63.100 0.289 0.000 0.874 730 P CB 0.433 32.293 31.700 0.267 0.000 0.790 731 L N -0.212 121.424 121.223 0.688 0.000 2.191 731 L HA -0.113 4.326 4.340 0.164 0.000 0.212 731 L C 2.496 179.545 176.870 0.298 0.000 1.103 731 L CA 1.244 56.329 54.840 0.409 0.000 0.769 731 L CB -0.663 41.564 42.059 0.280 0.000 0.908 731 L HN -0.088 nan 8.230 nan 0.000 0.438 732 V N -6.098 114.049 119.914 0.388 0.000 3.461 732 V HA -0.100 4.119 4.120 0.164 0.000 0.267 732 V C 2.191 178.509 176.094 0.374 0.000 1.186 732 V CA 0.461 62.967 62.300 0.343 0.000 1.154 732 V CB -1.002 31.136 31.823 0.525 0.000 0.802 732 V HN 0.402 nan 8.190 nan 0.000 0.474 733 C N 0.543 120.045 119.300 0.336 0.000 2.409 733 C HA -0.114 4.444 4.460 0.164 0.000 0.284 733 C C 2.732 177.835 174.990 0.188 0.000 1.354 733 C CA 1.459 60.624 59.018 0.245 0.000 1.787 733 C CB -1.057 26.806 27.740 0.205 0.000 1.900 733 C HN 0.655 nan 8.230 nan 0.000 0.520 734 E N 0.590 120.890 120.200 0.166 0.000 2.051 734 E HA -0.078 4.371 4.350 0.164 0.000 0.189 734 E C 2.410 179.065 176.600 0.093 0.000 0.979 734 E CA 1.058 57.524 56.400 0.110 0.000 0.803 734 E CB -0.260 29.494 29.700 0.090 0.000 0.761 734 E HN 0.625 nan 8.360 nan 0.000 0.451 735 A N 1.883 124.730 122.820 0.046 0.000 1.849 735 A HA -0.191 4.228 4.320 0.164 0.000 0.216 735 A C 0.779 178.362 177.584 -0.002 0.000 1.225 735 A CA 1.317 53.314 52.037 -0.068 0.000 0.653 735 A CB -1.266 17.514 19.000 -0.367 0.000 0.844 735 A HN 0.169 nan 8.150 nan 0.000 0.453 736 F N 0.512 120.553 119.950 0.152 0.000 2.506 736 F HA 0.225 4.850 4.527 0.163 0.000 0.371 736 F C 0.736 176.542 175.800 0.010 0.000 1.078 736 F CA -0.548 57.499 58.000 0.079 0.000 1.195 736 F CB -0.487 38.536 39.000 0.039 0.000 1.099 736 F HN 0.237 nan 8.300 nan 0.000 0.548 737 N N 3.292 122.064 118.700 0.120 0.000 2.383 737 N HA 0.250 5.088 4.740 0.164 0.000 0.295 737 N C -0.968 174.560 175.510 0.029 0.000 1.281 737 N CA 0.160 53.237 53.050 0.045 0.000 1.048 737 N CB -0.150 38.334 38.487 -0.006 0.000 1.455 737 N HN 0.702 nan 8.380 nan 0.000 0.488 738 A N 3.005 125.830 122.820 0.008 0.000 2.414 738 A HA 0.387 4.805 4.320 0.164 0.000 0.286 738 A C -0.887 176.540 177.584 -0.262 0.000 1.073 738 A CA -0.978 50.984 52.037 -0.126 0.000 0.727 738 A CB 0.780 19.689 19.000 -0.152 0.000 1.215 738 A HN 0.643 nan 8.150 nan 0.000 0.430 739 D N 0.412 120.645 120.400 -0.279 0.000 2.494 739 D HA 0.523 5.261 4.640 0.164 0.000 0.259 739 D C -0.752 175.271 176.300 -0.462 0.000 1.109 739 D CA -0.828 53.006 54.000 -0.277 0.000 1.040 739 D CB 0.740 41.493 40.800 -0.077 0.000 1.175 739 D HN 0.231 nan 8.370 nan 0.000 0.584 740 F N 0.078 120.017 119.950 -0.017 0.000 2.883 740 F HA 0.154 4.780 4.527 0.164 0.000 0.312 740 F C 0.474 176.255 175.800 -0.032 0.000 1.246 740 F CA -0.695 57.286 58.000 -0.032 0.000 1.238 740 F CB 0.105 39.079 39.000 -0.043 0.000 1.195 740 F HN 0.173 nan 8.300 nan 0.000 0.526 741 D N -1.049 119.383 120.400 0.054 0.000 2.491 741 D HA 0.291 5.030 4.640 0.164 0.000 0.228 741 D C 1.504 177.813 176.300 0.015 0.000 1.183 741 D CA -0.042 53.979 54.000 0.036 0.000 0.827 741 D CB 0.353 41.161 40.800 0.014 0.000 0.989 741 D HN 0.402 nan 8.370 nan 0.000 0.494 742 G N 0.225 109.037 108.800 0.020 0.000 2.192 742 G HA2 -0.217 3.842 3.960 0.164 0.000 0.193 742 G HA3 -0.217 3.842 3.960 0.164 0.000 0.193 742 G C -0.450 174.433 174.900 -0.029 0.000 0.999 742 G CA -0.397 44.704 45.100 0.002 0.000 0.659 742 G HN 0.394 nan 8.290 nan 0.000 0.503 743 D N 1.321 121.682 120.400 -0.064 0.000 2.449 743 D HA 0.448 5.187 4.640 0.164 0.000 0.236 743 D C 0.888 177.133 176.300 -0.092 0.000 1.149 743 D CA 0.829 54.772 54.000 -0.096 0.000 0.878 743 D CB 0.418 41.122 40.800 -0.160 0.000 1.198 743 D HN 0.695 nan 8.370 nan 0.000 0.446 744 Q N 0.945 120.693 119.800 -0.087 0.000 2.365 744 Q HA 0.665 5.104 4.340 0.164 0.000 0.269 744 Q C -0.987 174.944 176.000 -0.115 0.000 1.061 744 Q CA -0.890 54.861 55.803 -0.087 0.000 0.816 744 Q CB 2.196 30.897 28.738 -0.062 0.000 1.325 744 Q HN 0.372 nan 8.270 nan 0.000 0.446 745 M N 1.311 120.826 119.600 -0.141 0.000 2.528 745 M HA 0.730 5.309 4.480 0.164 0.000 0.321 745 M C -0.887 175.312 176.300 -0.169 0.000 1.153 745 M CA -0.857 54.334 55.300 -0.182 0.000 0.951 745 M CB 2.429 34.866 32.600 -0.272 0.000 1.705 745 M HN 0.860 nan 8.290 nan 0.000 0.451 746 A N 1.720 124.428 122.820 -0.186 0.000 2.303 746 A HA 0.790 5.209 4.320 0.164 0.000 0.317 746 A C -1.032 176.340 177.584 -0.353 0.000 1.149 746 A CA -0.700 51.195 52.037 -0.237 0.000 0.822 746 A CB 1.276 20.145 19.000 -0.220 0.000 1.131 746 A HN 0.713 nan 8.150 nan 0.000 0.493 747 V N 3.228 122.914 119.914 -0.381 0.000 2.680 747 V HA 0.723 4.941 4.120 0.164 0.000 0.309 747 V C -1.143 174.721 176.094 -0.384 0.000 1.052 747 V CA -0.549 61.550 62.300 -0.335 0.000 0.908 747 V CB 1.667 33.404 31.823 -0.145 0.000 1.001 747 V HN 1.001 nan 8.190 nan 0.000 0.431 748 H N 3.943 123.016 119.070 0.005 0.000 2.855 748 H HA 0.768 5.423 4.556 0.165 0.000 0.363 748 H C -1.021 174.286 175.328 -0.036 0.000 1.185 748 H CA -0.421 55.625 56.048 -0.005 0.000 1.174 748 H CB 2.162 31.935 29.762 0.017 0.000 1.857 748 H HN 0.675 nan 8.280 nan 0.000 0.565 749 V N 0.207 120.164 119.914 0.072 0.000 2.525 749 V HA 0.349 4.568 4.120 0.164 0.000 0.299 749 V C -2.693 173.355 176.094 -0.076 0.000 1.034 749 V CA -2.108 60.141 62.300 -0.085 0.000 0.863 749 V CB 1.571 33.171 31.823 -0.370 0.000 0.999 749 V HN 0.506 nan 8.190 nan 0.000 0.423 750 P HA 0.347 nan 4.420 nan 0.000 0.274 750 P C 0.787 178.056 177.300 -0.052 0.000 1.291 750 P CA -0.050 63.036 63.100 -0.024 0.000 0.815 750 P CB 0.763 32.469 31.700 0.010 0.000 0.897 751 L N 0.933 122.119 121.223 -0.062 0.000 2.007 751 L HA -0.033 4.406 4.340 0.164 0.000 0.205 751 L C 1.395 178.312 176.870 0.078 0.000 1.073 751 L CA 0.968 55.791 54.840 -0.029 0.000 0.744 751 L CB -0.780 41.209 42.059 -0.118 0.000 0.898 751 L HN 0.305 nan 8.230 nan 0.000 0.435 752 S N -0.345 115.392 115.700 0.061 0.000 2.572 752 S HA 0.016 4.584 4.470 0.164 0.000 0.279 752 S C 1.313 175.988 174.600 0.124 0.000 1.341 752 S CA -0.329 57.932 58.200 0.102 0.000 1.043 752 S CB 1.154 64.415 63.200 0.102 0.000 0.887 752 S HN 0.182 nan 8.310 nan 0.000 0.516 753 S N 3.482 119.258 115.700 0.128 0.000 2.474 753 S HA -0.015 4.553 4.470 0.164 0.000 0.235 753 S C 1.126 175.773 174.600 0.079 0.000 0.997 753 S CA 0.719 58.973 58.200 0.090 0.000 0.949 753 S CB -0.359 62.878 63.200 0.062 0.000 0.766 753 S HN 0.770 nan 8.310 nan 0.000 0.517 754 F N 1.648 121.603 119.950 0.007 0.000 2.179 754 F HA 0.067 4.670 4.527 0.127 0.000 0.292 754 F C 2.400 178.194 175.800 -0.010 0.000 1.089 754 F CA 0.621 58.617 58.000 -0.008 0.000 1.295 754 F CB -0.272 38.719 39.000 -0.016 0.000 1.041 754 F HN 0.209 nan 8.300 nan 0.000 0.487 755 A N -0.122 122.854 122.820 0.260 0.000 1.883 755 A HA -0.291 4.128 4.320 0.164 0.000 0.217 755 A C 1.947 179.591 177.584 0.101 0.000 1.186 755 A CA 1.941 54.060 52.037 0.136 0.000 0.624 755 A CB -1.013 18.026 19.000 0.066 0.000 0.822 755 A HN 0.472 nan 8.150 nan 0.000 0.444 756 Q N -0.044 119.803 119.800 0.078 0.000 2.077 756 Q HA -0.124 4.315 4.340 0.164 0.000 0.206 756 Q C 2.086 178.107 176.000 0.034 0.000 0.989 756 Q CA 2.405 58.232 55.803 0.040 0.000 0.853 756 Q CB -0.750 28.005 28.738 0.027 0.000 0.907 756 Q HN 0.580 nan 8.270 nan 0.000 0.418 757 A N 1.216 124.058 122.820 0.037 0.000 1.842 757 A HA -0.321 4.098 4.320 0.164 0.000 0.217 757 A C 1.957 179.565 177.584 0.039 0.000 1.206 757 A CA 2.457 54.498 52.037 0.005 0.000 0.630 757 A CB -1.264 17.691 19.000 -0.076 0.000 0.839 757 A HN 0.711 nan 8.150 nan 0.000 0.447 758 E N 0.045 120.302 120.200 0.095 0.000 2.097 758 E HA -0.161 4.288 4.350 0.164 0.000 0.196 758 E C 2.070 178.704 176.600 0.056 0.000 1.000 758 E CA 1.453 57.907 56.400 0.090 0.000 0.804 758 E CB -0.604 29.172 29.700 0.127 0.000 0.740 758 E HN 0.525 nan 8.360 nan 0.000 0.454 759 A N 2.623 125.473 122.820 0.050 0.000 1.873 759 A HA -0.252 4.167 4.320 0.164 0.000 0.218 759 A C 2.391 179.975 177.584 0.000 0.000 1.193 759 A CA 2.343 54.396 52.037 0.026 0.000 0.629 759 A CB -0.758 18.258 19.000 0.027 0.000 0.826 759 A HN 0.464 nan 8.150 nan 0.000 0.447 760 R N -1.243 119.257 120.500 -0.000 0.000 2.275 760 R HA 0.140 4.579 4.340 0.164 0.000 0.199 760 R C 1.324 177.654 176.300 0.050 0.000 0.989 760 R CA 0.823 56.910 56.100 -0.022 0.000 1.016 760 R CB -0.143 30.139 30.300 -0.030 0.000 0.918 760 R HN 0.403 nan 8.270 nan 0.000 0.473 761 I N 1.892 122.512 120.570 0.084 0.000 2.522 761 I HA -0.117 4.151 4.170 0.164 0.000 0.240 761 I C 2.001 178.226 176.117 0.179 0.000 1.078 761 I CA 1.200 62.584 61.300 0.140 0.000 1.422 761 I CB -0.900 37.130 38.000 0.050 0.000 1.188 761 I HN 0.344 nan 8.210 nan 0.000 0.442 762 Q N -0.736 119.117 119.800 0.088 0.000 2.219 762 Q HA 0.205 4.644 4.340 0.164 0.000 0.209 762 Q C 1.513 177.541 176.000 0.048 0.000 0.854 762 Q CA 0.199 56.039 55.803 0.062 0.000 0.960 762 Q CB 0.725 29.482 28.738 0.030 0.000 1.116 762 Q HN 0.385 nan 8.270 nan 0.000 0.500 763 M N 0.291 119.913 119.600 0.036 0.000 2.260 763 M HA 0.214 4.793 4.480 0.164 0.000 0.295 763 M C -0.059 176.194 176.300 -0.078 0.000 1.042 763 M CA -0.393 54.903 55.300 -0.007 0.000 1.116 763 M CB 0.925 33.529 32.600 0.006 0.000 1.796 763 M HN 0.325 nan 8.290 nan 0.000 0.617 764 L N 0.490 121.642 121.223 -0.120 0.000 2.489 764 L HA 0.052 4.491 4.340 0.164 0.000 0.285 764 L C 1.290 177.952 176.870 -0.347 0.000 1.259 764 L CA 1.117 55.776 54.840 -0.301 0.000 0.828 764 L CB 0.466 42.292 42.059 -0.389 0.000 1.094 764 L HN 0.407 nan 8.230 nan 0.000 0.524 765 S N 2.752 118.104 115.700 -0.581 0.000 2.336 765 S HA -0.082 4.487 4.470 0.164 0.000 0.214 765 S C 1.796 176.256 174.600 -0.233 0.000 1.032 765 S CA 1.007 58.930 58.200 -0.461 0.000 1.001 765 S CB -1.148 61.624 63.200 -0.712 0.000 0.953 765 S HN 1.076 nan 8.310 nan 0.000 0.430 766 A N 1.003 123.684 122.820 -0.231 0.000 2.204 766 A HA -0.155 4.263 4.320 0.164 0.000 0.220 766 A C 1.860 179.495 177.584 0.085 0.000 1.165 766 A CA 1.822 53.810 52.037 -0.081 0.000 0.671 766 A CB -1.030 17.935 19.000 -0.057 0.000 0.792 766 A HN 0.794 nan 8.150 nan 0.000 0.473 767 H N -0.434 118.619 119.070 -0.028 0.000 2.547 767 H HA 0.115 4.769 4.556 0.163 0.000 0.272 767 H C -0.023 175.317 175.328 0.020 0.000 0.971 767 H CA 0.284 56.340 56.048 0.013 0.000 1.245 767 H CB 0.173 29.930 29.762 -0.009 0.000 1.440 767 H HN 0.404 nan 8.280 nan 0.000 0.540 768 N N 1.627 120.371 118.700 0.074 0.000 3.194 768 N HA 0.114 4.952 4.740 0.164 0.000 0.271 768 N C 0.894 176.359 175.510 -0.076 0.000 1.308 768 N CA 0.003 53.048 53.050 -0.009 0.000 1.042 768 N CB 1.071 39.522 38.487 -0.059 0.000 1.310 768 N HN 0.229 nan 8.380 nan 0.000 0.502 769 L N -0.204 120.960 121.223 -0.098 0.000 2.102 769 L HA 0.167 4.606 4.340 0.164 0.000 0.202 769 L C 0.935 177.635 176.870 -0.283 0.000 1.076 769 L CA 0.829 55.550 54.840 -0.199 0.000 0.761 769 L CB -0.007 41.880 42.059 -0.287 0.000 0.921 769 L HN 0.250 nan 8.230 nan 0.000 0.444 770 L N -0.232 120.756 121.223 -0.393 0.000 2.418 770 L HA 0.161 4.599 4.340 0.164 0.000 0.265 770 L C 0.552 177.329 176.870 -0.155 0.000 1.143 770 L CA -0.105 54.562 54.840 -0.289 0.000 0.809 770 L CB 1.473 43.345 42.059 -0.311 0.000 1.124 770 L HN 0.025 nan 8.230 nan 0.000 0.456 771 S N 1.630 117.264 115.700 -0.110 0.000 2.562 771 S HA 0.292 4.860 4.470 0.164 0.000 0.275 771 S C -1.785 172.807 174.600 -0.013 0.000 1.281 771 S CA -1.312 56.834 58.200 -0.089 0.000 1.045 771 S CB 1.336 64.495 63.200 -0.069 0.000 0.962 771 S HN 0.337 nan 8.310 nan 0.000 0.503 772 P HA 0.080 nan 4.420 nan 0.000 0.225 772 P C 1.030 178.418 177.300 0.147 0.000 1.156 772 P CA 0.798 63.937 63.100 0.066 0.000 0.787 772 P CB 0.095 31.793 31.700 -0.002 0.000 0.802 773 A N -0.184 122.682 122.820 0.077 0.000 1.828 773 A HA -0.044 4.375 4.320 0.164 0.000 0.215 773 A C 1.281 179.005 177.584 0.234 0.000 1.203 773 A CA 1.885 53.996 52.037 0.124 0.000 0.614 773 A CB -1.133 17.914 19.000 0.079 0.000 0.844 773 A HN 0.332 nan 8.150 nan 0.000 0.445 774 S N -2.851 112.928 115.700 0.131 0.000 2.600 774 S HA 0.555 5.123 4.470 0.164 0.000 0.300 774 S C 0.719 175.347 174.600 0.047 0.000 1.087 774 S CA -0.046 58.212 58.200 0.097 0.000 0.965 774 S CB 1.472 64.672 63.200 -0.001 0.000 1.089 774 S HN 0.869 nan 8.310 nan 0.000 0.496 775 G N 0.476 109.283 108.800 0.011 0.000 2.990 775 G HA2 0.132 4.191 3.960 0.164 0.000 0.206 775 G HA3 0.132 4.191 3.960 0.164 0.000 0.206 775 G C 0.164 174.912 174.900 -0.253 0.000 1.169 775 G CA -0.015 45.074 45.100 -0.019 0.000 0.819 775 G HN 0.640 nan 8.290 nan 0.000 0.517 776 E N 0.687 120.731 120.200 -0.260 0.000 2.349 776 E HA 0.263 4.711 4.350 0.164 0.000 0.265 776 E C -2.321 174.170 176.600 -0.182 0.000 1.064 776 E CA -2.458 53.758 56.400 -0.306 0.000 0.886 776 E CB 0.788 30.352 29.700 -0.227 0.000 1.036 776 E HN 0.004 nan 8.360 nan 0.000 0.413 777 P HA 0.067 nan 4.420 nan 0.000 0.272 777 P C 0.194 177.443 177.300 -0.086 0.000 1.230 777 P CA -0.144 62.888 63.100 -0.114 0.000 0.788 777 P CB 0.540 32.207 31.700 -0.055 0.000 0.949 778 L N 1.090 122.261 121.223 -0.087 0.000 3.086 778 L HA 0.328 4.766 4.340 0.164 0.000 0.274 778 L C 1.270 178.123 176.870 -0.029 0.000 1.184 778 L CA 0.548 55.353 54.840 -0.059 0.000 1.002 778 L CB -0.401 41.600 42.059 -0.096 0.000 1.383 778 L HN 0.327 nan 8.230 nan 0.000 0.582 779 A N -0.477 122.325 122.820 -0.030 0.000 2.532 779 A HA 0.209 4.627 4.320 0.164 0.000 0.273 779 A C 0.539 178.144 177.584 0.035 0.000 1.342 779 A CA -0.367 51.673 52.037 0.005 0.000 0.929 779 A CB -0.687 18.305 19.000 -0.013 0.000 1.051 779 A HN 0.178 nan 8.150 nan 0.000 0.521 780 K N 1.329 121.749 120.400 0.032 0.000 2.451 780 K HA 0.212 4.630 4.320 0.164 0.000 0.280 780 K C -2.675 173.967 176.600 0.070 0.000 1.020 780 K CA -1.223 55.093 56.287 0.047 0.000 1.008 780 K CB 0.040 32.561 32.500 0.035 0.000 0.917 780 K HN 0.112 nan 8.250 nan 0.000 0.478 781 P HA -0.002 nan 4.420 nan 0.000 0.267 781 P C -0.725 176.623 177.300 0.081 0.000 1.205 781 P CA 0.306 63.451 63.100 0.074 0.000 0.765 781 P CB 0.942 32.679 31.700 0.063 0.000 0.828 782 S N 2.851 118.614 115.700 0.105 0.000 2.694 782 S HA 0.188 4.756 4.470 0.164 0.000 0.278 782 S C 1.650 176.316 174.600 0.110 0.000 1.152 782 S CA -0.801 57.467 58.200 0.113 0.000 1.010 782 S CB 0.469 63.759 63.200 0.151 0.000 1.104 782 S HN 0.492 nan 8.310 nan 0.000 0.547 783 R N 1.876 122.434 120.500 0.096 0.000 2.222 783 R HA -0.275 4.163 4.340 0.164 0.000 0.235 783 R C 0.951 177.308 176.300 0.094 0.000 1.112 783 R CA 2.389 58.532 56.100 0.072 0.000 0.897 783 R CB -1.908 28.425 30.300 0.055 0.000 0.882 783 R HN 0.664 nan 8.270 nan 0.000 0.429 784 D N 0.789 121.284 120.400 0.158 0.000 2.127 784 D HA -0.165 4.573 4.640 0.164 0.000 0.190 784 D C 2.187 178.641 176.300 0.257 0.000 1.000 784 D CA 2.317 56.449 54.000 0.221 0.000 0.839 784 D CB -0.158 40.836 40.800 0.323 0.000 0.955 784 D HN 0.227 nan 8.370 nan 0.000 0.446 785 I N 1.752 122.476 120.570 0.256 0.000 2.068 785 I HA -0.296 3.972 4.170 0.164 0.000 0.238 785 I C 2.463 178.625 176.117 0.075 0.000 1.046 785 I CA 0.940 62.258 61.300 0.030 0.000 1.306 785 I CB -0.807 37.109 38.000 -0.139 0.000 1.023 785 I HN 0.089 nan 8.210 nan 0.000 0.399 786 I N -0.037 120.574 120.570 0.069 0.000 2.068 786 I HA -0.316 3.952 4.170 0.164 0.000 0.238 786 I C 2.535 178.693 176.117 0.068 0.000 1.046 786 I CA 1.569 62.907 61.300 0.062 0.000 1.306 786 I CB -1.524 36.503 38.000 0.045 0.000 1.023 786 I HN 0.278 nan 8.210 nan 0.000 0.399 787 L N 1.427 122.667 121.223 0.028 0.000 2.040 787 L HA -0.238 4.200 4.340 0.164 0.000 0.228 787 L C 2.418 179.315 176.870 0.045 0.000 1.092 787 L CA 2.643 57.470 54.840 -0.022 0.000 0.805 787 L CB -1.641 40.384 42.059 -0.056 0.000 0.905 787 L HN 0.322 nan 8.230 nan 0.000 0.443 788 G N -0.736 108.117 108.800 0.090 0.000 2.511 788 G HA2 -0.268 3.791 3.960 0.164 0.000 0.216 788 G HA3 -0.268 3.791 3.960 0.164 0.000 0.216 788 G C 1.635 176.643 174.900 0.179 0.000 1.218 788 G CA 1.054 46.250 45.100 0.160 0.000 0.788 788 G HN 0.498 nan 8.290 nan 0.000 0.560 789 L N -0.756 120.560 121.223 0.156 0.000 2.137 789 L HA -0.209 4.230 4.340 0.164 0.000 0.213 789 L C 2.606 179.465 176.870 -0.018 0.000 1.085 789 L CA 1.635 56.509 54.840 0.057 0.000 0.760 789 L CB -0.525 41.542 42.059 0.013 0.000 0.893 789 L HN 0.361 nan 8.230 nan 0.000 0.434 790 Y N -0.670 119.588 120.300 -0.069 0.000 2.153 790 Y HA -0.268 4.380 4.550 0.164 0.000 0.289 790 Y C 2.592 178.464 175.900 -0.046 0.000 1.119 790 Y CA 1.208 59.262 58.100 -0.077 0.000 1.116 790 Y CB -0.641 37.795 38.460 -0.041 0.000 1.004 790 Y HN -0.044 nan 8.280 nan 0.000 0.501 791 Y N 0.538 120.940 120.300 0.171 0.000 2.228 791 Y HA -0.300 4.348 4.550 0.164 0.000 0.285 791 Y C 2.521 178.325 175.900 -0.161 0.000 1.178 791 Y CA 1.931 59.998 58.100 -0.054 0.000 1.202 791 Y CB -0.484 37.894 38.460 -0.136 0.000 0.974 791 Y HN 0.382 nan 8.280 nan 0.000 0.527 792 I N -0.892 119.638 120.570 -0.066 0.000 2.876 792 I HA -0.133 4.135 4.170 0.164 0.000 0.264 792 I C 1.788 177.767 176.117 -0.229 0.000 1.204 792 I CA 1.643 62.801 61.300 -0.237 0.000 1.485 792 I CB -0.106 37.574 38.000 -0.534 0.000 1.103 792 I HN 0.300 nan 8.210 nan 0.000 0.446 793 T N -2.185 112.223 114.554 -0.245 0.000 3.022 793 T HA 0.085 4.533 4.350 0.164 0.000 0.250 793 T C 0.949 175.503 174.700 -0.243 0.000 1.060 793 T CA -0.253 61.695 62.100 -0.253 0.000 1.013 793 T CB -0.109 68.548 68.868 -0.350 0.000 0.982 793 T HN 0.205 nan 8.240 nan 0.000 0.508 794 Q N 1.715 121.359 119.800 -0.260 0.000 2.421 794 Q HA 0.428 4.866 4.340 0.164 0.000 0.255 794 Q C -0.790 175.191 176.000 -0.033 0.000 1.013 794 Q CA -0.158 55.540 55.803 -0.176 0.000 0.895 794 Q CB 0.899 29.623 28.738 -0.024 0.000 1.271 794 Q HN 0.300 nan 8.270 nan 0.000 0.460 795 V N 3.861 123.741 119.914 -0.057 0.000 2.667 795 V HA 0.599 4.818 4.120 0.164 0.000 0.308 795 V C -0.106 175.909 176.094 -0.131 0.000 1.048 795 V CA -0.869 61.396 62.300 -0.059 0.000 0.928 795 V CB 1.854 33.640 31.823 -0.061 0.000 1.004 795 V HN 0.769 nan 8.190 nan 0.000 0.444 796 R N 2.215 122.635 120.500 -0.134 0.000 2.598 796 R HA 0.765 5.203 4.340 0.164 0.000 0.279 796 R C -1.192 175.017 176.300 -0.151 0.000 0.984 796 R CA -0.977 54.985 56.100 -0.229 0.000 0.999 796 R CB 1.648 31.834 30.300 -0.190 0.000 1.114 796 R HN 0.584 nan 8.270 nan 0.000 0.493 797 K N 0.819 121.118 120.400 -0.169 0.000 2.427 797 K HA 0.241 4.659 4.320 0.164 0.000 0.252 797 K C -0.548 175.988 176.600 -0.107 0.000 0.931 797 K CA -0.495 55.725 56.287 -0.112 0.000 0.793 797 K CB 2.818 35.258 32.500 -0.100 0.000 1.211 797 K HN 0.555 nan 8.250 nan 0.000 0.426 798 E N 1.267 121.420 120.200 -0.078 0.000 3.846 798 E HA 0.270 4.719 4.350 0.164 0.000 0.262 798 E C -0.944 175.620 176.600 -0.060 0.000 0.786 798 E CA -0.649 55.711 56.400 -0.066 0.000 1.620 798 E CB 0.716 30.387 29.700 -0.049 0.000 1.928 798 E HN 0.321 nan 8.360 nan 0.000 0.410 799 K N 1.499 121.870 120.400 -0.049 0.000 2.235 799 K HA 0.240 4.659 4.320 0.164 0.000 0.266 799 K C -1.230 175.340 176.600 -0.049 0.000 0.980 799 K CA -0.382 55.877 56.287 -0.047 0.000 0.849 799 K CB 1.472 33.950 32.500 -0.037 0.000 1.098 799 K HN 0.231 nan 8.250 nan 0.000 0.445 800 K N 3.524 123.894 120.400 -0.050 0.000 2.244 800 K HA 0.167 4.585 4.320 0.164 0.000 0.263 800 K C 0.955 177.524 176.600 -0.052 0.000 1.103 800 K CA -0.154 56.099 56.287 -0.057 0.000 0.966 800 K CB 0.295 32.762 32.500 -0.055 0.000 1.429 800 K HN 0.932 nan 8.250 nan 0.000 0.434 801 G N 2.270 111.038 108.800 -0.052 0.000 2.479 801 G HA2 -0.019 4.039 3.960 0.164 0.000 0.220 801 G HA3 -0.019 4.039 3.960 0.164 0.000 0.220 801 G C 0.331 175.205 174.900 -0.042 0.000 1.115 801 G CA 0.932 46.007 45.100 -0.042 0.000 0.757 801 G HN 0.739 nan 8.290 nan 0.000 0.560 802 A N -2.716 120.067 122.820 -0.061 0.000 2.351 802 A HA 0.602 5.021 4.320 0.164 0.000 0.296 802 A C 0.536 178.066 177.584 -0.090 0.000 1.028 802 A CA 0.114 52.118 52.037 -0.055 0.000 0.575 802 A CB -0.697 18.283 19.000 -0.033 0.000 1.461 802 A HN 1.733 nan 8.150 nan 0.000 0.589 803 G N -0.467 108.296 108.800 -0.062 0.000 2.945 803 G HA2 0.281 4.340 3.960 0.164 0.000 0.304 803 G HA3 0.281 4.340 3.960 0.164 0.000 0.304 803 G C 0.505 175.297 174.900 -0.181 0.000 0.260 803 G CA 0.727 45.786 45.100 -0.067 0.000 1.210 803 G HN 1.913 nan 8.290 nan 0.000 0.218 804 L N 0.168 121.331 121.223 -0.100 0.000 3.066 804 L HA 0.403 4.842 4.340 0.164 0.000 0.265 804 L C 0.589 177.463 176.870 0.007 0.000 1.232 804 L CA -0.566 54.212 54.840 -0.103 0.000 1.031 804 L CB 0.328 42.352 42.059 -0.057 0.000 1.379 804 L HN 0.488 nan 8.230 nan 0.000 0.563 805 E N 0.615 120.869 120.200 0.090 0.000 1.856 805 E HA 0.031 4.480 4.350 0.164 0.000 0.263 805 E C -0.117 176.692 176.600 0.348 0.000 1.137 805 E CA -0.370 56.140 56.400 0.184 0.000 1.007 805 E CB 0.516 30.304 29.700 0.146 0.000 1.117 805 E HN 0.381 nan 8.360 nan 0.000 0.438 806 F N 2.035 122.071 119.950 0.144 0.000 2.704 806 F HA 0.388 5.013 4.527 0.164 0.000 0.304 806 F C 1.835 177.668 175.800 0.054 0.000 1.094 806 F CA -0.412 57.668 58.000 0.133 0.000 1.275 806 F CB 0.170 39.258 39.000 0.147 0.000 1.073 806 F HN 0.377 nan 8.300 nan 0.000 0.586 807 A N 0.001 122.786 122.820 -0.059 0.000 2.148 807 A HA -0.184 4.235 4.320 0.164 0.000 0.222 807 A C 1.739 179.192 177.584 -0.218 0.000 1.161 807 A CA 2.788 54.735 52.037 -0.150 0.000 0.662 807 A CB -0.998 17.972 19.000 -0.049 0.000 0.799 807 A HN 0.496 nan 8.150 nan 0.000 0.466 808 T N -4.612 109.829 114.554 -0.188 0.000 3.336 808 T HA 0.215 4.664 4.350 0.164 0.000 0.273 808 T C -2.214 172.418 174.700 -0.113 0.000 0.932 808 T CA -0.268 61.739 62.100 -0.154 0.000 0.995 808 T CB -0.993 67.833 68.868 -0.070 0.000 1.213 808 T HN 0.250 nan 8.240 nan 0.000 0.502 809 P HA 0.361 nan 4.420 nan 0.000 0.275 809 P C 0.588 177.987 177.300 0.165 0.000 1.227 809 P CA -0.239 62.891 63.100 0.049 0.000 0.781 809 P CB 1.155 32.883 31.700 0.048 0.000 0.906 810 E N 1.602 121.872 120.200 0.116 0.000 2.250 810 E HA -0.130 4.319 4.350 0.164 0.000 0.192 810 E C 1.253 177.901 176.600 0.080 0.000 0.986 810 E CA 0.426 56.935 56.400 0.181 0.000 0.849 810 E CB -0.119 29.635 29.700 0.090 0.000 0.797 810 E HN 0.510 nan 8.360 nan 0.000 0.482 811 E N -0.020 120.183 120.200 0.005 0.000 2.511 811 E HA 0.004 4.452 4.350 0.164 0.000 0.196 811 E C 1.418 177.912 176.600 -0.177 0.000 1.066 811 E CA 0.558 56.918 56.400 -0.066 0.000 0.871 811 E CB 0.126 29.793 29.700 -0.056 0.000 0.863 811 E HN 0.436 nan 8.360 nan 0.000 0.520 812 A N 0.185 122.922 122.820 -0.139 0.000 2.095 812 A HA 0.010 4.429 4.320 0.164 0.000 0.212 812 A C 1.923 179.265 177.584 -0.404 0.000 1.162 812 A CA 0.322 52.104 52.037 -0.425 0.000 0.753 812 A CB -0.120 18.892 19.000 0.020 0.000 0.840 812 A HN 0.313 nan 8.150 nan 0.000 0.468 813 L N -1.942 119.088 121.223 -0.323 0.000 2.102 813 L HA 0.353 4.792 4.340 0.164 0.000 0.202 813 L C 2.293 178.922 176.870 -0.400 0.000 1.076 813 L CA 1.834 56.172 54.840 -0.836 0.000 0.761 813 L CB -1.440 40.310 42.059 -0.515 0.000 0.921 813 L HN 0.105 nan 8.230 nan 0.000 0.444 814 A N 0.759 123.446 122.820 -0.221 0.000 1.825 814 A HA 0.075 4.494 4.320 0.164 0.000 0.214 814 A C 2.553 180.051 177.584 -0.142 0.000 1.206 814 A CA 2.246 54.195 52.037 -0.147 0.000 0.609 814 A CB -1.458 17.487 19.000 -0.092 0.000 0.851 814 A HN 0.581 nan 8.150 nan 0.000 0.445 815 A N -0.971 121.754 122.820 -0.159 0.000 1.873 815 A HA -0.264 4.155 4.320 0.164 0.000 0.218 815 A C 2.006 179.568 177.584 -0.037 0.000 1.193 815 A CA 2.079 54.047 52.037 -0.115 0.000 0.629 815 A CB -1.141 17.769 19.000 -0.151 0.000 0.826 815 A HN 0.664 nan 8.150 nan 0.000 0.447 816 H N -0.826 118.182 119.070 -0.103 0.000 2.521 816 H HA -0.002 4.652 4.556 0.164 0.000 0.286 816 H C 1.830 177.071 175.328 -0.144 0.000 1.034 816 H CA 1.251 57.230 56.048 -0.114 0.000 1.278 816 H CB -0.069 29.614 29.762 -0.132 0.000 1.386 816 H HN 0.694 nan 8.280 nan 0.000 0.567 817 E N 0.635 120.796 120.200 -0.065 0.000 2.340 817 E HA -0.024 4.425 4.350 0.164 0.000 0.194 817 E C 1.506 178.066 176.600 -0.066 0.000 0.996 817 E CA 0.032 56.370 56.400 -0.104 0.000 0.869 817 E CB 0.408 30.010 29.700 -0.163 0.000 0.835 817 E HN 0.418 nan 8.360 nan 0.000 0.493 818 R N -0.880 119.592 120.500 -0.046 0.000 2.189 818 R HA 0.108 4.546 4.340 0.164 0.000 0.203 818 R C 2.296 178.587 176.300 -0.014 0.000 1.012 818 R CA 0.744 56.826 56.100 -0.030 0.000 1.015 818 R CB -0.083 30.199 30.300 -0.029 0.000 0.938 818 R HN 0.016 nan 8.270 nan 0.000 0.472 819 G N 1.153 109.953 108.800 -0.000 0.000 2.471 819 G HA2 -0.241 3.818 3.960 0.164 0.000 0.219 819 G HA3 -0.241 3.818 3.960 0.164 0.000 0.219 819 G C 1.342 176.238 174.900 -0.007 0.000 1.125 819 G CA 0.293 45.399 45.100 0.010 0.000 0.775 819 G HN 0.170 nan 8.290 nan 0.000 0.548 820 E N 0.851 121.039 120.200 -0.021 0.000 2.076 820 E HA -0.057 4.392 4.350 0.164 0.000 0.190 820 E C 2.676 179.262 176.600 -0.024 0.000 0.979 820 E CA 0.639 57.019 56.400 -0.035 0.000 0.807 820 E CB -0.340 29.323 29.700 -0.061 0.000 0.761 820 E HN 0.226 nan 8.360 nan 0.000 0.454 821 V N 1.718 121.619 119.914 -0.022 0.000 2.568 821 V HA -0.177 4.041 4.120 0.164 0.000 0.253 821 V C 1.934 178.026 176.094 -0.003 0.000 1.072 821 V CA 1.291 63.586 62.300 -0.009 0.000 1.084 821 V CB -1.048 30.769 31.823 -0.010 0.000 0.676 821 V HN 0.301 nan 8.190 nan 0.000 0.469 822 A N -0.171 122.646 122.820 -0.005 0.000 2.911 822 A HA 0.447 4.866 4.320 0.164 0.000 0.202 822 A C 1.040 178.624 177.584 -0.001 0.000 2.026 822 A CA 0.331 52.368 52.037 -0.001 0.000 0.923 822 A CB -0.053 18.946 19.000 -0.001 0.000 1.859 822 A HN 0.285 nan 8.150 nan 0.000 0.782 823 L N -0.596 120.627 121.223 -0.001 0.000 2.906 823 L HA 0.219 4.658 4.340 0.164 0.000 0.255 823 L C 1.759 178.625 176.870 -0.007 0.000 1.166 823 L CA 0.134 54.973 54.840 -0.002 0.000 0.977 823 L CB -0.159 41.901 42.059 0.002 0.000 1.313 823 L HN 0.794 nan 8.230 nan 0.000 0.549 824 N N 0.722 119.417 118.700 -0.009 0.000 2.124 824 N HA 0.019 4.858 4.740 0.164 0.000 0.188 824 N C 0.832 176.324 175.510 -0.030 0.000 1.045 824 N CA 0.735 53.776 53.050 -0.015 0.000 0.846 824 N CB 0.249 38.731 38.487 -0.009 0.000 1.020 824 N HN 0.236 nan 8.380 nan 0.000 0.432 825 A N 1.592 124.390 122.820 -0.036 0.000 2.249 825 A HA 0.496 4.914 4.320 0.164 0.000 0.314 825 A C -2.487 175.065 177.584 -0.052 0.000 1.290 825 A CA -1.416 50.586 52.037 -0.058 0.000 0.893 825 A CB 1.009 19.962 19.000 -0.079 0.000 1.165 825 A HN 0.187 nan 8.150 nan 0.000 0.530 826 P HA 0.116 nan 4.420 nan 0.000 0.270 826 P C 0.484 177.753 177.300 -0.053 0.000 1.223 826 P CA -0.258 62.816 63.100 -0.042 0.000 0.785 826 P CB 0.445 32.122 31.700 -0.039 0.000 0.923 827 I N 0.325 120.869 120.570 -0.043 0.000 3.241 827 I HA -0.126 4.143 4.170 0.164 0.000 0.280 827 I C 0.493 176.579 176.117 -0.051 0.000 1.320 827 I CA 1.381 62.647 61.300 -0.058 0.000 1.413 827 I CB -1.235 36.751 38.000 -0.023 0.000 1.060 827 I HN 0.277 nan 8.210 nan 0.000 0.500 828 K N -0.354 120.019 120.400 -0.046 0.000 3.098 828 K HA 0.454 4.872 4.320 0.164 0.000 0.204 828 K C -1.137 175.433 176.600 -0.050 0.000 1.210 828 K CA -0.235 56.026 56.287 -0.044 0.000 0.899 828 K CB 0.968 33.443 32.500 -0.042 0.000 1.176 828 K HN -0.187 nan 8.250 nan 0.000 0.585 829 V N 1.078 120.961 119.914 -0.053 0.000 2.612 829 V HA 0.511 4.730 4.120 0.164 0.000 0.301 829 V C 0.509 176.574 176.094 -0.048 0.000 1.046 829 V CA -1.020 61.246 62.300 -0.057 0.000 0.946 829 V CB 1.676 33.455 31.823 -0.074 0.000 1.003 829 V HN 0.685 nan 8.190 nan 0.000 0.459 830 A N 3.270 126.062 122.820 -0.047 0.000 2.618 830 A HA 0.517 4.935 4.320 0.164 0.000 0.293 830 A C 0.722 178.285 177.584 -0.034 0.000 1.413 830 A CA 0.559 52.575 52.037 -0.035 0.000 1.074 830 A CB -0.862 18.117 19.000 -0.035 0.000 1.087 830 A HN 1.188 nan 8.150 nan 0.000 0.553 831 G N 2.271 111.061 108.800 -0.017 0.000 3.003 831 G HA2 0.419 4.478 3.960 0.164 0.000 0.293 831 G HA3 0.419 4.478 3.960 0.164 0.000 0.293 831 G C 0.520 175.439 174.900 0.031 0.000 1.553 831 G CA -0.535 44.568 45.100 0.006 0.000 1.078 831 G HN 0.706 nan 8.290 nan 0.000 0.550 832 R N 1.570 122.083 120.500 0.022 0.000 2.491 832 R HA -0.287 4.151 4.340 0.164 0.000 0.201 832 R C 2.265 178.579 176.300 0.023 0.000 1.000 832 R CA 2.635 58.745 56.100 0.016 0.000 0.746 832 R CB -0.455 29.849 30.300 0.007 0.000 0.823 832 R HN 0.502 nan 8.270 nan 0.000 0.407 833 E N -0.895 119.318 120.200 0.021 0.000 2.035 833 E HA -0.097 4.352 4.350 0.164 0.000 0.204 833 E C 0.339 176.974 176.600 0.058 0.000 1.025 833 E CA 2.094 58.506 56.400 0.020 0.000 0.835 833 E CB -0.233 29.451 29.700 -0.027 0.000 0.764 833 E HN 0.715 nan 8.360 nan 0.000 0.457 834 T N -2.345 112.281 114.554 0.120 0.000 3.032 834 T HA 0.512 4.961 4.350 0.164 0.000 0.312 834 T C -0.275 174.489 174.700 0.107 0.000 1.078 834 T CA -0.638 61.532 62.100 0.116 0.000 1.028 834 T CB 1.592 70.548 68.868 0.147 0.000 1.091 834 T HN 0.080 nan 8.240 nan 0.000 0.457 835 S N 2.181 117.903 115.700 0.036 0.000 2.592 835 S HA 0.272 4.841 4.470 0.164 0.000 0.271 835 S C 1.674 176.248 174.600 -0.043 0.000 1.326 835 S CA -0.217 57.979 58.200 -0.006 0.000 1.024 835 S CB 1.245 64.429 63.200 -0.027 0.000 0.921 835 S HN 1.254 nan 8.310 nan 0.000 0.527 836 V N 3.307 123.171 119.914 -0.082 0.000 2.511 836 V HA -0.161 4.057 4.120 0.164 0.000 0.257 836 V C 2.157 178.142 176.094 -0.181 0.000 1.088 836 V CA 2.718 64.934 62.300 -0.140 0.000 1.098 836 V CB -1.530 30.213 31.823 -0.133 0.000 0.674 836 V HN 1.106 nan 8.190 nan 0.000 0.470 837 G N -0.235 108.477 108.800 -0.146 0.000 2.475 837 G HA2 -0.292 3.767 3.960 0.164 0.000 0.220 837 G HA3 -0.292 3.767 3.960 0.164 0.000 0.220 837 G C 1.559 176.350 174.900 -0.181 0.000 1.125 837 G CA 1.058 46.050 45.100 -0.179 0.000 0.755 837 G HN 0.575 nan 8.290 nan 0.000 0.565 838 R N -0.872 119.569 120.500 -0.098 0.000 2.189 838 R HA 0.332 4.771 4.340 0.164 0.000 0.203 838 R C 2.222 178.471 176.300 -0.086 0.000 1.012 838 R CA -0.055 56.015 56.100 -0.050 0.000 1.015 838 R CB -0.708 29.602 30.300 0.015 0.000 0.938 838 R HN 0.287 nan 8.270 nan 0.000 0.472 839 L N 1.406 122.558 121.223 -0.118 0.000 1.989 839 L HA -0.146 4.293 4.340 0.164 0.000 0.211 839 L C 1.942 178.706 176.870 -0.177 0.000 1.071 839 L CA 1.901 56.659 54.840 -0.137 0.000 0.749 839 L CB -0.282 41.637 42.059 -0.233 0.000 0.890 839 L HN 0.043 nan 8.230 nan 0.000 0.431 840 K N -1.476 118.750 120.400 -0.291 0.000 1.991 840 K HA -0.154 4.265 4.320 0.164 0.000 0.212 840 K C -0.111 176.387 176.600 -0.170 0.000 1.049 840 K CA 1.432 57.515 56.287 -0.340 0.000 0.932 840 K CB -0.216 31.860 32.500 -0.706 0.000 0.717 840 K HN 0.274 nan 8.250 nan 0.000 0.441 841 Y N 0.459 120.658 120.300 -0.167 0.000 2.331 841 Y HA 0.371 5.020 4.550 0.164 0.000 0.338 841 Y C -0.645 174.993 175.900 -0.438 0.000 0.976 841 Y CA -1.490 56.379 58.100 -0.386 0.000 1.137 841 Y CB 1.500 39.737 38.460 -0.370 0.000 1.172 841 Y HN -0.311 nan 8.280 nan 0.000 0.478 842 V N 4.362 124.042 119.914 -0.390 0.000 2.443 842 V HA 0.344 4.563 4.120 0.164 0.000 0.293 842 V C -0.883 175.002 176.094 -0.349 0.000 1.021 842 V CA -1.124 61.032 62.300 -0.239 0.000 0.848 842 V CB 0.795 32.556 31.823 -0.103 0.000 0.998 842 V HN 0.542 nan 8.190 nan 0.000 0.424 843 F N 2.619 122.607 119.950 0.064 0.000 2.385 843 F HA 0.706 5.331 4.527 0.164 0.000 0.360 843 F C 1.262 177.079 175.800 0.028 0.000 1.122 843 F CA -0.199 57.827 58.000 0.042 0.000 1.090 843 F CB 1.724 40.751 39.000 0.044 0.000 1.150 843 F HN 0.605 nan 8.300 nan 0.000 0.472 844 A N 3.055 125.973 122.820 0.163 0.000 1.848 844 A HA -0.162 4.256 4.320 0.164 0.000 0.211 844 A C 1.084 178.715 177.584 0.079 0.000 1.225 844 A CA 1.116 53.208 52.037 0.090 0.000 0.637 844 A CB -0.706 18.325 19.000 0.052 0.000 0.867 844 A HN 0.680 nan 8.150 nan 0.000 0.463 845 N N -0.219 118.515 118.700 0.057 0.000 2.415 845 N HA 0.229 5.067 4.740 0.164 0.000 0.248 845 N C -2.041 173.489 175.510 0.033 0.000 1.271 845 N CA -1.366 51.693 53.050 0.014 0.000 0.913 845 N CB 0.696 39.185 38.487 0.004 0.000 1.129 845 N HN -0.053 nan 8.380 nan 0.000 0.444 846 P HA -0.025 nan 4.420 nan 0.000 0.216 846 P C 0.115 177.416 177.300 0.002 0.000 1.153 846 P CA 1.135 64.254 63.100 0.032 0.000 0.848 846 P CB 0.228 31.950 31.700 0.036 0.000 0.787 847 D N -0.468 119.932 120.400 -0.001 0.000 2.104 847 D HA -0.181 4.558 4.640 0.164 0.000 0.194 847 D C 1.911 178.199 176.300 -0.020 0.000 0.994 847 D CA 0.967 54.965 54.000 -0.003 0.000 0.830 847 D CB -0.649 40.156 40.800 0.008 0.000 0.959 847 D HN 0.176 nan 8.370 nan 0.000 0.452 848 E N 0.455 120.663 120.200 0.013 0.000 2.136 848 E HA -0.313 4.135 4.350 0.164 0.000 0.208 848 E C 2.098 178.656 176.600 -0.069 0.000 1.035 848 E CA 1.400 57.839 56.400 0.065 0.000 0.838 848 E CB -0.359 29.453 29.700 0.186 0.000 0.748 848 E HN 0.334 nan 8.360 nan 0.000 0.459 849 A N 0.943 123.560 122.820 -0.337 0.000 1.865 849 A HA -0.188 4.231 4.320 0.164 0.000 0.217 849 A C 2.341 179.571 177.584 -0.591 0.000 1.191 849 A CA 1.627 53.042 52.037 -1.037 0.000 0.623 849 A CB -0.738 17.842 19.000 -0.701 0.000 0.826 849 A HN 0.159 nan 8.150 nan 0.000 0.444 850 L N -0.119 120.948 121.223 -0.260 0.000 2.131 850 L HA -0.157 4.282 4.340 0.164 0.000 0.210 850 L C 2.415 179.255 176.870 -0.050 0.000 1.092 850 L CA 1.197 55.967 54.840 -0.117 0.000 0.759 850 L CB -0.674 41.370 42.059 -0.026 0.000 0.903 850 L HN 0.383 nan 8.230 nan 0.000 0.435 851 L N -0.945 120.260 121.223 -0.031 0.000 2.056 851 L HA -0.126 4.313 4.340 0.164 0.000 0.207 851 L C 2.794 179.707 176.870 0.072 0.000 1.078 851 L CA 1.040 55.910 54.840 0.051 0.000 0.749 851 L CB -1.103 40.985 42.059 0.047 0.000 0.901 851 L HN 0.246 nan 8.230 nan 0.000 0.433 852 A N 0.301 123.123 122.820 0.004 0.000 1.978 852 A HA -0.130 4.288 4.320 0.164 0.000 0.220 852 A C 2.359 179.962 177.584 0.032 0.000 1.170 852 A CA 1.893 53.951 52.037 0.034 0.000 0.636 852 A CB -0.799 18.279 19.000 0.131 0.000 0.810 852 A HN 0.217 nan 8.150 nan 0.000 0.448 853 V N -0.222 119.683 119.914 -0.015 0.000 2.244 853 V HA -0.216 4.002 4.120 0.164 0.000 0.244 853 V C 2.989 179.115 176.094 0.052 0.000 1.042 853 V CA 1.851 64.157 62.300 0.009 0.000 1.006 853 V CB -1.458 30.356 31.823 -0.014 0.000 0.641 853 V HN 0.578 nan 8.190 nan 0.000 0.446 854 A N -1.591 121.268 122.820 0.065 0.000 2.131 854 A HA -0.245 4.174 4.320 0.164 0.000 0.220 854 A C 2.007 179.616 177.584 0.041 0.000 1.158 854 A CA 1.667 53.741 52.037 0.061 0.000 0.665 854 A CB -0.773 18.270 19.000 0.072 0.000 0.795 854 A HN 0.734 nan 8.150 nan 0.000 0.460 855 H N -2.065 117.008 119.070 0.006 0.000 2.586 855 H HA 0.237 4.892 4.556 0.164 0.000 0.273 855 H C 1.597 176.928 175.328 0.006 0.000 0.997 855 H CA 0.666 56.718 56.048 0.006 0.000 1.177 855 H CB 0.435 30.198 29.762 0.002 0.000 1.471 855 H HN 0.630 nan 8.280 nan 0.000 0.538 856 G N 1.115 109.972 108.800 0.095 0.000 2.157 856 G HA2 -0.231 3.828 3.960 0.164 0.000 0.239 856 G HA3 -0.231 3.828 3.960 0.164 0.000 0.239 856 G C 1.089 176.024 174.900 0.057 0.000 0.982 856 G CA 0.362 45.501 45.100 0.066 0.000 0.650 856 G HN 0.260 nan 8.290 nan 0.000 0.527 857 I N 0.479 121.070 120.570 0.035 0.000 2.233 857 I HA 0.081 4.349 4.170 0.164 0.000 0.243 857 I C 1.640 177.765 176.117 0.013 0.000 1.093 857 I CA 2.118 63.394 61.300 -0.041 0.000 1.380 857 I CB -0.767 37.124 38.000 -0.181 0.000 1.067 857 I HN 0.573 nan 8.210 nan 0.000 0.413 858 V N -1.286 118.656 119.914 0.047 0.000 2.709 858 V HA 0.543 4.762 4.120 0.164 0.000 0.308 858 V C -0.828 175.318 176.094 0.087 0.000 1.062 858 V CA -1.158 61.217 62.300 0.126 0.000 0.901 858 V CB 2.052 33.986 31.823 0.184 0.000 1.003 858 V HN -0.056 nan 8.190 nan 0.000 0.425 859 D N 2.471 122.930 120.400 0.098 0.000 2.344 859 D HA 0.402 5.141 4.640 0.164 0.000 0.244 859 D C 1.188 177.519 176.300 0.051 0.000 1.134 859 D CA -0.295 53.749 54.000 0.073 0.000 0.930 859 D CB 1.707 42.557 40.800 0.083 0.000 1.175 859 D HN 0.574 nan 8.370 nan 0.000 0.437 860 L N 0.500 121.738 121.223 0.026 0.000 2.042 860 L HA -0.243 4.196 4.340 0.164 0.000 0.210 860 L C 1.524 178.387 176.870 -0.011 0.000 1.076 860 L CA 1.451 56.282 54.840 -0.014 0.000 0.749 860 L CB -0.159 41.865 42.059 -0.057 0.000 0.893 860 L HN 0.322 nan 8.230 nan 0.000 0.432 861 Q N -0.464 119.345 119.800 0.015 0.000 2.291 861 Q HA 0.067 4.506 4.340 0.164 0.000 0.211 861 Q C -0.559 175.464 176.000 0.038 0.000 0.925 861 Q CA 0.279 56.101 55.803 0.033 0.000 0.949 861 Q CB -0.268 28.543 28.738 0.121 0.000 1.015 861 Q HN 0.219 nan 8.270 nan 0.000 0.477 862 D N -0.068 120.361 120.400 0.049 0.000 2.175 862 D HA 0.181 4.919 4.640 0.164 0.000 0.248 862 D C -0.529 175.812 176.300 0.069 0.000 1.047 862 D CA -0.632 53.408 54.000 0.066 0.000 0.883 862 D CB 1.730 42.598 40.800 0.114 0.000 1.180 862 D HN -0.106 nan 8.370 nan 0.000 0.438 863 V N 1.883 121.828 119.914 0.052 0.000 2.370 863 V HA 0.314 4.532 4.120 0.164 0.000 0.257 863 V C 0.593 176.740 176.094 0.088 0.000 1.064 863 V CA -0.422 61.908 62.300 0.050 0.000 0.975 863 V CB 0.077 31.911 31.823 0.018 0.000 1.067 863 V HN 0.211 nan 8.190 nan 0.000 0.485 864 V N 2.887 122.885 119.914 0.139 0.000 3.145 864 V HA 0.748 4.967 4.120 0.164 0.000 0.311 864 V C 0.338 176.540 176.094 0.180 0.000 1.238 864 V CA -0.542 61.885 62.300 0.212 0.000 1.066 864 V CB 2.289 34.391 31.823 0.465 0.000 1.144 864 V HN 0.848 nan 8.190 nan 0.000 0.465 865 T N -0.923 113.754 114.554 0.205 0.000 2.823 865 T HA 0.831 5.279 4.350 0.164 0.000 0.279 865 T C -0.897 173.944 174.700 0.234 0.000 0.998 865 T CA -0.626 61.567 62.100 0.154 0.000 0.994 865 T CB 1.447 70.368 68.868 0.088 0.000 0.960 865 T HN 0.558 nan 8.240 nan 0.000 0.448 866 V N 2.614 122.633 119.914 0.174 0.000 2.733 866 V HA 0.506 4.724 4.120 0.164 0.000 0.306 866 V C -0.101 176.074 176.094 0.136 0.000 1.084 866 V CA -1.051 61.366 62.300 0.194 0.000 0.905 866 V CB 2.125 34.057 31.823 0.182 0.000 1.010 866 V HN 0.920 nan 8.190 nan 0.000 0.424 867 R N 2.917 123.494 120.500 0.128 0.000 2.242 867 R HA 0.336 4.775 4.340 0.164 0.000 0.334 867 R C -1.223 175.133 176.300 0.092 0.000 1.071 867 R CA 0.108 56.259 56.100 0.085 0.000 0.922 867 R CB 0.455 30.786 30.300 0.052 0.000 1.023 867 R HN 0.778 nan 8.270 nan 0.000 0.458 868 Y N 2.730 122.991 120.300 -0.065 0.000 2.698 868 Y HA 0.084 4.732 4.550 0.164 0.000 0.349 868 Y C 1.894 177.732 175.900 -0.104 0.000 1.242 868 Y CA -0.410 57.626 58.100 -0.107 0.000 1.341 868 Y CB 0.686 39.029 38.460 -0.194 0.000 1.558 868 Y HN 0.447 nan 8.280 nan 0.000 0.649 869 M N -0.106 119.349 119.600 -0.241 0.000 2.089 869 M HA -0.196 4.382 4.480 0.164 0.000 0.257 869 M C 1.221 177.493 176.300 -0.046 0.000 1.071 869 M CA 2.540 57.746 55.300 -0.157 0.000 1.096 869 M CB -0.701 31.856 32.600 -0.072 0.000 1.330 869 M HN 0.799 nan 8.290 nan 0.000 0.403 870 G N -0.575 108.224 108.800 -0.003 0.000 3.738 870 G HA2 0.254 4.313 3.960 0.164 0.000 0.241 870 G HA3 0.254 4.313 3.960 0.164 0.000 0.241 870 G C -0.042 174.861 174.900 0.005 0.000 1.068 870 G CA -0.394 44.708 45.100 0.004 0.000 0.899 870 G HN 0.216 nan 8.290 nan 0.000 0.519 871 K N 0.531 120.931 120.400 -0.000 0.000 2.469 871 K HA 0.487 4.905 4.320 0.164 0.000 0.254 871 K C -0.697 175.909 176.600 0.011 0.000 0.939 871 K CA -0.907 55.377 56.287 -0.004 0.000 0.812 871 K CB 2.272 34.752 32.500 -0.034 0.000 1.301 871 K HN -0.085 nan 8.250 nan 0.000 0.433 872 R N 2.605 123.114 120.500 0.014 0.000 2.308 872 R HA 0.249 4.687 4.340 0.164 0.000 0.325 872 R C -0.461 175.850 176.300 0.019 0.000 1.161 872 R CA -0.250 55.866 56.100 0.027 0.000 1.022 872 R CB -0.152 30.164 30.300 0.027 0.000 1.091 872 R HN 0.322 nan 8.270 nan 0.000 0.497 873 L N 2.693 123.926 121.223 0.017 0.000 2.312 873 L HA 0.235 4.673 4.340 0.164 0.000 0.281 873 L C 0.542 177.427 176.870 0.024 0.000 1.070 873 L CA -0.293 54.545 54.840 -0.003 0.000 0.805 873 L CB 1.266 43.291 42.059 -0.058 0.000 1.174 873 L HN 0.402 nan 8.230 nan 0.000 0.434 874 E N 2.683 122.895 120.200 0.020 0.000 2.069 874 E HA 0.250 4.699 4.350 0.164 0.000 0.254 874 E C -0.875 175.740 176.600 0.025 0.000 1.088 874 E CA -0.172 56.248 56.400 0.034 0.000 1.017 874 E CB 0.624 30.342 29.700 0.030 0.000 1.226 874 E HN 0.522 nan 8.360 nan 0.000 0.458 875 T N 0.355 114.927 114.554 0.030 0.000 2.903 875 T HA 0.254 4.702 4.350 0.164 0.000 0.299 875 T C -0.064 174.653 174.700 0.029 0.000 1.093 875 T CA -0.888 61.221 62.100 0.015 0.000 1.002 875 T CB 1.745 70.606 68.868 -0.011 0.000 1.127 875 T HN 0.347 nan 8.240 nan 0.000 0.488 876 S N 1.714 117.421 115.700 0.012 0.000 2.593 876 S HA 0.269 4.837 4.470 0.164 0.000 0.269 876 S C -1.803 172.791 174.600 -0.010 0.000 1.334 876 S CA -0.883 57.325 58.200 0.013 0.000 1.015 876 S CB 0.629 63.826 63.200 -0.005 0.000 0.912 876 S HN 0.340 nan 8.310 nan 0.000 0.541 877 P HA -0.016 nan 4.420 nan 0.000 0.215 877 P C 1.757 179.024 177.300 -0.054 0.000 1.157 877 P CA 1.805 64.866 63.100 -0.065 0.000 0.874 877 P CB -0.547 31.104 31.700 -0.081 0.000 0.790 878 G N 0.318 109.078 108.800 -0.067 0.000 2.553 878 G HA2 -0.304 3.755 3.960 0.164 0.000 0.218 878 G HA3 -0.304 3.755 3.960 0.164 0.000 0.218 878 G C 1.693 176.559 174.900 -0.056 0.000 1.195 878 G CA 0.878 45.914 45.100 -0.108 0.000 0.779 878 G HN 0.124 nan 8.290 nan 0.000 0.577 879 R N 0.046 120.523 120.500 -0.038 0.000 2.112 879 R HA -0.088 4.350 4.340 0.164 0.000 0.242 879 R C 2.600 178.940 176.300 0.066 0.000 1.137 879 R CA 1.387 57.498 56.100 0.018 0.000 0.944 879 R CB -1.165 29.132 30.300 -0.005 0.000 0.857 879 R HN 0.489 nan 8.270 nan 0.000 0.435 880 I N 0.853 121.428 120.570 0.009 0.000 2.163 880 I HA -0.311 3.957 4.170 0.164 0.000 0.243 880 I C 2.379 178.508 176.117 0.021 0.000 1.085 880 I CA 1.011 62.308 61.300 -0.005 0.000 1.347 880 I CB -0.157 37.837 38.000 -0.009 0.000 1.044 880 I HN 0.085 nan 8.210 nan 0.000 0.408 881 L N 0.375 121.613 121.223 0.024 0.000 2.043 881 L HA -0.289 4.149 4.340 0.164 0.000 0.212 881 L C 2.203 179.101 176.870 0.047 0.000 1.075 881 L CA 2.014 56.878 54.840 0.041 0.000 0.752 881 L CB -1.198 40.882 42.059 0.034 0.000 0.891 881 L HN 0.301 nan 8.230 nan 0.000 0.432 882 F N 0.701 120.595 119.950 -0.093 0.000 2.126 882 F HA -0.203 4.423 4.527 0.164 0.000 0.299 882 F C 2.319 178.076 175.800 -0.072 0.000 1.096 882 F CA 1.556 59.498 58.000 -0.095 0.000 1.255 882 F CB -0.999 37.952 39.000 -0.082 0.000 0.997 882 F HN 0.199 nan 8.300 nan 0.000 0.479 883 A N 1.111 123.833 122.820 -0.162 0.000 1.892 883 A HA -0.263 4.156 4.320 0.164 0.000 0.218 883 A C 2.527 179.998 177.584 -0.188 0.000 1.188 883 A CA 1.959 53.861 52.037 -0.225 0.000 0.631 883 A CB -0.992 17.935 19.000 -0.122 0.000 0.822 883 A HN 0.441 nan 8.150 nan 0.000 0.447 884 R N -0.241 120.204 120.500 -0.093 0.000 2.083 884 R HA -0.148 4.291 4.340 0.164 0.000 0.237 884 R C 1.938 178.164 176.300 -0.123 0.000 1.137 884 R CA 1.948 58.020 56.100 -0.046 0.000 0.951 884 R CB -0.553 29.754 30.300 0.012 0.000 0.851 884 R HN 0.465 nan 8.270 nan 0.000 0.434 885 I N 0.948 121.374 120.570 -0.242 0.000 2.151 885 I HA -0.245 4.023 4.170 0.164 0.000 0.243 885 I C 2.569 178.528 176.117 -0.263 0.000 1.080 885 I CA 1.064 62.139 61.300 -0.374 0.000 1.339 885 I CB -1.488 36.125 38.000 -0.645 0.000 1.039 885 I HN -0.001 nan 8.210 nan 0.000 0.409 886 V N 1.334 121.038 119.914 -0.351 0.000 2.307 886 V HA -0.150 4.069 4.120 0.164 0.000 0.245 886 V C 2.775 178.788 176.094 -0.136 0.000 1.045 886 V CA 1.634 63.769 62.300 -0.274 0.000 1.024 886 V CB -1.410 30.151 31.823 -0.436 0.000 0.651 886 V HN 0.464 nan 8.190 nan 0.000 0.449 887 A N -0.820 121.934 122.820 -0.111 0.000 2.131 887 A HA -0.211 4.207 4.320 0.164 0.000 0.220 887 A C 2.201 179.779 177.584 -0.011 0.000 1.158 887 A CA 1.754 53.776 52.037 -0.024 0.000 0.665 887 A CB -0.375 18.642 19.000 0.028 0.000 0.795 887 A HN 0.651 nan 8.150 nan 0.000 0.460 888 E N -0.690 119.494 120.200 -0.026 0.000 2.075 888 E HA 0.073 4.521 4.350 0.164 0.000 0.190 888 E C 2.445 179.050 176.600 0.009 0.000 0.969 888 E CA 0.564 56.966 56.400 0.005 0.000 0.815 888 E CB -0.208 29.508 29.700 0.026 0.000 0.776 888 E HN 0.553 nan 8.360 nan 0.000 0.457 889 A N 1.568 124.388 122.820 -0.001 0.000 1.896 889 A HA -0.167 4.252 4.320 0.164 0.000 0.220 889 A C 1.425 179.014 177.584 0.008 0.000 1.206 889 A CA 1.756 53.801 52.037 0.014 0.000 0.647 889 A CB -0.791 18.213 19.000 0.007 0.000 0.828 889 A HN 0.161 nan 8.150 nan 0.000 0.455 890 V N -2.640 117.272 119.914 -0.003 0.000 2.384 890 V HA 0.539 4.758 4.120 0.164 0.000 0.287 890 V C 0.649 176.744 176.094 0.001 0.000 1.020 890 V CA -0.038 62.261 62.300 -0.002 0.000 0.850 890 V CB 1.366 33.186 31.823 -0.006 0.000 0.987 890 V HN 0.405 nan 8.190 nan 0.000 0.436 891 E N 2.863 123.065 120.200 0.002 0.000 2.171 891 E HA -0.217 4.231 4.350 0.164 0.000 0.197 891 E C 0.759 177.367 176.600 0.014 0.000 0.997 891 E CA 1.560 57.964 56.400 0.007 0.000 0.810 891 E CB -0.208 29.494 29.700 0.003 0.000 0.738 891 E HN 0.908 nan 8.360 nan 0.000 0.467 892 D N 0.442 120.849 120.400 0.011 0.000 2.541 892 D HA -0.010 4.728 4.640 0.164 0.000 0.231 892 D C 0.690 177.015 176.300 0.042 0.000 1.163 892 D CA 0.173 54.186 54.000 0.021 0.000 1.077 892 D CB 0.017 40.822 40.800 0.009 0.000 1.110 892 D HN 0.265 nan 8.370 nan 0.000 0.499 893 E N 1.967 122.203 120.200 0.060 0.000 2.114 893 E HA -0.294 4.154 4.350 0.164 0.000 0.199 893 E C 1.337 178.042 176.600 0.175 0.000 1.008 893 E CA 1.284 57.746 56.400 0.103 0.000 0.810 893 E CB 0.327 30.088 29.700 0.102 0.000 0.739 893 E HN 0.317 nan 8.360 nan 0.000 0.456 894 K N -0.166 120.334 120.400 0.167 0.000 2.025 894 K HA -0.101 4.318 4.320 0.164 0.000 0.207 894 K C 2.166 178.838 176.600 0.121 0.000 1.049 894 K CA 1.388 57.816 56.287 0.234 0.000 0.933 894 K CB -0.200 32.397 32.500 0.161 0.000 0.714 894 K HN 0.130 nan 8.250 nan 0.000 0.438 895 V N 1.684 121.623 119.914 0.043 0.000 2.913 895 V HA -0.179 4.040 4.120 0.164 0.000 0.260 895 V C 2.344 178.418 176.094 -0.033 0.000 1.098 895 V CA 1.551 63.835 62.300 -0.025 0.000 1.121 895 V CB -0.766 31.044 31.823 -0.022 0.000 0.714 895 V HN 0.286 nan 8.190 nan 0.000 0.487 896 A N 1.235 124.072 122.820 0.028 0.000 1.832 896 A HA -0.210 4.208 4.320 0.164 0.000 0.214 896 A C 2.085 179.690 177.584 0.035 0.000 1.200 896 A CA 1.575 53.626 52.037 0.023 0.000 0.610 896 A CB -0.873 18.155 19.000 0.045 0.000 0.842 896 A HN 0.811 nan 8.150 nan 0.000 0.444 897 W N 1.125 122.399 121.300 -0.043 0.000 2.721 897 W HA -0.016 4.743 4.660 0.164 0.000 0.245 897 W C 0.792 177.294 176.519 -0.029 0.000 1.276 897 W CA 1.129 58.440 57.345 -0.057 0.000 1.342 897 W CB -0.365 29.045 29.460 -0.084 0.000 1.135 897 W HN 0.525 nan 8.180 nan 0.000 0.654 898 E N 1.206 121.070 120.200 -0.560 0.000 2.274 898 E HA -0.150 4.299 4.350 0.164 0.000 0.194 898 E C 1.553 177.945 176.600 -0.348 0.000 0.996 898 E CA 1.210 57.233 56.400 -0.630 0.000 0.840 898 E CB -0.088 29.384 29.700 -0.381 0.000 0.772 898 E HN 0.378 nan 8.360 nan 0.000 0.491 899 L N -1.421 119.687 121.223 -0.192 0.000 3.014 899 L HA 0.403 4.842 4.340 0.164 0.000 0.263 899 L C 0.178 177.036 176.870 -0.020 0.000 1.207 899 L CA -0.299 54.487 54.840 -0.090 0.000 1.017 899 L CB -0.022 42.005 42.059 -0.054 0.000 1.360 899 L HN -0.095 nan 8.230 nan 0.000 0.560 900 I N -1.078 119.489 120.570 -0.004 0.000 2.785 900 I HA 0.634 4.903 4.170 0.164 0.000 0.302 900 I C -1.151 175.036 176.117 0.117 0.000 1.069 900 I CA -0.712 60.643 61.300 0.091 0.000 1.045 900 I CB 2.312 40.369 38.000 0.096 0.000 1.236 900 I HN 0.254 nan 8.210 nan 0.000 0.429 901 Q N 6.527 126.417 119.800 0.149 0.000 2.413 901 Q HA 0.390 4.829 4.340 0.164 0.000 0.258 901 Q C -0.678 175.404 176.000 0.137 0.000 1.037 901 Q CA -0.766 55.112 55.803 0.125 0.000 0.764 901 Q CB 1.648 30.433 28.738 0.078 0.000 1.217 901 Q HN 0.910 nan 8.270 nan 0.000 0.490 902 L N -1.195 120.114 121.223 0.144 0.000 2.805 902 L HA 0.401 4.840 4.340 0.164 0.000 0.237 902 L C -0.093 176.805 176.870 0.046 0.000 1.252 902 L CA -0.092 54.812 54.840 0.108 0.000 1.064 902 L CB -0.078 42.040 42.059 0.098 0.000 1.361 902 L HN 0.323 nan 8.230 nan 0.000 0.474 903 D N 0.420 120.844 120.400 0.040 0.000 2.398 903 D HA 0.201 4.939 4.640 0.164 0.000 0.210 903 D C 0.256 176.551 176.300 -0.009 0.000 1.094 903 D CA 0.557 54.569 54.000 0.018 0.000 0.839 903 D CB 1.278 42.098 40.800 0.034 0.000 0.963 903 D HN 0.337 nan 8.370 nan 0.000 0.506 904 V N -3.165 116.731 119.914 -0.030 0.000 3.178 904 V HA 0.591 4.810 4.120 0.164 0.000 0.302 904 V C -3.015 172.996 176.094 -0.138 0.000 1.262 904 V CA -2.392 59.868 62.300 -0.067 0.000 1.030 904 V CB 1.940 33.741 31.823 -0.035 0.000 1.074 904 V HN -0.338 nan 8.190 nan 0.000 0.438 905 P HA 0.246 nan 4.420 nan 0.000 0.269 905 P C -0.999 176.122 177.300 -0.299 0.000 1.215 905 P CA 0.013 62.868 63.100 -0.409 0.000 0.780 905 P CB 0.272 31.504 31.700 -0.779 0.000 0.898 906 Q N 1.945 121.542 119.800 -0.337 0.000 2.307 906 Q HA 0.102 4.540 4.340 0.164 0.000 0.261 906 Q C 0.239 176.236 176.000 -0.004 0.000 1.051 906 Q CA 0.475 56.142 55.803 -0.227 0.000 0.911 906 Q CB 0.281 28.742 28.738 -0.462 0.000 1.227 906 Q HN 0.505 nan 8.270 nan 0.000 0.418 907 E N 2.019 122.246 120.200 0.046 0.000 2.239 907 E HA 0.109 4.557 4.350 0.164 0.000 0.261 907 E C 0.542 177.183 176.600 0.068 0.000 1.016 907 E CA -0.539 55.930 56.400 0.115 0.000 0.882 907 E CB 1.031 30.794 29.700 0.105 0.000 1.190 907 E HN 0.478 nan 8.360 nan 0.000 0.415 908 K N 1.736 122.174 120.400 0.062 0.000 2.160 908 K HA -0.219 4.200 4.320 0.164 0.000 0.206 908 K C 1.182 177.812 176.600 0.051 0.000 1.047 908 K CA 1.943 58.261 56.287 0.051 0.000 0.930 908 K CB -0.018 32.507 32.500 0.042 0.000 0.720 908 K HN 0.426 nan 8.250 nan 0.000 0.450 909 N N 0.386 119.116 118.700 0.050 0.000 2.173 909 N HA -0.115 4.724 4.740 0.164 0.000 0.184 909 N C 1.923 177.468 175.510 0.058 0.000 1.025 909 N CA 1.564 54.643 53.050 0.047 0.000 0.852 909 N CB -0.322 38.191 38.487 0.043 0.000 0.998 909 N HN 0.341 nan 8.380 nan 0.000 0.427 910 S N 1.049 116.782 115.700 0.055 0.000 2.400 910 S HA -0.090 4.479 4.470 0.164 0.000 0.232 910 S C 2.066 176.719 174.600 0.089 0.000 1.025 910 S CA 0.893 59.130 58.200 0.062 0.000 0.993 910 S CB -0.493 62.727 63.200 0.034 0.000 0.808 910 S HN 0.092 nan 8.310 nan 0.000 0.478 911 L N 1.560 122.832 121.223 0.082 0.000 2.127 911 L HA 0.197 4.636 4.340 0.164 0.000 0.203 911 L C 2.638 179.575 176.870 0.111 0.000 1.080 911 L CA 1.453 56.362 54.840 0.114 0.000 0.768 911 L CB -0.611 41.507 42.059 0.098 0.000 0.924 911 L HN 0.279 nan 8.230 nan 0.000 0.444 912 K N 0.220 120.671 120.400 0.084 0.000 2.000 912 K HA -0.276 4.143 4.320 0.164 0.000 0.218 912 K C 1.730 178.396 176.600 0.110 0.000 1.053 912 K CA 2.312 58.642 56.287 0.072 0.000 0.946 912 K CB -0.216 32.307 32.500 0.039 0.000 0.723 912 K HN 0.201 nan 8.250 nan 0.000 0.446 913 D N 0.824 121.293 120.400 0.115 0.000 2.182 913 D HA -0.189 4.550 4.640 0.164 0.000 0.201 913 D C 1.831 178.238 176.300 0.178 0.000 0.986 913 D CA 0.794 54.895 54.000 0.168 0.000 0.847 913 D CB -0.135 40.747 40.800 0.136 0.000 0.942 913 D HN 0.288 nan 8.370 nan 0.000 0.467 914 L N 0.336 121.649 121.223 0.149 0.000 2.056 914 L HA -0.154 4.284 4.340 0.164 0.000 0.207 914 L C 2.117 179.070 176.870 0.139 0.000 1.078 914 L CA 0.865 55.788 54.840 0.139 0.000 0.749 914 L CB -0.080 42.080 42.059 0.167 0.000 0.901 914 L HN -0.073 nan 8.230 nan 0.000 0.433 915 V N -0.500 119.505 119.914 0.151 0.000 2.220 915 V HA -0.373 3.845 4.120 0.164 0.000 0.246 915 V C 2.255 178.468 176.094 0.199 0.000 1.049 915 V CA 2.271 64.661 62.300 0.150 0.000 1.003 915 V CB -1.136 30.759 31.823 0.120 0.000 0.634 915 V HN 0.511 nan 8.190 nan 0.000 0.444 916 Y N 1.085 121.427 120.300 0.071 0.000 2.102 916 Y HA -0.364 4.284 4.550 0.164 0.000 0.280 916 Y C 2.704 178.699 175.900 0.159 0.000 1.178 916 Y CA 2.432 60.588 58.100 0.093 0.000 1.146 916 Y CB -0.660 37.828 38.460 0.046 0.000 0.968 916 Y HN 0.252 nan 8.280 nan 0.000 0.504 917 Q N 0.046 119.867 119.800 0.036 0.000 2.061 917 Q HA -0.152 4.287 4.340 0.164 0.000 0.204 917 Q C 2.484 178.471 176.000 -0.021 0.000 0.984 917 Q CA 2.164 57.934 55.803 -0.056 0.000 0.846 917 Q CB -0.835 27.913 28.738 0.016 0.000 0.902 917 Q HN 0.572 nan 8.270 nan 0.000 0.421 918 A N -0.595 122.254 122.820 0.049 0.000 1.940 918 A HA -0.193 4.226 4.320 0.164 0.000 0.219 918 A C 1.982 179.608 177.584 0.070 0.000 1.176 918 A CA 1.463 53.531 52.037 0.051 0.000 0.631 918 A CB -0.972 18.074 19.000 0.076 0.000 0.814 918 A HN 0.514 nan 8.150 nan 0.000 0.446 919 F N 0.557 120.481 119.950 -0.042 0.000 2.069 919 F HA -0.168 4.457 4.527 0.163 0.000 0.298 919 F C 1.905 177.656 175.800 -0.082 0.000 1.113 919 F CA 2.003 59.978 58.000 -0.042 0.000 1.214 919 F CB -0.391 38.607 39.000 -0.003 0.000 0.978 919 F HN 0.150 nan 8.300 nan 0.000 0.474 920 L N -0.451 120.729 121.223 -0.071 0.000 2.093 920 L HA -0.150 4.288 4.340 0.164 0.000 0.208 920 L C 2.611 179.394 176.870 -0.145 0.000 1.085 920 L CA 0.942 55.690 54.840 -0.154 0.000 0.755 920 L CB -0.734 41.232 42.059 -0.154 0.000 0.904 920 L HN -0.046 nan 8.230 nan 0.000 0.435 921 R N 0.545 120.979 120.500 -0.109 0.000 2.052 921 R HA 0.084 4.523 4.340 0.164 0.000 0.226 921 R C 2.070 178.315 176.300 -0.093 0.000 1.145 921 R CA 1.328 57.375 56.100 -0.088 0.000 0.952 921 R CB -0.713 29.548 30.300 -0.065 0.000 0.847 921 R HN 0.361 nan 8.270 nan 0.000 0.431 922 L N -0.951 120.221 121.223 -0.086 0.000 2.585 922 L HA 0.375 4.814 4.340 0.164 0.000 0.226 922 L C 0.852 177.655 176.870 -0.111 0.000 1.113 922 L CA 0.217 55.009 54.840 -0.080 0.000 0.876 922 L CB -0.093 41.939 42.059 -0.046 0.000 1.072 922 L HN 0.289 nan 8.230 nan 0.000 0.468 923 G N 0.308 108.998 108.800 -0.184 0.000 2.462 923 G HA2 -0.189 3.869 3.960 0.164 0.000 0.685 923 G HA3 -0.189 3.869 3.960 0.164 0.000 0.685 923 G C -0.151 174.592 174.900 -0.261 0.000 1.295 923 G CA -0.021 44.931 45.100 -0.247 0.000 0.941 923 G HN -0.026 nan 8.290 nan 0.000 0.554 924 M N 0.215 119.656 119.600 -0.266 0.000 2.085 924 M HA 0.025 4.603 4.480 0.164 0.000 0.258 924 M C 2.697 179.051 176.300 0.090 0.000 1.089 924 M CA 2.453 57.712 55.300 -0.068 0.000 1.123 924 M CB -0.487 32.089 32.600 -0.041 0.000 1.284 924 M HN 0.838 nan 8.290 nan 0.000 0.421 925 E N 0.444 120.683 120.200 0.065 0.000 2.130 925 E HA -0.273 4.175 4.350 0.164 0.000 0.196 925 E C 1.699 178.332 176.600 0.055 0.000 0.998 925 E CA 1.475 57.934 56.400 0.099 0.000 0.806 925 E CB -0.676 29.080 29.700 0.093 0.000 0.738 925 E HN 0.592 nan 8.360 nan 0.000 0.459 926 K N 0.414 120.826 120.400 0.021 0.000 2.063 926 K HA -0.090 4.329 4.320 0.164 0.000 0.208 926 K C 2.356 178.980 176.600 0.040 0.000 1.048 926 K CA 1.973 58.268 56.287 0.014 0.000 0.928 926 K CB -0.283 32.211 32.500 -0.010 0.000 0.713 926 K HN 0.286 nan 8.250 nan 0.000 0.442 927 T N 1.216 115.813 114.554 0.070 0.000 2.708 927 T HA -0.159 4.290 4.350 0.164 0.000 0.266 927 T C 2.106 176.866 174.700 0.100 0.000 1.037 927 T CA 1.350 63.516 62.100 0.110 0.000 1.146 927 T CB -0.395 68.603 68.868 0.217 0.000 0.865 927 T HN 0.283 nan 8.240 nan 0.000 0.435 928 A N 2.254 125.137 122.820 0.104 0.000 1.927 928 A HA -0.264 4.154 4.320 0.164 0.000 0.220 928 A C 2.439 180.060 177.584 0.061 0.000 1.185 928 A CA 2.016 54.099 52.037 0.077 0.000 0.639 928 A CB -0.697 18.348 19.000 0.075 0.000 0.820 928 A HN 0.501 nan 8.150 nan 0.000 0.451 929 R N -1.280 119.250 120.500 0.050 0.000 2.083 929 R HA -0.134 4.304 4.340 0.164 0.000 0.237 929 R C 2.175 178.512 176.300 0.061 0.000 1.137 929 R CA 1.495 57.620 56.100 0.041 0.000 0.951 929 R CB -0.628 29.686 30.300 0.023 0.000 0.851 929 R HN 0.526 nan 8.270 nan 0.000 0.434 930 L N 1.201 122.460 121.223 0.060 0.000 2.046 930 L HA -0.127 4.312 4.340 0.164 0.000 0.208 930 L C 1.911 178.836 176.870 0.092 0.000 1.077 930 L CA 1.590 56.469 54.840 0.065 0.000 0.747 930 L CB -0.421 41.669 42.059 0.052 0.000 0.896 930 L HN 0.136 nan 8.230 nan 0.000 0.432 931 L N -0.464 120.814 121.223 0.091 0.000 1.971 931 L HA -0.275 4.163 4.340 0.164 0.000 0.215 931 L C 2.432 179.376 176.870 0.123 0.000 1.072 931 L CA 1.882 56.780 54.840 0.098 0.000 0.758 931 L CB -1.006 41.096 42.059 0.073 0.000 0.889 931 L HN 0.347 nan 8.230 nan 0.000 0.433 932 D N -0.077 120.402 120.400 0.131 0.000 2.133 932 D HA -0.235 4.503 4.640 0.164 0.000 0.195 932 D C 2.115 178.529 176.300 0.191 0.000 0.997 932 D CA 1.661 55.767 54.000 0.176 0.000 0.840 932 D CB 0.029 40.916 40.800 0.144 0.000 0.947 932 D HN 0.399 nan 8.370 nan 0.000 0.452 933 A N 1.400 124.329 122.820 0.182 0.000 1.849 933 A HA -0.198 4.221 4.320 0.164 0.000 0.217 933 A C 2.466 180.271 177.584 0.368 0.000 1.202 933 A CA 1.217 53.421 52.037 0.279 0.000 0.629 933 A CB -1.052 18.056 19.000 0.181 0.000 0.834 933 A HN 0.206 nan 8.150 nan 0.000 0.447 934 L N -0.499 120.863 121.223 0.231 0.000 2.042 934 L HA -0.254 4.185 4.340 0.164 0.000 0.210 934 L C 2.749 179.685 176.870 0.110 0.000 1.076 934 L CA 2.085 57.053 54.840 0.215 0.000 0.749 934 L CB -0.454 41.706 42.059 0.168 0.000 0.893 934 L HN 0.557 nan 8.230 nan 0.000 0.432 935 K N -0.339 120.073 120.400 0.021 0.000 2.063 935 K HA -0.281 4.137 4.320 0.164 0.000 0.208 935 K C 2.236 178.637 176.600 -0.332 0.000 1.048 935 K CA 1.993 58.117 56.287 -0.271 0.000 0.928 935 K CB -0.351 32.123 32.500 -0.044 0.000 0.713 935 K HN 0.260 nan 8.250 nan 0.000 0.442 936 Y N 0.050 120.303 120.300 -0.078 0.000 2.109 936 Y HA -0.282 4.366 4.550 0.164 0.000 0.285 936 Y C 2.016 177.867 175.900 -0.083 0.000 1.131 936 Y CA 1.876 59.949 58.100 -0.045 0.000 1.121 936 Y CB -0.354 38.077 38.460 -0.047 0.000 0.987 936 Y HN 0.059 nan 8.280 nan 0.000 0.495 937 Y N 0.098 120.363 120.300 -0.058 0.000 2.114 937 Y HA -0.152 4.496 4.550 0.164 0.000 0.284 937 Y C 2.763 178.626 175.900 -0.062 0.000 1.143 937 Y CA 1.544 59.539 58.100 -0.176 0.000 1.135 937 Y CB -1.191 37.386 38.460 0.196 0.000 0.980 937 Y HN 0.233 nan 8.280 nan 0.000 0.499 938 G N -0.478 108.451 108.800 0.215 0.000 2.556 938 G HA2 -0.301 3.758 3.960 0.164 0.000 0.220 938 G HA3 -0.301 3.758 3.960 0.164 0.000 0.220 938 G C 1.691 176.695 174.900 0.174 0.000 1.156 938 G CA 1.264 46.463 45.100 0.165 0.000 0.766 938 G HN 0.437 nan 8.290 nan 0.000 0.583 939 F N 0.972 120.912 119.950 -0.016 0.000 2.113 939 F HA -0.115 4.510 4.527 0.164 0.000 0.297 939 F C 3.218 178.909 175.800 -0.182 0.000 1.103 939 F CA 1.138 59.080 58.000 -0.096 0.000 1.248 939 F CB -0.430 38.499 39.000 -0.119 0.000 0.999 939 F HN 0.103 nan 8.300 nan 0.000 0.475 940 T N 0.584 115.041 114.554 -0.162 0.000 2.595 940 T HA -0.235 4.214 4.350 0.164 0.000 0.264 940 T C 1.624 176.208 174.700 -0.193 0.000 1.058 940 T CA 1.590 63.481 62.100 -0.348 0.000 1.166 940 T CB -1.101 67.321 68.868 -0.743 0.000 0.863 940 T HN 0.116 nan 8.240 nan 0.000 0.415 941 F N 1.536 121.474 119.950 -0.020 0.000 2.141 941 F HA -0.215 4.410 4.527 0.164 0.000 0.300 941 F C 3.032 178.832 175.800 -0.001 0.000 1.079 941 F CA 1.051 59.064 58.000 0.022 0.000 1.264 941 F CB -0.530 38.518 39.000 0.079 0.000 1.011 941 F HN 0.186 nan 8.300 nan 0.000 0.487 942 S N -0.160 115.636 115.700 0.160 0.000 2.370 942 S HA -0.241 4.327 4.470 0.164 0.000 0.226 942 S C 2.270 176.854 174.600 -0.027 0.000 1.033 942 S CA 2.136 60.367 58.200 0.052 0.000 1.011 942 S CB -0.702 62.556 63.200 0.097 0.000 0.852 942 S HN 0.558 nan 8.310 nan 0.000 0.457 943 T N -0.579 113.957 114.554 -0.030 0.000 2.812 943 T HA -0.083 4.365 4.350 0.164 0.000 0.264 943 T C 2.017 176.693 174.700 -0.040 0.000 1.042 943 T CA 1.915 63.978 62.100 -0.061 0.000 1.140 943 T CB -1.467 67.351 68.868 -0.084 0.000 0.870 943 T HN 0.584 nan 8.240 nan 0.000 0.445 944 T N 1.329 115.880 114.554 -0.005 0.000 2.951 944 T HA -0.049 4.399 4.350 0.164 0.000 0.268 944 T C 2.357 177.086 174.700 0.048 0.000 1.073 944 T CA 1.205 63.321 62.100 0.028 0.000 1.134 944 T CB -0.895 68.011 68.868 0.063 0.000 0.884 944 T HN 0.612 nan 8.240 nan 0.000 0.479 945 S N 1.839 117.567 115.700 0.047 0.000 2.402 945 S HA 0.096 4.664 4.470 0.164 0.000 0.233 945 S C 1.911 176.498 174.600 -0.023 0.000 1.030 945 S CA 0.627 58.848 58.200 0.036 0.000 1.003 945 S CB -1.425 61.688 63.200 -0.145 0.000 0.813 945 S HN 1.462 nan 8.310 nan 0.000 0.477 946 G N 1.125 109.883 108.800 -0.071 0.000 2.326 946 G HA2 -0.145 3.914 3.960 0.164 0.000 0.286 946 G HA3 -0.145 3.914 3.960 0.164 0.000 0.286 946 G C -0.413 174.421 174.900 -0.109 0.000 1.096 946 G CA -0.039 45.026 45.100 -0.058 0.000 1.003 946 G HN 0.736 nan 8.290 nan 0.000 0.503 947 I N 0.399 120.850 120.570 -0.198 0.000 2.354 947 I HA 0.883 5.151 4.170 0.164 0.000 0.292 947 I C 0.410 176.442 176.117 -0.142 0.000 0.989 947 I CA -0.820 60.345 61.300 -0.225 0.000 1.188 947 I CB 1.741 39.498 38.000 -0.405 0.000 1.342 947 I HN 0.512 nan 8.210 nan 0.000 0.457 948 T N 3.004 117.499 114.554 -0.098 0.000 2.792 948 T HA 0.757 5.206 4.350 0.164 0.000 0.303 948 T C -0.788 173.878 174.700 -0.056 0.000 1.310 948 T CA -0.744 61.313 62.100 -0.072 0.000 1.007 948 T CB 1.135 69.971 68.868 -0.053 0.000 1.335 948 T HN 0.445 nan 8.240 nan 0.000 0.504 949 I N 0.742 121.285 120.570 -0.045 0.000 2.460 949 I HA 0.690 4.959 4.170 0.164 0.000 0.298 949 I C 0.598 176.702 176.117 -0.022 0.000 0.989 949 I CA -0.609 60.672 61.300 -0.032 0.000 1.173 949 I CB 1.819 39.803 38.000 -0.026 0.000 1.338 949 I HN 1.028 nan 8.210 nan 0.000 0.456 950 G N 4.641 113.432 108.800 -0.015 0.000 2.682 950 G HA2 0.347 4.406 3.960 0.164 0.000 0.300 950 G HA3 0.347 4.406 3.960 0.164 0.000 0.300 950 G C 0.412 175.311 174.900 -0.003 0.000 1.391 950 G CA -0.496 44.597 45.100 -0.011 0.000 0.990 950 G HN 0.722 nan 8.290 nan 0.000 0.501 951 I N 0.415 120.984 120.570 -0.002 0.000 2.300 951 I HA -0.194 4.074 4.170 0.164 0.000 0.252 951 I C 1.408 177.531 176.117 0.011 0.000 1.119 951 I CA 1.517 62.821 61.300 0.007 0.000 1.384 951 I CB 0.225 38.225 38.000 -0.000 0.000 1.062 951 I HN 0.429 nan 8.210 nan 0.000 0.426 952 D N 0.447 120.847 120.400 0.000 0.000 2.277 952 D HA -0.149 4.589 4.640 0.164 0.000 0.208 952 D C 1.706 178.000 176.300 -0.010 0.000 0.962 952 D CA 0.708 54.704 54.000 -0.007 0.000 0.865 952 D CB -0.321 40.468 40.800 -0.019 0.000 0.939 952 D HN 0.373 nan 8.370 nan 0.000 0.510 953 D N 0.760 121.158 120.400 -0.004 0.000 2.221 953 D HA -0.075 4.664 4.640 0.164 0.000 0.204 953 D C 0.534 176.867 176.300 0.054 0.000 0.982 953 D CA 0.463 54.462 54.000 -0.002 0.000 0.857 953 D CB 0.013 40.805 40.800 -0.012 0.000 0.934 953 D HN 0.049 nan 8.370 nan 0.000 0.475 954 A N 1.040 123.905 122.820 0.075 0.000 2.527 954 A HA 0.369 4.788 4.320 0.164 0.000 0.313 954 A C -0.005 177.661 177.584 0.137 0.000 1.410 954 A CA -0.375 51.751 52.037 0.148 0.000 1.060 954 A CB 0.241 19.312 19.000 0.119 0.000 1.137 954 A HN -0.077 nan 8.150 nan 0.000 0.542 955 V N 4.143 124.182 119.914 0.210 0.000 2.432 955 V HA 0.209 4.428 4.120 0.164 0.000 0.275 955 V C 0.018 176.093 176.094 -0.032 0.000 1.043 955 V CA -0.343 61.987 62.300 0.051 0.000 0.925 955 V CB 0.769 32.589 31.823 -0.005 0.000 0.985 955 V HN 0.667 nan 8.190 nan 0.000 0.466 956 I N 7.463 128.017 120.570 -0.026 0.000 2.371 956 I HA 0.368 4.637 4.170 0.164 0.000 0.290 956 I C -2.013 174.064 176.117 -0.066 0.000 1.028 956 I CA -1.843 59.433 61.300 -0.039 0.000 1.345 956 I CB 0.897 38.894 38.000 -0.006 0.000 1.407 956 I HN 0.466 nan 8.210 nan 0.000 0.501 957 P HA 0.043 nan 4.420 nan 0.000 0.268 957 P C 0.535 177.807 177.300 -0.047 0.000 1.204 957 P CA -0.112 62.926 63.100 -0.104 0.000 0.768 957 P CB 0.723 32.333 31.700 -0.151 0.000 0.842 958 E N 3.051 123.237 120.200 -0.024 0.000 2.153 958 E HA -0.216 4.233 4.350 0.164 0.000 0.194 958 E C 1.364 177.981 176.600 0.029 0.000 0.988 958 E CA 1.373 57.777 56.400 0.007 0.000 0.811 958 E CB -0.224 29.485 29.700 0.015 0.000 0.746 958 E HN 0.442 nan 8.360 nan 0.000 0.466 959 E N 0.702 120.916 120.200 0.024 0.000 2.418 959 E HA -0.193 4.255 4.350 0.164 0.000 0.197 959 E C 1.779 178.451 176.600 0.119 0.000 1.026 959 E CA 0.691 57.155 56.400 0.107 0.000 0.862 959 E CB -0.357 29.417 29.700 0.123 0.000 0.799 959 E HN 0.314 nan 8.360 nan 0.000 0.518 960 K N 2.307 122.716 120.400 0.016 0.000 2.032 960 K HA -0.225 4.194 4.320 0.164 0.000 0.209 960 K C 2.279 178.939 176.600 0.100 0.000 1.048 960 K CA 1.898 58.203 56.287 0.030 0.000 0.927 960 K CB -0.153 32.349 32.500 0.003 0.000 0.712 960 K HN 0.100 nan 8.250 nan 0.000 0.441 961 K N 0.678 121.127 120.400 0.081 0.000 2.209 961 K HA -0.231 4.188 4.320 0.164 0.000 0.204 961 K C 2.098 178.754 176.600 0.095 0.000 1.048 961 K CA 1.521 57.855 56.287 0.079 0.000 0.940 961 K CB -0.013 32.520 32.500 0.055 0.000 0.729 961 K HN 0.329 nan 8.250 nan 0.000 0.451 962 Q N -0.401 119.479 119.800 0.134 0.000 1.961 962 Q HA -0.147 4.292 4.340 0.164 0.000 0.197 962 Q C 1.723 177.798 176.000 0.125 0.000 0.977 962 Q CA 1.332 57.207 55.803 0.121 0.000 0.830 962 Q CB -0.243 28.586 28.738 0.153 0.000 0.896 962 Q HN 0.348 nan 8.270 nan 0.000 0.437 963 Y N 0.728 121.024 120.300 -0.006 0.000 2.241 963 Y HA -0.246 4.402 4.550 0.164 0.000 0.286 963 Y C 2.038 177.929 175.900 -0.015 0.000 1.166 963 Y CA 1.118 59.209 58.100 -0.016 0.000 1.203 963 Y CB -0.285 38.171 38.460 -0.007 0.000 0.977 963 Y HN 0.223 nan 8.280 nan 0.000 0.529 964 L N -0.615 120.717 121.223 0.181 0.000 2.109 964 L HA -0.163 4.275 4.340 0.164 0.000 0.207 964 L C 2.495 179.410 176.870 0.076 0.000 1.086 964 L CA 1.331 56.263 54.840 0.155 0.000 0.760 964 L CB -0.168 42.003 42.059 0.186 0.000 0.910 964 L HN 0.133 nan 8.230 nan 0.000 0.437 965 E N 0.449 120.682 120.200 0.055 0.000 2.047 965 E HA -0.300 4.148 4.350 0.164 0.000 0.191 965 E C 1.907 178.486 176.600 -0.035 0.000 0.987 965 E CA 1.649 58.060 56.400 0.018 0.000 0.799 965 E CB -0.049 29.660 29.700 0.015 0.000 0.752 965 E HN 0.301 nan 8.360 nan 0.000 0.449 966 E N 0.054 120.215 120.200 -0.066 0.000 2.085 966 E HA -0.153 4.295 4.350 0.164 0.000 0.194 966 E C 1.801 178.311 176.600 -0.151 0.000 0.994 966 E CA 1.784 58.111 56.400 -0.122 0.000 0.801 966 E CB -0.594 28.991 29.700 -0.192 0.000 0.743 966 E HN 0.336 nan 8.360 nan 0.000 0.453 967 A N 0.282 122.995 122.820 -0.179 0.000 1.929 967 A HA -0.129 4.289 4.320 0.164 0.000 0.216 967 A C 2.081 179.466 177.584 -0.330 0.000 1.176 967 A CA 1.540 53.376 52.037 -0.335 0.000 0.628 967 A CB -0.683 18.010 19.000 -0.511 0.000 0.816 967 A HN 0.356 nan 8.150 nan 0.000 0.444 968 D N 0.575 120.874 120.400 -0.168 0.000 2.087 968 D HA -0.228 4.511 4.640 0.164 0.000 0.192 968 D C 2.248 178.517 176.300 -0.053 0.000 0.993 968 D CA 1.884 55.855 54.000 -0.049 0.000 0.828 968 D CB -0.261 40.565 40.800 0.043 0.000 0.968 968 D HN 0.603 nan 8.370 nan 0.000 0.448 969 R N 0.526 120.992 120.500 -0.056 0.000 2.083 969 R HA -0.171 4.268 4.340 0.164 0.000 0.237 969 R C 2.297 178.554 176.300 -0.071 0.000 1.137 969 R CA 1.793 57.863 56.100 -0.050 0.000 0.951 969 R CB -0.572 29.697 30.300 -0.052 0.000 0.851 969 R HN 0.063 nan 8.270 nan 0.000 0.434 970 K N 0.947 121.281 120.400 -0.111 0.000 2.160 970 K HA -0.156 4.263 4.320 0.164 0.000 0.206 970 K C 1.944 178.472 176.600 -0.120 0.000 1.047 970 K CA 1.357 57.567 56.287 -0.128 0.000 0.930 970 K CB -0.233 32.159 32.500 -0.181 0.000 0.720 970 K HN 0.288 nan 8.250 nan 0.000 0.450 971 L N 0.135 121.284 121.223 -0.124 0.000 2.156 971 L HA -0.003 4.436 4.340 0.164 0.000 0.208 971 L C 1.883 178.743 176.870 -0.016 0.000 1.095 971 L CA 1.159 55.959 54.840 -0.068 0.000 0.770 971 L CB -0.398 41.656 42.059 -0.009 0.000 0.914 971 L HN 0.270 nan 8.230 nan 0.000 0.439 972 L N -0.671 120.541 121.223 -0.018 0.000 2.141 972 L HA -0.174 4.264 4.340 0.164 0.000 0.209 972 L C 2.471 179.327 176.870 -0.023 0.000 1.094 972 L CA 1.654 56.490 54.840 -0.007 0.000 0.763 972 L CB -0.624 41.429 42.059 -0.009 0.000 0.908 972 L HN 0.429 nan 8.230 nan 0.000 0.437 973 Q N -0.711 119.064 119.800 -0.041 0.000 2.084 973 Q HA -0.187 4.252 4.340 0.164 0.000 0.202 973 Q C 2.236 178.205 176.000 -0.051 0.000 0.978 973 Q CA 1.912 57.683 55.803 -0.054 0.000 0.844 973 Q CB -0.256 28.447 28.738 -0.060 0.000 0.898 973 Q HN 0.540 nan 8.270 nan 0.000 0.426 974 I N 0.843 121.393 120.570 -0.034 0.000 2.226 974 I HA -0.230 4.039 4.170 0.164 0.000 0.245 974 I C 2.339 178.470 176.117 0.025 0.000 1.100 974 I CA 0.898 62.191 61.300 -0.011 0.000 1.374 974 I CB -0.299 37.693 38.000 -0.013 0.000 1.057 974 I HN 0.135 nan 8.210 nan 0.000 0.413 975 E N 0.993 121.212 120.200 0.032 0.000 2.031 975 E HA -0.234 4.215 4.350 0.164 0.000 0.193 975 E C 2.232 178.857 176.600 0.041 0.000 0.994 975 E CA 1.389 57.832 56.400 0.072 0.000 0.800 975 E CB -0.356 29.382 29.700 0.063 0.000 0.752 975 E HN 0.595 nan 8.360 nan 0.000 0.447 976 Q N 0.291 120.077 119.800 -0.023 0.000 2.181 976 Q HA -0.105 4.333 4.340 0.164 0.000 0.205 976 Q C 2.048 177.943 176.000 -0.175 0.000 0.980 976 Q CA 1.464 57.218 55.803 -0.082 0.000 0.862 976 Q CB -0.207 28.477 28.738 -0.091 0.000 0.905 976 Q HN 0.212 nan 8.270 nan 0.000 0.429 977 A N 0.015 122.730 122.820 -0.175 0.000 2.015 977 A HA -0.178 4.240 4.320 0.164 0.000 0.219 977 A C 1.786 179.266 177.584 -0.173 0.000 1.163 977 A CA 1.097 52.942 52.037 -0.319 0.000 0.646 977 A CB -0.445 18.452 19.000 -0.171 0.000 0.806 977 A HN 0.523 nan 8.150 nan 0.000 0.448 978 Y N 0.568 120.805 120.300 -0.106 0.000 2.436 978 Y HA 0.123 4.772 4.550 0.164 0.000 0.288 978 Y C 1.695 177.596 175.900 0.001 0.000 1.112 978 Y CA 1.097 59.192 58.100 -0.009 0.000 1.220 978 Y CB 0.008 38.480 38.460 0.021 0.000 1.073 978 Y HN 0.393 nan 8.280 nan 0.000 0.552 979 E N -0.112 119.988 120.200 -0.166 0.000 2.516 979 E HA -0.085 4.364 4.350 0.164 0.000 0.199 979 E C 1.389 177.878 176.600 -0.184 0.000 1.069 979 E CA 0.490 56.754 56.400 -0.227 0.000 0.876 979 E CB 0.009 29.654 29.700 -0.091 0.000 0.843 979 E HN 0.570 nan 8.360 nan 0.000 0.530 980 M N -1.658 117.843 119.600 -0.165 0.000 2.653 980 M HA 0.152 4.730 4.480 0.164 0.000 0.259 980 M C 1.384 177.807 176.300 0.205 0.000 1.244 980 M CA 0.861 56.158 55.300 -0.004 0.000 1.163 980 M CB 1.123 33.569 32.600 -0.256 0.000 1.309 980 M HN 0.250 nan 8.290 nan 0.000 0.509 981 G N 0.030 108.934 108.800 0.174 0.000 2.175 981 G HA2 -0.202 3.856 3.960 0.164 0.000 0.182 981 G HA3 -0.202 3.856 3.960 0.164 0.000 0.182 981 G C 0.629 175.756 174.900 0.379 0.000 1.003 981 G CA -0.195 45.018 45.100 0.188 0.000 0.666 981 G HN 0.395 nan 8.290 nan 0.000 0.506 982 F N 0.908 120.886 119.950 0.046 0.000 2.084 982 F HA 0.222 4.848 4.527 0.164 0.000 0.296 982 F C 1.751 177.610 175.800 0.099 0.000 1.111 982 F CA 0.638 58.675 58.000 0.062 0.000 1.224 982 F CB -0.201 38.829 39.000 0.049 0.000 0.991 982 F HN 0.127 nan 8.300 nan 0.000 0.471 983 L N 0.024 121.468 121.223 0.368 0.000 2.326 983 L HA 0.410 4.848 4.340 0.164 0.000 0.278 983 L C 0.326 177.353 176.870 0.262 0.000 1.092 983 L CA -0.627 54.366 54.840 0.256 0.000 0.810 983 L CB 0.766 42.940 42.059 0.191 0.000 1.153 983 L HN -0.165 nan 8.230 nan 0.000 0.439 984 T N -0.524 114.121 114.554 0.150 0.000 2.802 984 T HA -0.056 4.392 4.350 0.164 0.000 0.305 984 T C 1.075 175.781 174.700 0.011 0.000 1.053 984 T CA -0.106 62.064 62.100 0.116 0.000 1.058 984 T CB 0.683 69.593 68.868 0.070 0.000 0.988 984 T HN 0.870 nan 8.240 nan 0.000 0.539 985 D N 0.848 121.237 120.400 -0.018 0.000 2.133 985 D HA -0.136 4.602 4.640 0.164 0.000 0.195 985 D C 2.118 178.344 176.300 -0.123 0.000 0.997 985 D CA 1.266 55.167 54.000 -0.165 0.000 0.840 985 D CB 0.096 40.856 40.800 -0.066 0.000 0.947 985 D HN 0.453 nan 8.370 nan 0.000 0.452 986 R N 1.061 121.534 120.500 -0.045 0.000 2.055 986 R HA -0.053 4.386 4.340 0.164 0.000 0.228 986 R C 2.203 178.534 176.300 0.052 0.000 1.143 986 R CA 1.732 57.828 56.100 -0.008 0.000 0.945 986 R CB -0.605 29.691 30.300 -0.006 0.000 0.841 986 R HN 0.088 nan 8.270 nan 0.000 0.429 987 E N 0.419 120.643 120.200 0.040 0.000 2.136 987 E HA -0.325 4.123 4.350 0.164 0.000 0.202 987 E C 1.979 178.607 176.600 0.047 0.000 1.019 987 E CA 1.692 58.124 56.400 0.053 0.000 0.819 987 E CB -0.286 29.448 29.700 0.057 0.000 0.739 987 E HN 0.207 nan 8.360 nan 0.000 0.458 988 R N 0.646 121.148 120.500 0.003 0.000 2.103 988 R HA -0.241 4.197 4.340 0.164 0.000 0.234 988 R C 2.184 178.509 176.300 0.041 0.000 1.132 988 R CA 2.073 58.158 56.100 -0.025 0.000 0.925 988 R CB -1.000 29.180 30.300 -0.201 0.000 0.842 988 R HN 0.324 nan 8.270 nan 0.000 0.430 989 Y N 2.011 122.272 120.300 -0.065 0.000 2.006 989 Y HA -0.299 4.350 4.550 0.164 0.000 0.266 989 Y C 1.995 177.902 175.900 0.012 0.000 1.133 989 Y CA 2.697 60.784 58.100 -0.021 0.000 1.098 989 Y CB -0.783 37.655 38.460 -0.037 0.000 0.969 989 Y HN 0.295 nan 8.280 nan 0.000 0.482 990 D N -0.247 120.252 120.400 0.166 0.000 2.191 990 D HA -0.259 4.480 4.640 0.164 0.000 0.195 990 D C 2.105 178.391 176.300 -0.023 0.000 1.003 990 D CA 1.823 55.855 54.000 0.054 0.000 0.867 990 D CB -0.293 40.576 40.800 0.116 0.000 0.926 990 D HN 0.491 nan 8.370 nan 0.000 0.450 991 Q N -0.296 119.501 119.800 -0.006 0.000 2.119 991 Q HA -0.075 4.363 4.340 0.164 0.000 0.201 991 Q C 2.399 178.371 176.000 -0.046 0.000 0.972 991 Q CA 0.735 56.526 55.803 -0.019 0.000 0.847 991 Q CB 0.004 28.740 28.738 -0.004 0.000 0.903 991 Q HN 0.453 nan 8.270 nan 0.000 0.433 992 I N 0.688 121.228 120.570 -0.050 0.000 2.252 992 I HA -0.303 3.966 4.170 0.164 0.000 0.245 992 I C 2.269 178.414 176.117 0.047 0.000 1.102 992 I CA 0.897 62.188 61.300 -0.015 0.000 1.385 992 I CB -0.452 37.572 38.000 0.041 0.000 1.064 992 I HN 0.153 nan 8.210 nan 0.000 0.414 993 L N 0.143 121.332 121.223 -0.057 0.000 2.012 993 L HA -0.269 4.170 4.340 0.164 0.000 0.210 993 L C 2.724 179.624 176.870 0.050 0.000 1.073 993 L CA 1.464 56.298 54.840 -0.009 0.000 0.748 993 L CB -0.872 41.089 42.059 -0.163 0.000 0.891 993 L HN 0.236 nan 8.230 nan 0.000 0.431 994 Q N 0.328 120.124 119.800 -0.008 0.000 2.112 994 Q HA -0.245 4.194 4.340 0.164 0.000 0.206 994 Q C 2.059 178.040 176.000 -0.033 0.000 0.987 994 Q CA 1.752 57.550 55.803 -0.009 0.000 0.858 994 Q CB -0.433 28.293 28.738 -0.021 0.000 0.905 994 Q HN 0.363 nan 8.270 nan 0.000 0.420 995 L N -0.872 120.292 121.223 -0.098 0.000 1.990 995 L HA -0.158 4.280 4.340 0.164 0.000 0.213 995 L C 1.661 178.368 176.870 -0.272 0.000 1.072 995 L CA 2.073 56.761 54.840 -0.255 0.000 0.755 995 L CB -0.885 40.907 42.059 -0.446 0.000 0.889 995 L HN 0.410 nan 8.230 nan 0.000 0.432 996 W N -0.531 120.754 121.300 -0.025 0.000 2.441 996 W HA -0.061 4.698 4.660 0.164 0.000 0.302 996 W C 2.502 179.013 176.519 -0.012 0.000 1.191 996 W CA 1.342 58.678 57.345 -0.014 0.000 1.327 996 W CB -1.137 28.311 29.460 -0.020 0.000 1.128 996 W HN 0.000 nan 8.180 nan 0.000 0.522 997 T N 0.155 114.829 114.554 0.201 0.000 2.751 997 T HA -0.340 4.108 4.350 0.164 0.000 0.268 997 T C 1.420 176.164 174.700 0.073 0.000 1.045 997 T CA 2.079 64.244 62.100 0.108 0.000 1.142 997 T CB -0.311 68.594 68.868 0.062 0.000 0.851 997 T HN 0.330 nan 8.240 nan 0.000 0.474 998 E N -0.383 119.848 120.200 0.053 0.000 2.127 998 E HA -0.046 4.402 4.350 0.164 0.000 0.191 998 E C 2.448 179.080 176.600 0.054 0.000 0.964 998 E CA 0.704 57.124 56.400 0.033 0.000 0.832 998 E CB -0.037 29.665 29.700 0.003 0.000 0.790 998 E HN 0.281 nan 8.360 nan 0.000 0.465 999 T N -0.460 114.127 114.554 0.056 0.000 2.720 999 T HA -0.189 4.260 4.350 0.164 0.000 0.268 999 T C 1.957 176.738 174.700 0.136 0.000 1.037 999 T CA 2.023 64.180 62.100 0.094 0.000 1.144 999 T CB -0.518 68.363 68.868 0.020 0.000 0.864 999 T HN 0.271 nan 8.240 nan 0.000 0.444 1000 T N 0.526 115.173 114.554 0.156 0.000 2.708 1000 T HA -0.102 4.347 4.350 0.164 0.000 0.266 1000 T C 1.909 176.627 174.700 0.031 0.000 1.037 1000 T CA 1.659 63.822 62.100 0.106 0.000 1.146 1000 T CB -0.423 68.509 68.868 0.106 0.000 0.865 1000 T HN 0.378 nan 8.240 nan 0.000 0.435 1001 E N 0.520 120.736 120.200 0.026 0.000 2.153 1001 E HA -0.136 4.313 4.350 0.164 0.000 0.194 1001 E C 2.257 178.840 176.600 -0.029 0.000 0.988 1001 E CA 1.021 57.415 56.400 -0.011 0.000 0.811 1001 E CB -0.091 29.609 29.700 -0.001 0.000 0.746 1001 E HN 0.543 nan 8.360 nan 0.000 0.466 1002 K N 0.080 120.482 120.400 0.003 0.000 2.002 1002 K HA -0.111 4.308 4.320 0.164 0.000 0.209 1002 K C 2.169 178.651 176.600 -0.197 0.000 1.048 1002 K CA 1.193 57.468 56.287 -0.020 0.000 0.930 1002 K CB -0.313 32.286 32.500 0.165 0.000 0.714 1002 K HN 0.006 nan 8.250 nan 0.000 0.438 1003 V N 1.504 121.305 119.914 -0.188 0.000 2.594 1003 V HA -0.254 3.965 4.120 0.164 0.000 0.253 1003 V C 1.700 177.701 176.094 -0.155 0.000 1.069 1003 V CA 2.068 64.227 62.300 -0.234 0.000 1.082 1003 V CB -0.401 31.356 31.823 -0.110 0.000 0.680 1003 V HN 0.471 nan 8.190 nan 0.000 0.469 1004 T N -0.412 114.074 114.554 -0.114 0.000 2.569 1004 T HA -0.318 4.130 4.350 0.164 0.000 0.263 1004 T C 1.766 176.389 174.700 -0.128 0.000 1.074 1004 T CA 2.167 64.195 62.100 -0.120 0.000 1.176 1004 T CB -0.368 68.413 68.868 -0.145 0.000 0.863 1004 T HN 0.596 nan 8.240 nan 0.000 0.410 1005 Q N 0.729 120.452 119.800 -0.128 0.000 2.234 1005 Q HA -0.080 4.359 4.340 0.164 0.000 0.206 1005 Q C 2.255 178.236 176.000 -0.032 0.000 0.980 1005 Q CA 1.338 57.098 55.803 -0.071 0.000 0.869 1005 Q CB -0.347 28.359 28.738 -0.053 0.000 0.912 1005 Q HN 0.554 nan 8.270 nan 0.000 0.436 1006 A N -0.357 122.392 122.820 -0.119 0.000 1.845 1006 A HA -0.155 4.263 4.320 0.164 0.000 0.215 1006 A C 2.190 179.698 177.584 -0.128 0.000 1.195 1006 A CA 1.622 53.559 52.037 -0.166 0.000 0.616 1006 A CB -0.964 17.837 19.000 -0.332 0.000 0.832 1006 A HN 0.285 nan 8.150 nan 0.000 0.443 1007 V N -1.011 118.839 119.914 -0.107 0.000 2.252 1007 V HA -0.317 3.901 4.120 0.164 0.000 0.249 1007 V C 2.360 178.358 176.094 -0.160 0.000 1.056 1007 V CA 2.341 64.536 62.300 -0.176 0.000 1.022 1007 V CB -1.114 30.698 31.823 -0.018 0.000 0.641 1007 V HN 0.585 nan 8.190 nan 0.000 0.445 1008 F N 0.298 120.156 119.950 -0.153 0.000 2.126 1008 F HA -0.235 4.390 4.527 0.164 0.000 0.299 1008 F C 2.586 178.301 175.800 -0.141 0.000 1.096 1008 F CA 2.086 60.039 58.000 -0.079 0.000 1.255 1008 F CB -0.213 38.801 39.000 0.023 0.000 0.997 1008 F HN 0.048 nan 8.300 nan 0.000 0.479 1009 K N 0.440 120.871 120.400 0.052 0.000 2.103 1009 K HA -0.244 4.175 4.320 0.164 0.000 0.207 1009 K C 2.026 178.564 176.600 -0.103 0.000 1.048 1009 K CA 1.503 57.781 56.287 -0.015 0.000 0.930 1009 K CB -0.243 32.245 32.500 -0.019 0.000 0.716 1009 K HN 0.113 nan 8.250 nan 0.000 0.444 1010 N N -0.074 118.512 118.700 -0.190 0.000 2.120 1010 N HA -0.131 4.707 4.740 0.164 0.000 0.188 1010 N C 1.608 176.983 175.510 -0.224 0.000 1.024 1010 N CA 1.200 54.108 53.050 -0.236 0.000 0.852 1010 N CB -0.119 38.186 38.487 -0.303 0.000 1.003 1010 N HN 0.110 nan 8.380 nan 0.000 0.424 1011 F N 1.822 121.629 119.950 -0.238 0.000 2.146 1011 F HA -0.013 4.613 4.527 0.164 0.000 0.298 1011 F C 2.595 178.182 175.800 -0.355 0.000 1.096 1011 F CA 0.697 58.456 58.000 -0.402 0.000 1.275 1011 F CB -0.928 37.395 39.000 -1.129 0.000 1.008 1011 F HN 0.163 nan 8.300 nan 0.000 0.480 1012 E N 0.306 120.411 120.200 -0.158 0.000 2.085 1012 E HA -0.225 4.223 4.350 0.164 0.000 0.194 1012 E C 1.985 178.590 176.600 0.008 0.000 0.994 1012 E CA 1.616 58.034 56.400 0.030 0.000 0.801 1012 E CB -0.071 29.669 29.700 0.066 0.000 0.743 1012 E HN 0.489 nan 8.360 nan 0.000 0.453 1013 E N -0.591 119.574 120.200 -0.059 0.000 2.102 1013 E HA -0.048 4.400 4.350 0.164 0.000 0.190 1013 E C 1.814 178.311 176.600 -0.172 0.000 0.971 1013 E CA 0.461 56.805 56.400 -0.093 0.000 0.821 1013 E CB 0.165 29.810 29.700 -0.092 0.000 0.777 1013 E HN 0.280 nan 8.360 nan 0.000 0.460 1014 N N -0.347 118.179 118.700 -0.290 0.000 2.436 1014 N HA -0.021 4.817 4.740 0.164 0.000 0.178 1014 N C -0.001 175.067 175.510 -0.737 0.000 1.026 1014 N CA 0.686 53.376 53.050 -0.600 0.000 0.880 1014 N CB 0.336 38.272 38.487 -0.918 0.000 1.061 1014 N HN 0.100 nan 8.380 nan 0.000 0.434 1015 Y N 0.201 120.567 120.300 0.109 0.000 2.638 1015 Y HA 0.414 5.063 4.550 0.164 0.000 0.367 1015 Y C -1.822 174.218 175.900 0.234 0.000 1.001 1015 Y CA -2.277 55.930 58.100 0.178 0.000 1.133 1015 Y CB 1.204 39.830 38.460 0.277 0.000 1.199 1015 Y HN -0.010 nan 8.280 nan 0.000 0.642 1016 P HA -0.178 nan 4.420 nan 0.000 0.217 1016 P C 0.266 177.805 177.300 0.397 0.000 1.148 1016 P CA 1.677 64.916 63.100 0.232 0.000 0.828 1016 P CB 0.125 31.763 31.700 -0.103 0.000 0.783 1017 F N -0.629 119.440 119.950 0.199 0.000 2.732 1017 F HA 0.170 4.796 4.527 0.164 0.000 0.312 1017 F C 0.867 176.780 175.800 0.187 0.000 1.240 1017 F CA -1.067 57.018 58.000 0.141 0.000 1.211 1017 F CB -0.117 38.907 39.000 0.041 0.000 1.331 1017 F HN -0.100 nan 8.300 nan 0.000 0.537 1018 N N 2.097 121.020 118.700 0.371 0.000 2.479 1018 N HA 0.152 4.990 4.740 0.164 0.000 0.285 1018 N C -2.072 173.453 175.510 0.024 0.000 1.075 1018 N CA -1.571 51.563 53.050 0.140 0.000 0.967 1018 N CB 2.009 40.434 38.487 -0.104 0.000 1.137 1018 N HN 0.009 nan 8.380 nan 0.000 0.472 1019 P HA -0.147 nan 4.420 nan 0.000 0.214 1019 P C 1.629 178.853 177.300 -0.128 0.000 1.163 1019 P CA 0.668 63.728 63.100 -0.067 0.000 0.883 1019 P CB 0.233 31.897 31.700 -0.060 0.000 0.788 1020 L N -1.742 119.391 121.223 -0.150 0.000 2.012 1020 L HA -0.196 4.243 4.340 0.164 0.000 0.210 1020 L C 2.476 179.224 176.870 -0.203 0.000 1.073 1020 L CA 1.770 56.518 54.840 -0.153 0.000 0.748 1020 L CB -1.527 40.452 42.059 -0.133 0.000 0.891 1020 L HN -0.029 nan 8.230 nan 0.000 0.431 1021 Y N -1.103 118.849 120.300 -0.580 0.000 2.070 1021 Y HA -0.280 4.369 4.550 0.164 0.000 0.279 1021 Y C 2.403 178.088 175.900 -0.359 0.000 1.134 1021 Y CA 2.115 59.829 58.100 -0.642 0.000 1.113 1021 Y CB -0.271 37.605 38.460 -0.973 0.000 0.981 1021 Y HN -0.040 nan 8.280 nan 0.000 0.487 1022 V N 1.306 120.972 119.914 -0.414 0.000 2.317 1022 V HA -0.449 3.769 4.120 0.164 0.000 0.251 1022 V C 2.438 178.239 176.094 -0.488 0.000 1.065 1022 V CA 2.388 64.382 62.300 -0.510 0.000 1.049 1022 V CB -0.760 30.969 31.823 -0.157 0.000 0.651 1022 V HN 0.586 nan 8.190 nan 0.000 0.450 1023 M N -0.695 118.721 119.600 -0.307 0.000 2.065 1023 M HA -0.223 4.355 4.480 0.164 0.000 0.259 1023 M C 2.338 178.511 176.300 -0.211 0.000 1.069 1023 M CA 2.387 57.546 55.300 -0.235 0.000 1.110 1023 M CB -0.491 32.020 32.600 -0.149 0.000 1.328 1023 M HN 0.438 nan 8.290 nan 0.000 0.405 1024 A N -0.262 122.458 122.820 -0.167 0.000 1.841 1024 A HA -0.223 4.196 4.320 0.164 0.000 0.216 1024 A C 1.996 179.515 177.584 -0.107 0.000 1.199 1024 A CA 1.491 53.487 52.037 -0.068 0.000 0.621 1024 A CB -0.889 18.142 19.000 0.051 0.000 0.835 1024 A HN 0.487 nan 8.150 nan 0.000 0.445 1025 Q N 0.804 120.455 119.800 -0.248 0.000 2.029 1025 Q HA -0.105 4.333 4.340 0.164 0.000 0.209 1025 Q C 1.132 177.014 176.000 -0.197 0.000 0.999 1025 Q CA 1.355 57.030 55.803 -0.214 0.000 0.857 1025 Q CB -1.045 27.440 28.738 -0.421 0.000 0.926 1025 Q HN 0.608 nan 8.270 nan 0.000 0.415 1026 S N 0.121 115.540 115.700 -0.468 0.000 2.560 1026 S HA 0.163 4.732 4.470 0.164 0.000 0.284 1026 S C 1.273 175.783 174.600 -0.149 0.000 1.327 1026 S CA 0.121 58.094 58.200 -0.377 0.000 1.055 1026 S CB 0.949 63.720 63.200 -0.714 0.000 0.868 1026 S HN 0.529 nan 8.310 nan 0.000 0.506 1027 G N 1.373 110.152 108.800 -0.035 0.000 2.601 1027 G HA2 0.012 4.071 3.960 0.164 0.000 0.214 1027 G HA3 0.012 4.071 3.960 0.164 0.000 0.214 1027 G C 1.116 176.007 174.900 -0.015 0.000 1.132 1027 G CA 0.588 45.686 45.100 -0.004 0.000 0.761 1027 G HN 0.846 nan 8.290 nan 0.000 0.550 1028 A N 0.058 122.845 122.820 -0.055 0.000 2.546 1028 A HA 0.129 4.547 4.320 0.164 0.000 0.190 1028 A C 1.585 179.155 177.584 -0.023 0.000 1.102 1028 A CA 1.141 53.151 52.037 -0.044 0.000 0.909 1028 A CB -0.134 18.805 19.000 -0.102 0.000 0.818 1028 A HN 0.340 nan 8.150 nan 0.000 0.557 1029 R N -2.632 117.843 120.500 -0.040 0.000 2.869 1029 R HA 0.513 4.951 4.340 0.164 0.000 0.263 1029 R C -0.392 175.901 176.300 -0.011 0.000 1.066 1029 R CA 0.169 56.261 56.100 -0.014 0.000 0.960 1029 R CB 1.697 31.992 30.300 -0.009 0.000 1.221 1029 R HN 1.795 nan 8.270 nan 0.000 0.474 1030 G N 1.634 110.443 108.800 0.015 0.000 2.705 1030 G HA2 -0.215 3.844 3.960 0.164 0.000 0.686 1030 G HA3 -0.215 3.844 3.960 0.164 0.000 0.686 1030 G C -1.178 173.759 174.900 0.062 0.000 1.285 1030 G CA -0.335 44.788 45.100 0.038 0.000 0.800 1030 G HN 0.701 nan 8.290 nan 0.000 0.611 1031 N N 2.417 121.168 118.700 0.086 0.000 2.249 1031 N HA 0.571 5.409 4.740 0.164 0.000 0.296 1031 N C -1.599 173.995 175.510 0.139 0.000 1.051 1031 N CA -1.719 51.389 53.050 0.096 0.000 0.815 1031 N CB 2.637 41.159 38.487 0.059 0.000 1.487 1031 N HN 0.095 nan 8.380 nan 0.000 0.475 1032 P HA -0.257 nan 4.420 nan 0.000 0.219 1032 P C 1.287 178.610 177.300 0.038 0.000 1.161 1032 P CA 2.142 65.317 63.100 0.125 0.000 0.909 1032 P CB 0.261 31.919 31.700 -0.070 0.000 0.793 1033 Q N -0.517 119.285 119.800 0.003 0.000 2.152 1033 Q HA -0.256 4.182 4.340 0.164 0.000 0.206 1033 Q C 2.173 178.175 176.000 0.004 0.000 0.985 1033 Q CA 1.893 57.688 55.803 -0.013 0.000 0.863 1033 Q CB -0.522 28.208 28.738 -0.013 0.000 0.904 1033 Q HN 0.345 nan 8.270 nan 0.000 0.422 1034 Q N -0.615 119.206 119.800 0.036 0.000 2.049 1034 Q HA -0.083 4.356 4.340 0.164 0.000 0.198 1034 Q C 1.987 178.024 176.000 0.062 0.000 0.971 1034 Q CA 1.086 56.909 55.803 0.033 0.000 0.833 1034 Q CB -0.040 28.731 28.738 0.054 0.000 0.896 1034 Q HN 0.389 nan 8.270 nan 0.000 0.434 1035 I N 1.213 121.868 120.570 0.142 0.000 2.236 1035 I HA -0.334 3.934 4.170 0.164 0.000 0.249 1035 I C 2.341 178.574 176.117 0.193 0.000 1.102 1035 I CA 1.633 63.068 61.300 0.225 0.000 1.365 1035 I CB -0.981 37.280 38.000 0.435 0.000 1.051 1035 I HN 0.295 nan 8.210 nan 0.000 0.420 1036 R N 0.848 121.423 120.500 0.125 0.000 2.115 1036 R HA -0.133 4.305 4.340 0.164 0.000 0.226 1036 R C 1.951 178.238 176.300 -0.022 0.000 1.100 1036 R CA 0.948 57.080 56.100 0.054 0.000 0.980 1036 R CB 0.022 30.318 30.300 -0.006 0.000 0.875 1036 R HN 0.486 nan 8.270 nan 0.000 0.445 1037 Q N -0.054 119.697 119.800 -0.082 0.000 2.435 1037 Q HA -0.026 4.413 4.340 0.164 0.000 0.207 1037 Q C 1.636 177.493 176.000 -0.239 0.000 0.956 1037 Q CA 0.622 56.271 55.803 -0.256 0.000 0.917 1037 Q CB 0.334 28.840 28.738 -0.387 0.000 0.997 1037 Q HN 0.352 nan 8.270 nan 0.000 0.497 1038 L N -1.705 119.502 121.223 -0.027 0.000 2.356 1038 L HA -0.012 4.427 4.340 0.164 0.000 0.193 1038 L C 2.143 179.073 176.870 0.100 0.000 1.087 1038 L CA 0.497 55.389 54.840 0.088 0.000 0.817 1038 L CB -0.208 41.932 42.059 0.136 0.000 1.035 1038 L HN 0.188 nan 8.230 nan 0.000 0.482 1039 C N -0.292 119.076 119.300 0.114 0.000 2.564 1039 C HA 0.246 4.805 4.460 0.164 0.000 0.281 1039 C C 2.415 177.426 174.990 0.036 0.000 1.314 1039 C CA 0.078 59.154 59.018 0.097 0.000 1.706 1039 C CB -1.350 26.485 27.740 0.159 0.000 2.109 1039 C HN 0.587 nan 8.230 nan 0.000 0.502 1040 G N 0.548 109.366 108.800 0.030 0.000 2.751 1040 G HA2 0.417 4.475 3.960 0.164 0.000 0.187 1040 G HA3 0.417 4.475 3.960 0.164 0.000 0.187 1040 G C -0.070 174.824 174.900 -0.010 0.000 1.733 1040 G CA 0.945 46.042 45.100 -0.005 0.000 0.898 1040 G HN 0.755 nan 8.290 nan 0.000 0.408 1041 L N -1.746 119.460 121.223 -0.029 0.000 2.703 1041 L HA 0.526 4.964 4.340 0.164 0.000 0.257 1041 L C -1.065 175.757 176.870 -0.080 0.000 0.923 1041 L CA -1.209 53.601 54.840 -0.050 0.000 0.936 1041 L CB 1.866 43.914 42.059 -0.017 0.000 1.482 1041 L HN 0.582 nan 8.230 nan 0.000 0.432 1042 R N 1.956 122.374 120.500 -0.137 0.000 2.216 1042 R HA 0.548 4.987 4.340 0.164 0.000 0.332 1042 R C 0.185 176.424 176.300 -0.100 0.000 1.056 1042 R CA -0.010 56.008 56.100 -0.138 0.000 0.901 1042 R CB 1.513 31.679 30.300 -0.223 0.000 1.039 1042 R HN 0.894 nan 8.270 nan 0.000 0.456 1043 G N 3.987 112.742 108.800 -0.076 0.000 2.645 1043 G HA2 0.107 4.165 3.960 0.164 0.000 0.207 1043 G HA3 0.107 4.165 3.960 0.164 0.000 0.207 1043 G C 0.345 175.175 174.900 -0.116 0.000 1.145 1043 G CA -0.353 44.686 45.100 -0.102 0.000 0.831 1043 G HN 0.405 nan 8.290 nan 0.000 0.563 1044 L N 2.456 123.644 121.223 -0.059 0.000 2.276 1044 L HA 0.522 4.961 4.340 0.164 0.000 0.286 1044 L C -0.738 176.138 176.870 0.010 0.000 1.024 1044 L CA -0.478 54.343 54.840 -0.032 0.000 0.826 1044 L CB 1.691 43.751 42.059 0.001 0.000 1.211 1044 L HN 0.086 nan 8.230 nan 0.000 0.422 1045 M N 3.985 123.607 119.600 0.037 0.000 2.311 1045 M HA 0.321 4.900 4.480 0.164 0.000 0.325 1045 M C -0.195 176.239 176.300 0.223 0.000 1.061 1045 M CA -0.588 54.766 55.300 0.088 0.000 0.957 1045 M CB 1.950 34.580 32.600 0.051 0.000 1.646 1045 M HN 0.547 nan 8.290 nan 0.000 0.434 1046 Q N 2.114 122.026 119.800 0.186 0.000 2.368 1046 Q HA 0.447 4.885 4.340 0.164 0.000 0.237 1046 Q C -0.658 175.472 176.000 0.217 0.000 0.987 1046 Q CA -0.389 55.523 55.803 0.183 0.000 0.896 1046 Q CB 1.379 30.166 28.738 0.083 0.000 1.241 1046 Q HN 0.505 nan 8.270 nan 0.000 0.485 1047 K N 0.906 121.311 120.400 0.009 0.000 2.273 1047 K HA 0.110 4.528 4.320 0.164 0.000 0.240 1047 K C -1.683 174.806 176.600 -0.185 0.000 1.056 1047 K CA -1.428 54.737 56.287 -0.203 0.000 0.910 1047 K CB -0.137 32.075 32.500 -0.479 0.000 1.196 1047 K HN 0.402 nan 8.250 nan 0.000 0.509 1048 P HA -0.264 nan 4.420 nan 0.000 0.213 1048 P C 1.206 178.452 177.300 -0.090 0.000 1.170 1048 P CA 1.782 64.776 63.100 -0.176 0.000 0.902 1048 P CB 0.029 31.623 31.700 -0.176 0.000 0.789 1049 S N -1.769 113.869 115.700 -0.103 0.000 2.363 1049 S HA -0.031 4.537 4.470 0.164 0.000 0.218 1049 S C 1.961 176.531 174.600 -0.051 0.000 1.035 1049 S CA 1.654 59.811 58.200 -0.071 0.000 1.043 1049 S CB -1.414 61.737 63.200 -0.081 0.000 0.986 1049 S HN 0.346 nan 8.310 nan 0.000 0.423 1050 G N 1.185 109.951 108.800 -0.056 0.000 4.103 1050 G HA2 0.050 4.109 3.960 0.164 0.000 0.163 1050 G HA3 0.050 4.109 3.960 0.164 0.000 0.163 1050 G C -0.348 174.541 174.900 -0.019 0.000 0.840 1050 G CA -0.097 44.987 45.100 -0.026 0.000 0.905 1050 G HN 0.655 nan 8.290 nan 0.000 0.377 1051 E N 2.916 123.090 120.200 -0.043 0.000 2.606 1051 E HA 0.305 4.753 4.350 0.164 0.000 0.248 1051 E C 0.604 177.204 176.600 0.001 0.000 1.005 1051 E CA 0.431 56.819 56.400 -0.020 0.000 0.946 1051 E CB -0.048 29.596 29.700 -0.093 0.000 0.928 1051 E HN 0.318 nan 8.360 nan 0.000 0.494 1052 T N 1.716 116.320 114.554 0.083 0.000 2.903 1052 T HA 0.052 4.500 4.350 0.164 0.000 0.314 1052 T C 0.037 174.806 174.700 0.116 0.000 1.078 1052 T CA -0.612 61.548 62.100 0.099 0.000 1.114 1052 T CB 0.284 69.211 68.868 0.100 0.000 0.987 1052 T HN 0.385 nan 8.240 nan 0.000 0.548 1053 F N 1.113 121.094 119.950 0.051 0.000 2.496 1053 F HA 0.199 4.825 4.527 0.164 0.000 0.344 1053 F C 1.879 177.687 175.800 0.013 0.000 1.155 1053 F CA 0.096 58.123 58.000 0.046 0.000 1.302 1053 F CB 0.695 39.702 39.000 0.012 0.000 1.159 1053 F HN 0.937 nan 8.300 nan 0.000 0.595 1054 E N 0.966 121.344 120.200 0.297 0.000 2.076 1054 E HA -0.019 4.430 4.350 0.164 0.000 0.190 1054 E C -0.123 176.508 176.600 0.052 0.000 0.979 1054 E CA 0.465 56.950 56.400 0.140 0.000 0.807 1054 E CB 0.309 30.126 29.700 0.195 0.000 0.761 1054 E HN 0.300 nan 8.360 nan 0.000 0.454 1055 V N 2.717 122.683 119.914 0.086 0.000 2.607 1055 V HA 0.251 4.469 4.120 0.164 0.000 0.289 1055 V C -2.173 173.727 176.094 -0.323 0.000 1.053 1055 V CA -1.447 60.764 62.300 -0.150 0.000 0.996 1055 V CB 1.271 33.044 31.823 -0.083 0.000 0.995 1055 V HN 0.210 nan 8.190 nan 0.000 0.476 1056 P HA 0.362 nan 4.420 nan 0.000 0.283 1056 P C -0.989 176.061 177.300 -0.417 0.000 1.278 1056 P CA -0.553 62.181 63.100 -0.610 0.000 0.834 1056 P CB 0.902 31.960 31.700 -1.071 0.000 1.150 1057 V N 2.730 122.480 119.914 -0.273 0.000 2.222 1057 V HA 0.144 4.362 4.120 0.164 0.000 0.253 1057 V C 1.573 177.583 176.094 -0.140 0.000 1.210 1057 V CA 0.025 62.223 62.300 -0.169 0.000 1.079 1057 V CB -0.709 31.053 31.823 -0.101 0.000 1.265 1057 V HN 0.500 nan 8.190 nan 0.000 0.494 1058 R N 1.020 121.428 120.500 -0.152 0.000 2.226 1058 R HA -0.099 4.339 4.340 0.164 0.000 0.246 1058 R C 1.092 177.382 176.300 -0.016 0.000 1.161 1058 R CA 0.815 56.870 56.100 -0.075 0.000 0.997 1058 R CB -0.110 30.163 30.300 -0.045 0.000 0.870 1058 R HN 0.558 nan 8.270 nan 0.000 0.465 1059 S N -0.015 115.679 115.700 -0.010 0.000 2.652 1059 S HA 0.259 4.828 4.470 0.164 0.000 0.270 1059 S C 0.208 174.822 174.600 0.023 0.000 1.243 1059 S CA -0.825 57.389 58.200 0.024 0.000 0.999 1059 S CB 1.600 64.831 63.200 0.051 0.000 0.973 1059 S HN 0.268 nan 8.310 nan 0.000 0.544 1060 S N 0.528 116.261 115.700 0.055 0.000 2.747 1060 S HA 0.570 5.139 4.470 0.164 0.000 0.300 1060 S C 0.150 174.879 174.600 0.214 0.000 1.121 1060 S CA -0.657 57.577 58.200 0.057 0.000 0.995 1060 S CB 0.263 63.497 63.200 0.055 0.000 1.113 1060 S HN 0.479 nan 8.310 nan 0.000 0.547 1061 F N 0.797 120.752 119.950 0.009 0.000 2.416 1061 F HA 0.238 4.863 4.527 0.164 0.000 0.296 1061 F C 2.532 178.326 175.800 -0.010 0.000 1.099 1061 F CA -0.070 57.926 58.000 -0.005 0.000 1.427 1061 F CB -0.736 38.267 39.000 0.005 0.000 1.079 1061 F HN 0.558 nan 8.300 nan 0.000 0.536 1062 R N 1.222 121.843 120.500 0.202 0.000 2.097 1062 R HA -0.172 4.266 4.340 0.164 0.000 0.236 1062 R C 0.708 177.048 176.300 0.066 0.000 1.135 1062 R CA 1.221 57.384 56.100 0.105 0.000 0.934 1062 R CB -0.657 29.694 30.300 0.085 0.000 0.846 1062 R HN 0.159 nan 8.270 nan 0.000 0.431 1063 E N -0.604 119.638 120.200 0.070 0.000 2.318 1063 E HA 0.273 4.722 4.350 0.164 0.000 0.265 1063 E C -0.766 175.856 176.600 0.036 0.000 1.069 1063 E CA -0.235 56.189 56.400 0.041 0.000 0.893 1063 E CB 0.956 30.678 29.700 0.038 0.000 1.076 1063 E HN 0.303 nan 8.360 nan 0.000 0.414 1064 G N 3.107 111.908 108.800 0.001 0.000 2.255 1064 G HA2 0.151 4.209 3.960 0.164 0.000 0.267 1064 G HA3 0.151 4.209 3.960 0.164 0.000 0.267 1064 G C -0.331 174.565 174.900 -0.007 0.000 1.177 1064 G CA -0.257 44.825 45.100 -0.029 0.000 1.027 1064 G HN 0.473 nan 8.290 nan 0.000 0.437 1065 L N 3.701 124.920 121.223 -0.007 0.000 2.534 1065 L HA 0.244 4.683 4.340 0.164 0.000 0.271 1065 L C 1.134 178.000 176.870 -0.007 0.000 1.178 1065 L CA 0.211 55.082 54.840 0.051 0.000 0.907 1065 L CB 0.392 42.521 42.059 0.117 0.000 1.164 1065 L HN 0.436 nan 8.230 nan 0.000 0.482 1066 T N 3.212 117.781 114.554 0.026 0.000 2.795 1066 T HA 0.148 4.596 4.350 0.164 0.000 0.314 1066 T C 1.577 176.310 174.700 0.055 0.000 1.069 1066 T CA -0.042 62.069 62.100 0.018 0.000 1.071 1066 T CB 0.676 69.552 68.868 0.013 0.000 0.988 1066 T HN 0.496 nan 8.240 nan 0.000 0.543 1067 V N 3.691 123.631 119.914 0.044 0.000 2.215 1067 V HA -0.188 4.031 4.120 0.164 0.000 0.249 1067 V C 2.541 178.713 176.094 0.131 0.000 1.054 1067 V CA 2.130 64.479 62.300 0.082 0.000 1.012 1067 V CB -1.106 30.736 31.823 0.033 0.000 0.639 1067 V HN 0.765 nan 8.190 nan 0.000 0.448 1068 L N -0.471 120.785 121.223 0.056 0.000 2.005 1068 L HA -0.162 4.277 4.340 0.164 0.000 0.207 1068 L C 2.646 179.563 176.870 0.077 0.000 1.072 1068 L CA 1.910 56.775 54.840 0.042 0.000 0.744 1068 L CB -0.534 41.502 42.059 -0.040 0.000 0.895 1068 L HN 0.336 nan 8.230 nan 0.000 0.433 1069 E N -1.424 118.799 120.200 0.039 0.000 2.136 1069 E HA -0.345 4.103 4.350 0.164 0.000 0.202 1069 E C 1.967 178.637 176.600 0.117 0.000 1.019 1069 E CA 2.098 58.511 56.400 0.022 0.000 0.819 1069 E CB -0.312 29.403 29.700 0.025 0.000 0.739 1069 E HN 0.582 nan 8.360 nan 0.000 0.458 1070 Y N -0.285 120.033 120.300 0.030 0.000 2.070 1070 Y HA -0.323 4.325 4.550 0.164 0.000 0.279 1070 Y C 2.219 178.133 175.900 0.023 0.000 1.134 1070 Y CA 1.450 59.575 58.100 0.040 0.000 1.113 1070 Y CB -0.302 38.182 38.460 0.041 0.000 0.981 1070 Y HN 0.053 nan 8.280 nan 0.000 0.487 1071 F N 0.814 120.700 119.950 -0.107 0.000 2.063 1071 F HA -0.396 4.230 4.527 0.164 0.000 0.298 1071 F C 2.089 177.698 175.800 -0.318 0.000 1.105 1071 F CA 1.842 59.700 58.000 -0.236 0.000 1.215 1071 F CB -0.592 38.337 39.000 -0.119 0.000 0.972 1071 F HN 0.069 nan 8.300 nan 0.000 0.483 1072 I N -0.333 120.279 120.570 0.069 0.000 2.163 1072 I HA -0.317 3.951 4.170 0.164 0.000 0.243 1072 I C 2.507 178.587 176.117 -0.062 0.000 1.085 1072 I CA 1.759 63.048 61.300 -0.018 0.000 1.347 1072 I CB -1.773 36.035 38.000 -0.319 0.000 1.044 1072 I HN 0.133 nan 8.210 nan 0.000 0.408 1073 S N 0.425 116.066 115.700 -0.098 0.000 2.399 1073 S HA -0.181 4.388 4.470 0.164 0.000 0.231 1073 S C 2.207 176.712 174.600 -0.158 0.000 1.022 1073 S CA 1.502 59.661 58.200 -0.068 0.000 0.983 1073 S CB -0.313 62.887 63.200 -0.000 0.000 0.803 1073 S HN 0.488 nan 8.310 nan 0.000 0.480 1074 S N 1.373 116.849 115.700 -0.373 0.000 2.368 1074 S HA -0.268 4.301 4.470 0.164 0.000 0.226 1074 S C 1.789 176.192 174.600 -0.327 0.000 1.044 1074 S CA 1.545 59.459 58.200 -0.477 0.000 1.062 1074 S CB -0.594 62.144 63.200 -0.770 0.000 0.931 1074 S HN 0.629 nan 8.310 nan 0.000 0.440 1075 H N 0.336 119.296 119.070 -0.183 0.000 2.292 1075 H HA -0.133 4.521 4.556 0.164 0.000 0.292 1075 H C 2.442 177.736 175.328 -0.057 0.000 1.100 1075 H CA 1.636 57.627 56.048 -0.095 0.000 1.238 1075 H CB -1.301 28.463 29.762 0.003 0.000 1.355 1075 H HN 0.576 nan 8.280 nan 0.000 0.484 1076 G N 0.435 109.289 108.800 0.090 0.000 2.421 1076 G HA2 -0.178 3.881 3.960 0.164 0.000 0.216 1076 G HA3 -0.178 3.881 3.960 0.164 0.000 0.216 1076 G C 2.049 176.952 174.900 0.005 0.000 1.171 1076 G CA 1.537 46.665 45.100 0.047 0.000 0.775 1076 G HN 0.557 nan 8.290 nan 0.000 0.543 1077 A N 0.483 123.288 122.820 -0.026 0.000 1.978 1077 A HA -0.078 4.341 4.320 0.164 0.000 0.220 1077 A C 2.369 179.931 177.584 -0.037 0.000 1.170 1077 A CA 2.209 54.226 52.037 -0.033 0.000 0.636 1077 A CB -0.370 18.596 19.000 -0.056 0.000 0.810 1077 A HN 0.317 nan 8.150 nan 0.000 0.448 1078 R N -0.102 120.368 120.500 -0.051 0.000 2.073 1078 R HA 0.017 4.456 4.340 0.164 0.000 0.229 1078 R C 2.101 178.390 176.300 -0.017 0.000 1.120 1078 R CA 1.539 57.613 56.100 -0.043 0.000 0.967 1078 R CB -0.260 30.006 30.300 -0.058 0.000 0.862 1078 R HN 0.419 nan 8.270 nan 0.000 0.436 1079 K N -0.820 119.578 120.400 -0.002 0.000 2.147 1079 K HA -0.044 4.375 4.320 0.164 0.000 0.205 1079 K C 1.860 178.459 176.600 -0.002 0.000 1.049 1079 K CA 1.419 57.708 56.287 0.003 0.000 0.936 1079 K CB -0.281 32.226 32.500 0.013 0.000 0.722 1079 K HN 0.397 nan 8.250 nan 0.000 0.446 1080 G N 0.520 109.319 108.800 -0.002 0.000 2.408 1080 G HA2 -0.189 3.870 3.960 0.164 0.000 0.217 1080 G HA3 -0.189 3.870 3.960 0.164 0.000 0.217 1080 G C 1.589 176.484 174.900 -0.007 0.000 1.150 1080 G CA 0.949 46.047 45.100 -0.003 0.000 0.776 1080 G HN 0.411 nan 8.290 nan 0.000 0.542 1081 G N 1.157 109.950 108.800 -0.011 0.000 2.418 1081 G HA2 0.038 4.096 3.960 0.164 0.000 0.217 1081 G HA3 0.038 4.096 3.960 0.164 0.000 0.217 1081 G C 2.053 176.946 174.900 -0.012 0.000 1.158 1081 G CA 1.526 46.618 45.100 -0.013 0.000 0.771 1081 G HN 0.617 nan 8.290 nan 0.000 0.545 1082 A N 0.890 123.703 122.820 -0.011 0.000 1.902 1082 A HA -0.064 4.355 4.320 0.164 0.000 0.217 1082 A C 2.066 179.645 177.584 -0.008 0.000 1.181 1082 A CA 2.214 54.245 52.037 -0.010 0.000 0.623 1082 A CB -0.524 18.471 19.000 -0.008 0.000 0.818 1082 A HN 0.335 nan 8.150 nan 0.000 0.443 1083 D N -0.680 119.716 120.400 -0.008 0.000 2.097 1083 D HA -0.122 4.616 4.640 0.164 0.000 0.195 1083 D C 2.371 178.665 176.300 -0.010 0.000 0.989 1083 D CA 2.250 56.245 54.000 -0.008 0.000 0.827 1083 D CB -0.169 40.626 40.800 -0.008 0.000 0.966 1083 D HN 0.587 nan 8.370 nan 0.000 0.456 1084 T N -1.674 112.873 114.554 -0.011 0.000 2.881 1084 T HA -0.018 4.431 4.350 0.164 0.000 0.270 1084 T C 1.813 176.505 174.700 -0.013 0.000 1.068 1084 T CA 1.027 63.120 62.100 -0.012 0.000 1.131 1084 T CB -0.310 68.552 68.868 -0.011 0.000 0.871 1084 T HN 0.095 nan 8.240 nan 0.000 0.479 1085 A N 2.467 125.279 122.820 -0.012 0.000 1.822 1085 A HA 0.201 4.619 4.320 0.164 0.000 0.214 1085 A C 2.137 179.714 177.584 -0.013 0.000 1.245 1085 A CA 1.237 53.266 52.037 -0.013 0.000 0.608 1085 A CB -1.172 17.820 19.000 -0.012 0.000 0.896 1085 A HN 0.389 nan 8.150 nan 0.000 0.457 1086 L N 0.538 121.755 121.223 -0.010 0.000 2.357 1086 L HA -0.172 4.266 4.340 0.164 0.000 0.220 1086 L C 2.585 179.453 176.870 -0.004 0.000 1.123 1086 L CA 1.987 56.823 54.840 -0.007 0.000 0.782 1086 L CB -0.817 41.241 42.059 -0.002 0.000 0.910 1086 L HN 0.618 nan 8.230 nan 0.000 0.442 1087 R N -1.395 119.101 120.500 -0.007 0.000 2.189 1087 R HA 0.009 4.447 4.340 0.164 0.000 0.203 1087 R C 1.700 177.995 176.300 -0.010 0.000 1.012 1087 R CA 1.276 57.372 56.100 -0.007 0.000 1.015 1087 R CB -0.323 29.969 30.300 -0.014 0.000 0.938 1087 R HN 0.240 nan 8.270 nan 0.000 0.472 1088 T N 1.227 115.773 114.554 -0.014 0.000 2.770 1088 T HA 0.109 4.557 4.350 0.164 0.000 0.258 1088 T C 1.744 176.431 174.700 -0.021 0.000 1.039 1088 T CA 1.417 63.506 62.100 -0.018 0.000 1.143 1088 T CB -0.266 68.590 68.868 -0.019 0.000 0.866 1088 T HN 0.398 nan 8.240 nan 0.000 0.428 1089 A N 1.177 123.982 122.820 -0.024 0.000 2.259 1089 A HA -0.058 4.360 4.320 0.164 0.000 0.212 1089 A C 1.691 179.245 177.584 -0.049 0.000 1.178 1089 A CA 1.168 53.183 52.037 -0.036 0.000 0.734 1089 A CB -0.740 18.238 19.000 -0.035 0.000 0.774 1089 A HN 0.432 nan 8.150 nan 0.000 0.481 1090 D N -0.215 120.168 120.400 -0.027 0.000 2.351 1090 D HA -0.027 4.712 4.640 0.164 0.000 0.216 1090 D C 0.548 176.821 176.300 -0.045 0.000 0.968 1090 D CA 1.224 55.214 54.000 -0.016 0.000 0.899 1090 D CB -0.148 40.686 40.800 0.057 0.000 0.907 1090 D HN 0.286 nan 8.370 nan 0.000 0.514 1091 S N -1.242 114.433 115.700 -0.042 0.000 3.614 1091 S HA -0.175 4.394 4.470 0.164 0.000 0.360 1091 S C 1.100 175.699 174.600 -0.001 0.000 1.023 1091 S CA 0.393 58.569 58.200 -0.041 0.000 1.114 1091 S CB -1.946 61.203 63.200 -0.085 0.000 0.907 1091 S HN 0.688 nan 8.310 nan 0.000 0.470 1092 G N -0.206 108.608 108.800 0.023 0.000 2.341 1092 G HA2 -0.417 3.641 3.960 0.164 0.000 0.292 1092 G HA3 -0.417 3.641 3.960 0.164 0.000 0.292 1092 G C 0.433 175.393 174.900 0.099 0.000 1.021 1092 G CA 0.812 45.935 45.100 0.038 0.000 0.905 1092 G HN 0.816 nan 8.290 nan 0.000 0.508 1093 Y N -1.040 119.236 120.300 -0.039 0.000 2.139 1093 Y HA -0.296 4.352 4.550 0.164 0.000 0.282 1093 Y C 2.707 178.571 175.900 -0.059 0.000 1.179 1093 Y CA 1.647 59.724 58.100 -0.039 0.000 1.161 1093 Y CB -0.003 38.440 38.460 -0.028 0.000 0.970 1093 Y HN 0.437 nan 8.280 nan 0.000 0.511 1094 L N 0.135 121.383 121.223 0.042 0.000 2.093 1094 L HA -0.187 4.252 4.340 0.164 0.000 0.208 1094 L C 2.315 179.130 176.870 -0.093 0.000 1.085 1094 L CA 2.297 57.064 54.840 -0.122 0.000 0.755 1094 L CB -0.821 41.148 42.059 -0.150 0.000 0.904 1094 L HN 0.166 nan 8.230 nan 0.000 0.435 1095 T N -1.152 113.387 114.554 -0.026 0.000 2.881 1095 T HA -0.168 4.280 4.350 0.164 0.000 0.270 1095 T C 2.040 176.727 174.700 -0.022 0.000 1.068 1095 T CA 0.902 62.988 62.100 -0.023 0.000 1.131 1095 T CB -0.256 68.609 68.868 -0.005 0.000 0.871 1095 T HN 0.216 nan 8.240 nan 0.000 0.479 1096 R N 1.675 122.178 120.500 0.005 0.000 2.056 1096 R HA 0.066 4.505 4.340 0.164 0.000 0.227 1096 R C 2.292 178.556 176.300 -0.059 0.000 1.149 1096 R CA 1.444 57.543 56.100 -0.001 0.000 0.937 1096 R CB -0.368 29.992 30.300 0.100 0.000 0.835 1096 R HN 0.326 nan 8.270 nan 0.000 0.430 1097 K N 0.487 120.845 120.400 -0.070 0.000 2.063 1097 K HA -0.146 4.273 4.320 0.164 0.000 0.208 1097 K C 2.127 178.671 176.600 -0.093 0.000 1.048 1097 K CA 1.334 57.557 56.287 -0.106 0.000 0.928 1097 K CB -0.244 32.164 32.500 -0.154 0.000 0.713 1097 K HN -0.006 nan 8.250 nan 0.000 0.442 1098 L N 0.612 121.770 121.223 -0.108 0.000 1.990 1098 L HA -0.217 4.221 4.340 0.164 0.000 0.213 1098 L C 2.283 179.141 176.870 -0.019 0.000 1.072 1098 L CA 1.526 56.333 54.840 -0.055 0.000 0.755 1098 L CB -0.977 41.029 42.059 -0.088 0.000 0.889 1098 L HN -0.016 nan 8.230 nan 0.000 0.432 1099 V N -0.389 119.498 119.914 -0.046 0.000 2.392 1099 V HA -0.304 3.915 4.120 0.164 0.000 0.249 1099 V C 2.250 178.261 176.094 -0.139 0.000 1.059 1099 V CA 1.719 63.995 62.300 -0.039 0.000 1.051 1099 V CB -0.596 31.203 31.823 -0.040 0.000 0.658 1099 V HN 0.482 nan 8.190 nan 0.000 0.455 1100 D N 0.349 120.611 120.400 -0.230 0.000 2.117 1100 D HA -0.131 4.608 4.640 0.164 0.000 0.197 1100 D C 2.027 178.093 176.300 -0.390 0.000 0.987 1100 D CA 2.052 55.790 54.000 -0.437 0.000 0.829 1100 D CB 0.047 40.669 40.800 -0.297 0.000 0.961 1100 D HN 0.560 nan 8.370 nan 0.000 0.460 1101 V N -1.255 118.598 119.914 -0.101 0.000 3.506 1101 V HA 0.078 4.297 4.120 0.164 0.000 0.263 1101 V C 1.836 178.005 176.094 0.125 0.000 1.203 1101 V CA 1.341 63.666 62.300 0.041 0.000 1.133 1101 V CB -0.065 31.820 31.823 0.102 0.000 0.802 1101 V HN 0.120 nan 8.190 nan 0.000 0.459 1102 T N -2.047 112.581 114.554 0.124 0.000 3.084 1102 T HA 0.115 4.564 4.350 0.164 0.000 0.270 1102 T C 1.451 176.260 174.700 0.182 0.000 1.008 1102 T CA 0.497 62.686 62.100 0.148 0.000 0.900 1102 T CB -0.550 68.393 68.868 0.125 0.000 1.084 1102 T HN 0.722 nan 8.240 nan 0.000 0.538 1103 H N 2.000 121.067 119.070 -0.005 0.000 2.556 1103 H HA 0.200 4.856 4.556 0.166 0.000 0.268 1103 H C 0.976 176.281 175.328 -0.039 0.000 0.996 1103 H CA 0.624 56.657 56.048 -0.026 0.000 1.157 1103 H CB -0.271 29.465 29.762 -0.043 0.000 1.355 1103 H HN 0.790 nan 8.280 nan 0.000 0.597 1104 E N 0.175 120.340 120.200 -0.058 0.000 2.562 1104 E HA 0.203 4.652 4.350 0.164 0.000 0.214 1104 E C -0.455 176.099 176.600 -0.078 0.000 0.979 1104 E CA -0.493 55.786 56.400 -0.202 0.000 1.002 1104 E CB 0.317 29.876 29.700 -0.236 0.000 1.048 1104 E HN 0.112 nan 8.360 nan 0.000 0.488 1105 I N 2.042 122.608 120.570 -0.005 0.000 2.342 1105 I HA 0.183 4.451 4.170 0.164 0.000 0.291 1105 I C -0.212 175.900 176.117 -0.007 0.000 1.010 1105 I CA -0.619 60.692 61.300 0.018 0.000 1.308 1105 I CB 1.427 39.461 38.000 0.056 0.000 1.400 1105 I HN -0.094 nan 8.210 nan 0.000 0.488 1106 V N 5.761 125.668 119.914 -0.012 0.000 3.202 1106 V HA 0.495 4.714 4.120 0.164 0.000 0.306 1106 V C -0.753 175.320 176.094 -0.035 0.000 1.283 1106 V CA -0.910 61.370 62.300 -0.033 0.000 1.065 1106 V CB 2.501 34.303 31.823 -0.034 0.000 1.079 1106 V HN 0.235 nan 8.190 nan 0.000 0.448 1107 V N 3.463 123.346 119.914 -0.052 0.000 2.293 1107 V HA 0.591 4.810 4.120 0.164 0.000 0.275 1107 V C -0.444 175.622 176.094 -0.046 0.000 1.021 1107 V CA -0.575 61.691 62.300 -0.056 0.000 0.815 1107 V CB 0.784 32.554 31.823 -0.088 0.000 1.025 1107 V HN 0.861 nan 8.190 nan 0.000 0.448 1108 R N 4.066 124.531 120.500 -0.058 0.000 2.502 1108 R HA 0.833 5.272 4.340 0.164 0.000 0.298 1108 R C -0.701 175.517 176.300 -0.136 0.000 1.018 1108 R CA -0.607 55.438 56.100 -0.093 0.000 0.899 1108 R CB 2.308 32.586 30.300 -0.036 0.000 1.181 1108 R HN 0.878 nan 8.270 nan 0.000 0.444 1109 E N 1.690 121.741 120.200 -0.248 0.000 2.357 1109 E HA 0.756 5.204 4.350 0.164 0.000 0.264 1109 E C -1.826 174.621 176.600 -0.254 0.000 1.164 1109 E CA -1.010 55.268 56.400 -0.203 0.000 0.893 1109 E CB 0.915 30.542 29.700 -0.123 0.000 1.619 1109 E HN 0.643 nan 8.360 nan 0.000 0.464 1110 A N 0.919 123.651 122.820 -0.146 0.000 2.500 1110 A HA 0.505 4.924 4.320 0.164 0.000 0.291 1110 A C -1.370 176.178 177.584 -0.060 0.000 1.048 1110 A CA -0.349 51.625 52.037 -0.105 0.000 0.791 1110 A CB 1.126 20.076 19.000 -0.083 0.000 1.309 1110 A HN 0.734 nan 8.150 nan 0.000 0.397 1111 D N 2.328 122.707 120.400 -0.035 0.000 6.826 1111 D HA -0.036 4.703 4.640 0.164 0.000 0.196 1111 D C 1.002 177.288 176.300 -0.023 0.000 1.416 1111 D CA 1.147 55.136 54.000 -0.018 0.000 0.858 1111 D CB -0.733 40.064 40.800 -0.005 0.000 1.523 1111 D HN 0.979 nan 8.370 nan 0.000 0.885 1112 C N 2.607 121.891 119.300 -0.027 0.000 2.465 1112 C HA 0.359 4.918 4.460 0.164 0.000 0.402 1112 C C 2.100 177.079 174.990 -0.019 0.000 1.448 1112 C CA -0.319 58.682 59.018 -0.027 0.000 1.589 1112 C CB -0.049 27.675 27.740 -0.027 0.000 2.535 1112 C HN 0.651 nan 8.230 nan 0.000 0.600 1113 G N 2.468 111.257 108.800 -0.018 0.000 2.448 1113 G HA2 0.021 4.080 3.960 0.164 0.000 0.218 1113 G HA3 0.021 4.080 3.960 0.164 0.000 0.218 1113 G C 0.869 175.766 174.900 -0.004 0.000 1.135 1113 G CA 0.861 45.955 45.100 -0.010 0.000 0.784 1113 G HN 0.930 nan 8.290 nan 0.000 0.543 1114 T N 1.793 116.343 114.554 -0.007 0.000 2.761 1114 T HA 0.319 4.768 4.350 0.164 0.000 0.287 1114 T C 0.056 174.763 174.700 0.011 0.000 0.931 1114 T CA 0.121 62.221 62.100 -0.000 0.000 1.164 1114 T CB -0.040 68.823 68.868 -0.009 0.000 0.876 1114 T HN -0.007 nan 8.240 nan 0.000 0.534 1115 T N 7.077 121.646 114.554 0.025 0.000 3.477 1115 T HA 0.275 4.723 4.350 0.164 0.000 0.347 1115 T C 0.009 174.747 174.700 0.063 0.000 1.567 1115 T CA -0.670 61.466 62.100 0.059 0.000 1.169 1115 T CB -0.338 68.576 68.868 0.076 0.000 1.196 1115 T HN 0.451 nan 8.240 nan 0.000 0.768 1116 N N 3.190 121.904 118.700 0.023 0.000 2.569 1116 N HA 0.270 5.109 4.740 0.164 0.000 0.254 1116 N C -0.727 174.751 175.510 -0.053 0.000 1.004 1116 N CA -0.534 52.471 53.050 -0.074 0.000 0.904 1116 N CB 1.334 39.782 38.487 -0.065 0.000 1.165 1116 N HN 0.562 nan 8.380 nan 0.000 0.513 1117 Y N 0.521 120.813 120.300 -0.014 0.000 2.458 1117 Y HA 0.666 5.314 4.550 0.164 0.000 0.322 1117 Y C -0.193 175.699 175.900 -0.014 0.000 1.259 1117 Y CA -1.119 56.968 58.100 -0.021 0.000 1.302 1117 Y CB 1.028 39.471 38.460 -0.029 0.000 1.314 1117 Y HN 0.161 nan 8.280 nan 0.000 0.509 1118 I N 2.030 122.744 120.570 0.241 0.000 2.354 1118 I HA 0.245 4.513 4.170 0.164 0.000 0.292 1118 I C -0.651 175.617 176.117 0.251 0.000 0.989 1118 I CA -0.537 60.854 61.300 0.153 0.000 1.188 1118 I CB 1.557 39.597 38.000 0.068 0.000 1.342 1118 I HN 0.727 nan 8.210 nan 0.000 0.457 1119 S N 5.769 121.604 115.700 0.225 0.000 2.411 1119 S HA 0.339 4.908 4.470 0.164 0.000 0.294 1119 S C 0.023 174.672 174.600 0.081 0.000 1.115 1119 S CA -0.541 57.768 58.200 0.181 0.000 1.071 1119 S CB 0.960 64.287 63.200 0.212 0.000 0.967 1119 S HN 0.315 nan 8.310 nan 0.000 0.488 1120 V N 6.638 126.574 119.914 0.038 0.000 2.439 1120 V HA 0.194 4.413 4.120 0.164 0.000 0.271 1120 V C -2.181 173.911 176.094 -0.003 0.000 1.040 1120 V CA -1.870 60.433 62.300 0.005 0.000 1.002 1120 V CB 0.125 31.934 31.823 -0.024 0.000 1.000 1120 V HN 0.584 nan 8.190 nan 0.000 0.477 1121 P HA 0.129 nan 4.420 nan 0.000 0.268 1121 P C 0.055 177.312 177.300 -0.072 0.000 1.204 1121 P CA -0.133 62.975 63.100 0.013 0.000 0.768 1121 P CB 0.627 32.345 31.700 0.031 0.000 0.842 1122 L N 2.467 123.600 121.223 -0.151 0.000 2.640 1122 L HA 0.328 4.767 4.340 0.164 0.000 0.230 1122 L C 0.009 176.325 176.870 -0.922 0.000 1.123 1122 L CA 0.637 55.161 54.840 -0.527 0.000 0.900 1122 L CB -0.771 40.863 42.059 -0.709 0.000 1.146 1122 L HN 0.259 nan 8.230 nan 0.000 0.484 1123 F N -0.327 119.625 119.950 0.003 0.000 2.556 1123 F HA 0.516 5.141 4.527 0.164 0.000 0.314 1123 F C 0.118 175.920 175.800 0.003 0.000 1.106 1123 F CA -1.196 56.806 58.000 0.004 0.000 0.911 1123 F CB 1.482 40.485 39.000 0.005 0.000 1.190 1123 F HN -0.069 nan 8.300 nan 0.000 0.448 1124 Q N 2.921 122.818 119.800 0.162 0.000 2.271 1124 Q HA 0.583 5.021 4.340 0.164 0.000 0.258 1124 Q C -2.706 173.349 176.000 0.092 0.000 0.936 1124 Q CA -1.805 54.054 55.803 0.092 0.000 0.909 1124 Q CB 2.001 30.768 28.738 0.047 0.000 1.253 1124 Q HN 0.270 nan 8.270 nan 0.000 0.440 1125 P HA -0.159 nan 4.420 nan 0.000 0.212 1125 P C -0.693 176.633 177.300 0.043 0.000 1.180 1125 P CA 0.632 63.764 63.100 0.054 0.000 0.770 1125 P CB 0.096 31.825 31.700 0.048 0.000 0.568 1126 D N -1.546 118.876 120.400 0.036 0.000 2.168 1126 D HA 0.167 4.906 4.640 0.164 0.000 0.246 1126 D C 0.353 176.669 176.300 0.026 0.000 1.050 1126 D CA -0.282 53.736 54.000 0.030 0.000 0.857 1126 D CB 1.038 41.855 40.800 0.028 0.000 1.169 1126 D HN 0.113 nan 8.370 nan 0.000 0.453 1127 E N 2.199 122.414 120.200 0.024 0.000 3.001 1127 E HA 0.017 4.466 4.350 0.164 0.000 0.211 1127 E C 1.163 177.774 176.600 0.020 0.000 1.026 1127 E CA 0.104 56.517 56.400 0.021 0.000 1.614 1127 E CB 0.681 30.393 29.700 0.020 0.000 1.672 1127 E HN 0.337 nan 8.360 nan 0.000 0.869 1128 V N 0.416 120.342 119.914 0.020 0.000 3.174 1128 V HA 0.106 4.324 4.120 0.164 0.000 0.254 1128 V C 0.750 176.855 176.094 0.018 0.000 1.120 1128 V CA 1.926 64.237 62.300 0.018 0.000 1.114 1128 V CB 0.842 32.676 31.823 0.018 0.000 0.756 1128 V HN 0.348 nan 8.190 nan 0.000 0.467 1129 T N -1.586 112.980 114.554 0.020 0.000 2.606 1129 T HA 0.115 4.564 4.350 0.164 0.000 0.246 1129 T C -1.512 173.200 174.700 0.021 0.000 2.105 1129 T CA -0.707 61.404 62.100 0.019 0.000 0.967 1129 T CB 0.234 69.113 68.868 0.017 0.000 2.295 1129 T HN 0.128 nan 8.240 nan 0.000 0.402 1130 R N 1.370 121.882 120.500 0.020 0.000 2.351 1130 R HA 0.610 5.048 4.340 0.164 0.000 0.318 1130 R C -1.028 175.280 176.300 0.015 0.000 1.055 1130 R CA 0.695 56.806 56.100 0.020 0.000 0.968 1130 R CB 0.039 30.350 30.300 0.019 0.000 0.974 1130 R HN 0.608 nan 8.270 nan 0.000 0.439 1131 S N 3.688 119.398 115.700 0.016 0.000 2.511 1131 S HA 0.207 4.775 4.470 0.164 0.000 0.283 1131 S C -1.382 173.230 174.600 0.020 0.000 1.078 1131 S CA -0.988 57.220 58.200 0.012 0.000 0.994 1131 S CB 0.572 63.781 63.200 0.015 0.000 1.171 1131 S HN 0.247 nan 8.310 nan 0.000 0.444 1132 L N 3.504 124.728 121.223 0.002 0.000 2.462 1132 L HA 0.423 4.861 4.340 0.164 0.000 0.272 1132 L C 0.897 177.806 176.870 0.065 0.000 1.166 1132 L CA 0.802 55.651 54.840 0.014 0.000 0.880 1132 L CB -0.205 41.798 42.059 -0.093 0.000 1.142 1132 L HN 0.580 nan 8.230 nan 0.000 0.473 1133 R N 2.458 123.052 120.500 0.156 0.000 2.919 1133 R HA 0.692 5.131 4.340 0.164 0.000 0.260 1133 R C -1.267 175.233 176.300 0.334 0.000 1.067 1133 R CA -1.335 54.876 56.100 0.186 0.000 1.003 1133 R CB 1.408 31.772 30.300 0.106 0.000 1.192 1133 R HN 0.237 nan 8.270 nan 0.000 0.488 1134 L N 2.243 123.600 121.223 0.223 0.000 2.260 1134 L HA 0.280 4.719 4.340 0.164 0.000 0.289 1134 L C 0.101 176.960 176.870 -0.017 0.000 1.057 1134 L CA -0.076 54.812 54.840 0.080 0.000 0.811 1134 L CB 0.619 42.715 42.059 0.063 0.000 1.184 1134 L HN 0.357 nan 8.230 nan 0.000 0.429 1135 R N 4.201 124.642 120.500 -0.098 0.000 2.697 1135 R HA 0.018 4.456 4.340 0.164 0.000 0.265 1135 R C 0.016 176.281 176.300 -0.058 0.000 1.009 1135 R CA -0.015 56.044 56.100 -0.068 0.000 1.099 1135 R CB 0.178 30.418 30.300 -0.100 0.000 0.965 1135 R HN 0.596 nan 8.270 nan 0.000 0.428 1136 K N 2.507 122.888 120.400 -0.032 0.000 2.559 1136 K HA -0.173 4.245 4.320 0.164 0.000 0.279 1136 K C 1.420 178.002 176.600 -0.030 0.000 0.967 1136 K CA 0.237 56.511 56.287 -0.022 0.000 1.000 1136 K CB 0.426 32.918 32.500 -0.014 0.000 0.890 1136 K HN 0.576 nan 8.250 nan 0.000 0.501 1137 R N 2.436 122.928 120.500 -0.014 0.000 2.112 1137 R HA -0.296 4.143 4.340 0.164 0.000 0.242 1137 R C 1.960 178.249 176.300 -0.018 0.000 1.137 1137 R CA 2.139 58.239 56.100 -0.001 0.000 0.944 1137 R CB -0.522 29.792 30.300 0.024 0.000 0.857 1137 R HN 0.783 nan 8.270 nan 0.000 0.435 1138 A N 1.855 124.662 122.820 -0.022 0.000 1.848 1138 A HA -0.281 4.138 4.320 0.164 0.000 0.217 1138 A C 1.869 179.417 177.584 -0.060 0.000 1.220 1138 A CA 2.186 54.199 52.037 -0.040 0.000 0.645 1138 A CB -1.134 17.849 19.000 -0.029 0.000 0.842 1138 A HN 0.650 nan 8.150 nan 0.000 0.451 1139 D N -0.022 120.347 120.400 -0.052 0.000 2.133 1139 D HA -0.198 4.541 4.640 0.164 0.000 0.192 1139 D C 1.965 178.214 176.300 -0.085 0.000 1.001 1139 D CA 1.765 55.726 54.000 -0.064 0.000 0.844 1139 D CB -0.531 40.240 40.800 -0.049 0.000 0.944 1139 D HN 0.561 nan 8.370 nan 0.000 0.447 1140 I N 1.507 122.028 120.570 -0.082 0.000 2.194 1140 I HA -0.278 3.991 4.170 0.164 0.000 0.246 1140 I C 2.479 178.542 176.117 -0.091 0.000 1.093 1140 I CA 1.276 62.519 61.300 -0.095 0.000 1.355 1140 I CB -0.401 37.539 38.000 -0.100 0.000 1.046 1140 I HN 0.040 nan 8.210 nan 0.000 0.413 1141 E N 1.108 121.259 120.200 -0.083 0.000 2.038 1141 E HA -0.269 4.179 4.350 0.164 0.000 0.195 1141 E C 2.373 178.895 176.600 -0.130 0.000 1.000 1141 E CA 1.492 57.843 56.400 -0.081 0.000 0.803 1141 E CB -0.308 29.326 29.700 -0.110 0.000 0.750 1141 E HN 0.543 nan 8.360 nan 0.000 0.448 1142 A N 1.148 123.859 122.820 -0.181 0.000 1.958 1142 A HA -0.201 4.217 4.320 0.164 0.000 0.221 1142 A C 2.374 179.707 177.584 -0.420 0.000 1.178 1142 A CA 2.131 53.988 52.037 -0.300 0.000 0.642 1142 A CB -0.993 17.899 19.000 -0.180 0.000 0.816 1142 A HN 0.389 nan 8.150 nan 0.000 0.453 1143 G N -1.919 106.747 108.800 -0.223 0.000 2.662 1143 G HA2 0.264 4.322 3.960 0.164 0.000 0.212 1143 G HA3 0.264 4.322 3.960 0.164 0.000 0.212 1143 G C 1.362 176.203 174.900 -0.099 0.000 1.141 1143 G CA 0.631 45.640 45.100 -0.152 0.000 0.797 1143 G HN 0.407 nan 8.290 nan 0.000 0.531 1144 L N -1.314 119.855 121.223 -0.091 0.000 2.577 1144 L HA 0.354 4.793 4.340 0.164 0.000 0.225 1144 L C 1.031 177.902 176.870 0.001 0.000 1.053 1144 L CA -0.604 54.210 54.840 -0.044 0.000 0.866 1144 L CB 0.095 42.122 42.059 -0.053 0.000 1.132 1144 L HN 0.218 nan 8.230 nan 0.000 0.486 1145 Y N 1.456 121.703 120.300 -0.089 0.000 2.861 1145 Y HA 0.042 4.690 4.550 0.164 0.000 0.344 1145 Y C 1.449 177.445 175.900 0.160 0.000 1.272 1145 Y CA 0.674 58.776 58.100 0.003 0.000 1.502 1145 Y CB 0.530 38.978 38.460 -0.020 0.000 1.333 1145 Y HN 0.244 nan 8.280 nan 0.000 0.634 1146 G N 4.905 113.186 108.800 -0.864 0.000 2.450 1146 G HA2 -0.284 3.775 3.960 0.164 0.000 0.302 1146 G HA3 -0.284 3.775 3.960 0.164 0.000 0.302 1146 G C 0.108 174.961 174.900 -0.078 0.000 0.957 1146 G CA 0.327 45.187 45.100 -0.400 0.000 1.005 1146 G HN 0.544 nan 8.290 nan 0.000 0.514 1147 R N -1.624 118.802 120.500 -0.123 0.000 2.797 1147 R HA 0.725 5.164 4.340 0.164 0.000 0.251 1147 R C -0.241 175.947 176.300 -0.187 0.000 1.107 1147 R CA -0.996 55.041 56.100 -0.104 0.000 1.084 1147 R CB 1.423 31.676 30.300 -0.077 0.000 1.205 1147 R HN 0.129 nan 8.270 nan 0.000 0.515 1148 V N 2.285 122.056 119.914 -0.238 0.000 2.444 1148 V HA 0.306 4.525 4.120 0.164 0.000 0.294 1148 V C 0.334 176.278 176.094 -0.250 0.000 1.022 1148 V CA -0.767 61.311 62.300 -0.370 0.000 0.850 1148 V CB 1.710 33.210 31.823 -0.539 0.000 0.992 1148 V HN 0.462 nan 8.190 nan 0.000 0.426 1149 L N 4.082 125.167 121.223 -0.230 0.000 2.513 1149 L HA 0.123 4.561 4.340 0.164 0.000 0.272 1149 L C 1.726 178.477 176.870 -0.199 0.000 1.187 1149 L CA 0.329 55.051 54.840 -0.195 0.000 0.895 1149 L CB 1.001 42.959 42.059 -0.168 0.000 1.147 1149 L HN 0.881 nan 8.230 nan 0.000 0.483 1150 A N 6.067 128.748 122.820 -0.232 0.000 1.845 1150 A HA -0.079 4.339 4.320 0.164 0.000 0.215 1150 A C 0.927 178.383 177.584 -0.214 0.000 1.195 1150 A CA 1.151 53.051 52.037 -0.228 0.000 0.616 1150 A CB -0.039 18.703 19.000 -0.430 0.000 0.832 1150 A HN 0.809 nan 8.150 nan 0.000 0.443 1151 R N -0.672 119.660 120.500 -0.281 0.000 2.795 1151 R HA 0.557 4.996 4.340 0.164 0.000 0.275 1151 R C -0.682 175.525 176.300 -0.154 0.000 0.981 1151 R CA -0.885 55.102 56.100 -0.188 0.000 0.917 1151 R CB 1.243 31.430 30.300 -0.188 0.000 1.202 1151 R HN 0.214 nan 8.270 nan 0.000 0.469 1152 E N 1.397 121.536 120.200 -0.102 0.000 2.415 1152 E HA 0.101 4.549 4.350 0.164 0.000 0.262 1152 E C -1.027 175.528 176.600 -0.075 0.000 1.038 1152 E CA 0.166 56.517 56.400 -0.080 0.000 0.921 1152 E CB 1.090 30.757 29.700 -0.055 0.000 0.950 1152 E HN 0.358 nan 8.360 nan 0.000 0.438 1153 V N 4.682 124.558 119.914 -0.064 0.000 2.532 1153 V HA 0.145 4.363 4.120 0.164 0.000 0.294 1153 V C -0.493 175.580 176.094 -0.034 0.000 1.036 1153 V CA -0.682 61.587 62.300 -0.051 0.000 0.876 1153 V CB 1.712 33.500 31.823 -0.058 0.000 1.012 1153 V HN 0.628 nan 8.190 nan 0.000 0.432 1154 E N 2.616 122.802 120.200 -0.024 0.000 2.223 1154 E HA 0.392 4.840 4.350 0.164 0.000 0.282 1154 E C -0.194 176.401 176.600 -0.009 0.000 1.046 1154 E CA -0.122 56.269 56.400 -0.015 0.000 0.857 1154 E CB 2.174 31.867 29.700 -0.011 0.000 1.055 1154 E HN 0.502 nan 8.360 nan 0.000 0.409 1155 V N 3.702 123.612 119.914 -0.005 0.000 3.204 1155 V HA 0.014 4.233 4.120 0.164 0.000 0.218 1155 V C 1.207 177.306 176.094 0.008 0.000 1.159 1155 V CA 0.164 62.466 62.300 0.003 0.000 1.282 1155 V CB 0.021 31.847 31.823 0.004 0.000 1.225 1155 V HN 0.584 nan 8.190 nan 0.000 0.509 1156 L N 0.291 121.519 121.223 0.008 0.000 2.910 1156 L HA 0.554 4.993 4.340 0.164 0.000 0.252 1156 L C 1.143 178.017 176.870 0.007 0.000 1.195 1156 L CA 0.856 55.703 54.840 0.010 0.000 1.003 1156 L CB 0.785 42.852 42.059 0.014 0.000 1.328 1156 L HN 0.686 nan 8.230 nan 0.000 0.540 1157 G N -0.868 107.934 108.800 0.003 0.000 2.421 1157 G HA2 -0.171 3.888 3.960 0.164 0.000 0.188 1157 G HA3 -0.171 3.888 3.960 0.164 0.000 0.188 1157 G C 0.021 174.920 174.900 -0.001 0.000 1.001 1157 G CA -0.295 44.806 45.100 0.002 0.000 0.693 1157 G HN -0.020 nan 8.290 nan 0.000 0.479 1158 V N 1.188 121.101 119.914 -0.002 0.000 2.617 1158 V HA 0.624 4.842 4.120 0.164 0.000 0.298 1158 V C 0.687 176.775 176.094 -0.010 0.000 1.048 1158 V CA -0.724 61.573 62.300 -0.005 0.000 0.964 1158 V CB 1.705 33.525 31.823 -0.005 0.000 1.004 1158 V HN 0.273 nan 8.190 nan 0.000 0.466 1159 R N 3.199 123.692 120.500 -0.012 0.000 2.280 1159 R HA 0.444 4.882 4.340 0.164 0.000 0.326 1159 R C -0.914 175.373 176.300 -0.022 0.000 1.080 1159 R CA -0.380 55.711 56.100 -0.016 0.000 1.002 1159 R CB 0.306 30.598 30.300 -0.014 0.000 1.136 1159 R HN 0.634 nan 8.270 nan 0.000 0.509 1160 L N 6.086 127.292 121.223 -0.029 0.000 2.401 1160 L HA 0.073 4.511 4.340 0.164 0.000 0.283 1160 L C 1.109 177.951 176.870 -0.047 0.000 1.151 1160 L CA -0.195 54.622 54.840 -0.039 0.000 0.942 1160 L CB 0.093 42.124 42.059 -0.046 0.000 1.283 1160 L HN 0.591 nan 8.230 nan 0.000 0.442 1161 E N 3.354 123.531 120.200 -0.039 0.000 2.468 1161 E HA -0.073 4.375 4.350 0.164 0.000 0.263 1161 E C -0.194 176.370 176.600 -0.060 0.000 1.192 1161 E CA -0.267 56.108 56.400 -0.041 0.000 1.016 1161 E CB 0.919 30.604 29.700 -0.026 0.000 0.980 1161 E HN 0.385 nan 8.360 nan 0.000 0.467 1162 E N -0.188 119.975 120.200 -0.061 0.000 2.331 1162 E HA 0.198 4.647 4.350 0.164 0.000 0.272 1162 E C 0.711 177.256 176.600 -0.091 0.000 1.036 1162 E CA 0.723 57.072 56.400 -0.084 0.000 0.864 1162 E CB 0.765 30.422 29.700 -0.072 0.000 1.035 1162 E HN 0.767 nan 8.360 nan 0.000 0.408 1163 G N 4.683 113.398 108.800 -0.141 0.000 2.304 1163 G HA2 -0.328 3.730 3.960 0.164 0.000 0.252 1163 G HA3 -0.328 3.730 3.960 0.164 0.000 0.252 1163 G C 0.643 175.387 174.900 -0.261 0.000 1.014 1163 G CA 0.480 45.462 45.100 -0.196 0.000 0.619 1163 G HN 0.594 nan 8.290 nan 0.000 0.525 1164 R N 0.389 120.811 120.500 -0.130 0.000 2.585 1164 R HA 0.229 4.667 4.340 0.164 0.000 0.275 1164 R C -0.440 175.781 176.300 -0.132 0.000 1.018 1164 R CA -0.069 56.006 56.100 -0.040 0.000 1.072 1164 R CB -0.084 30.197 30.300 -0.032 0.000 0.953 1164 R HN 0.256 nan 8.270 nan 0.000 0.419 1165 Y N 5.536 125.725 120.300 -0.185 0.000 2.556 1165 Y HA 0.121 4.769 4.550 0.164 0.000 0.352 1165 Y C 0.324 175.935 175.900 -0.481 0.000 1.006 1165 Y CA -0.825 57.083 58.100 -0.319 0.000 1.277 1165 Y CB 0.243 38.496 38.460 -0.344 0.000 1.136 1165 Y HN 0.360 nan 8.280 nan 0.000 0.523 1166 L N 1.719 122.792 121.223 -0.248 0.000 2.615 1166 L HA 0.254 4.693 4.340 0.164 0.000 0.271 1166 L C 0.635 177.306 176.870 -0.332 0.000 1.183 1166 L CA -0.271 54.429 54.840 -0.233 0.000 0.933 1166 L CB -0.072 41.895 42.059 -0.153 0.000 1.199 1166 L HN 0.568 nan 8.230 nan 0.000 0.487 1167 S N 3.501 119.037 115.700 -0.273 0.000 2.655 1167 S HA 0.269 4.837 4.470 0.164 0.000 0.265 1167 S C 1.028 175.666 174.600 0.063 0.000 1.240 1167 S CA -0.539 57.571 58.200 -0.151 0.000 0.986 1167 S CB 1.243 64.416 63.200 -0.045 0.000 0.985 1167 S HN 0.778 nan 8.310 nan 0.000 0.562 1168 M N 1.226 121.014 119.600 0.314 0.000 2.088 1168 M HA -0.162 4.416 4.480 0.164 0.000 0.256 1168 M C 1.580 177.814 176.300 -0.109 0.000 1.071 1168 M CA 2.061 57.470 55.300 0.182 0.000 1.097 1168 M CB -1.382 31.363 32.600 0.242 0.000 1.315 1168 M HN 0.831 nan 8.290 nan 0.000 0.406 1169 D N 0.177 120.593 120.400 0.028 0.000 2.126 1169 D HA -0.214 4.525 4.640 0.164 0.000 0.190 1169 D C 1.547 177.881 176.300 0.057 0.000 1.001 1169 D CA 1.943 56.002 54.000 0.098 0.000 0.841 1169 D CB -0.445 40.415 40.800 0.100 0.000 0.949 1169 D HN 0.498 nan 8.370 nan 0.000 0.446 1170 D N 0.187 120.594 120.400 0.011 0.000 2.265 1170 D HA -0.099 4.639 4.640 0.164 0.000 0.208 1170 D C 2.071 178.364 176.300 -0.012 0.000 0.977 1170 D CA 0.410 54.406 54.000 -0.007 0.000 0.871 1170 D CB 0.185 40.958 40.800 -0.045 0.000 0.925 1170 D HN 0.176 nan 8.370 nan 0.000 0.485 1171 V N 0.016 119.909 119.914 -0.035 0.000 3.235 1171 V HA -0.087 4.131 4.120 0.164 0.000 0.259 1171 V C 1.811 177.907 176.094 0.003 0.000 1.133 1171 V CA 0.849 63.125 62.300 -0.039 0.000 1.128 1171 V CB -0.560 31.235 31.823 -0.046 0.000 0.757 1171 V HN 0.239 nan 8.190 nan 0.000 0.469 1172 H N -0.741 118.347 119.070 0.029 0.000 2.372 1172 H HA -0.045 4.610 4.556 0.165 0.000 0.301 1172 H C 2.179 177.511 175.328 0.007 0.000 1.065 1172 H CA 1.149 57.208 56.048 0.018 0.000 1.364 1172 H CB 0.275 30.055 29.762 0.030 0.000 1.406 1172 H HN 0.280 nan 8.280 nan 0.000 0.521 1173 L N 0.902 122.208 121.223 0.138 0.000 1.955 1173 L HA -0.209 4.229 4.340 0.164 0.000 0.213 1173 L C 2.024 178.921 176.870 0.045 0.000 1.072 1173 L CA 1.538 56.421 54.840 0.071 0.000 0.755 1173 L CB -0.702 41.383 42.059 0.044 0.000 0.888 1173 L HN 0.258 nan 8.230 nan 0.000 0.432 1174 L N -0.989 120.249 121.223 0.025 0.000 2.089 1174 L HA -0.305 4.134 4.340 0.164 0.000 0.213 1174 L C 2.475 179.345 176.870 -0.001 0.000 1.079 1174 L CA 1.649 56.491 54.840 0.003 0.000 0.758 1174 L CB -0.560 41.485 42.059 -0.023 0.000 0.891 1174 L HN 0.366 nan 8.230 nan 0.000 0.433 1175 I N -0.358 120.217 120.570 0.009 0.000 2.202 1175 I HA -0.295 3.974 4.170 0.164 0.000 0.242 1175 I C 2.701 178.831 176.117 0.022 0.000 1.091 1175 I CA 1.272 62.569 61.300 -0.005 0.000 1.368 1175 I CB -0.385 37.630 38.000 0.026 0.000 1.058 1175 I HN 0.259 nan 8.210 nan 0.000 0.410 1176 K N 1.645 122.068 120.400 0.038 0.000 2.152 1176 K HA -0.205 4.213 4.320 0.164 0.000 0.206 1176 K C 2.110 178.736 176.600 0.043 0.000 1.048 1176 K CA 1.592 57.901 56.287 0.036 0.000 0.933 1176 K CB -0.047 32.472 32.500 0.032 0.000 0.721 1176 K HN 0.309 nan 8.250 nan 0.000 0.447 1177 A N 1.047 123.893 122.820 0.044 0.000 1.897 1177 A HA 0.017 4.435 4.320 0.164 0.000 0.215 1177 A C 2.333 179.969 177.584 0.086 0.000 1.181 1177 A CA 1.472 53.540 52.037 0.052 0.000 0.620 1177 A CB -0.697 18.328 19.000 0.041 0.000 0.821 1177 A HN 0.455 nan 8.150 nan 0.000 0.443 1178 A N -0.333 122.551 122.820 0.106 0.000 2.024 1178 A HA -0.177 4.242 4.320 0.164 0.000 0.220 1178 A C 1.908 179.642 177.584 0.250 0.000 1.164 1178 A CA 1.611 53.794 52.037 0.245 0.000 0.643 1178 A CB -0.478 18.595 19.000 0.122 0.000 0.806 1178 A HN 0.629 nan 8.150 nan 0.000 0.451 1179 E N -0.417 119.867 120.200 0.139 0.000 2.077 1179 E HA -0.159 4.290 4.350 0.164 0.000 0.193 1179 E C 2.349 179.001 176.600 0.087 0.000 0.989 1179 E CA 1.055 57.522 56.400 0.112 0.000 0.800 1179 E CB -0.220 29.520 29.700 0.067 0.000 0.746 1179 E HN 0.633 nan 8.360 nan 0.000 0.452 1180 A N 0.159 123.021 122.820 0.070 0.000 1.929 1180 A HA 0.058 4.477 4.320 0.164 0.000 0.216 1180 A C 1.607 179.217 177.584 0.042 0.000 1.176 1180 A CA 1.495 53.560 52.037 0.047 0.000 0.628 1180 A CB -0.176 18.847 19.000 0.038 0.000 0.816 1180 A HN 0.367 nan 8.150 nan 0.000 0.444 1181 G N -1.175 107.664 108.800 0.065 0.000 2.468 1181 G HA2 -0.078 3.980 3.960 0.164 0.000 0.143 1181 G HA3 -0.078 3.980 3.960 0.164 0.000 0.143 1181 G C -0.006 174.914 174.900 0.034 0.000 1.065 1181 G CA 0.382 45.505 45.100 0.038 0.000 0.776 1181 G HN 0.432 nan 8.290 nan 0.000 0.486 1182 E N -1.112 119.126 120.200 0.064 0.000 2.465 1182 E HA 0.326 4.775 4.350 0.164 0.000 0.209 1182 E C 0.469 177.107 176.600 0.063 0.000 0.951 1182 E CA 0.622 57.051 56.400 0.048 0.000 0.997 1182 E CB 0.686 30.409 29.700 0.037 0.000 1.025 1182 E HN 0.695 nan 8.360 nan 0.000 0.500 1183 I N -1.488 119.152 120.570 0.116 0.000 2.644 1183 I HA 0.263 4.531 4.170 0.164 0.000 0.291 1183 I C 0.092 176.393 176.117 0.306 0.000 1.180 1183 I CA -0.681 60.700 61.300 0.135 0.000 1.040 1183 I CB 1.853 39.900 38.000 0.079 0.000 1.255 1183 I HN -0.271 nan 8.210 nan 0.000 0.422 1184 Q N 2.326 122.301 119.800 0.293 0.000 2.378 1184 Q HA 0.386 4.824 4.340 0.164 0.000 0.229 1184 Q C 0.025 176.230 176.000 0.342 0.000 0.882 1184 Q CA 0.640 56.771 55.803 0.545 0.000 0.936 1184 Q CB 0.915 29.786 28.738 0.222 0.000 1.092 1184 Q HN 0.783 nan 8.270 nan 0.000 0.535 1185 E N -1.119 119.178 120.200 0.162 0.000 2.447 1185 E HA 0.564 5.013 4.350 0.164 0.000 0.258 1185 E C -1.377 175.240 176.600 0.029 0.000 0.916 1185 E CA -1.081 55.369 56.400 0.084 0.000 0.846 1185 E CB 2.524 32.277 29.700 0.089 0.000 1.517 1185 E HN -0.156 nan 8.360 nan 0.000 0.418 1186 V N 2.027 121.944 119.914 0.004 0.000 2.697 1186 V HA 0.251 4.469 4.120 0.164 0.000 0.300 1186 V C -2.621 173.427 176.094 -0.077 0.000 1.115 1186 V CA -1.470 60.804 62.300 -0.043 0.000 0.912 1186 V CB 2.065 33.855 31.823 -0.056 0.000 1.024 1186 V HN 0.503 nan 8.190 nan 0.000 0.431 1187 P HA 0.314 nan 4.420 nan 0.000 0.281 1187 P C -0.903 176.227 177.300 -0.284 0.000 1.286 1187 P CA 0.106 62.961 63.100 -0.408 0.000 0.772 1187 P CB 2.003 33.317 31.700 -0.642 0.000 0.862 1188 V N 5.008 124.829 119.914 -0.154 0.000 2.851 1188 V HA 0.377 4.595 4.120 0.164 0.000 0.307 1188 V C -0.351 175.734 176.094 -0.014 0.000 1.129 1188 V CA -1.033 61.209 62.300 -0.097 0.000 0.932 1188 V CB 2.612 34.389 31.823 -0.077 0.000 1.024 1188 V HN 0.354 nan 8.190 nan 0.000 0.426 1189 R N 2.907 123.377 120.500 -0.051 0.000 2.679 1189 R HA 0.545 4.983 4.340 0.164 0.000 0.268 1189 R C -0.079 176.203 176.300 -0.029 0.000 1.044 1189 R CA 0.438 56.524 56.100 -0.022 0.000 1.105 1189 R CB 1.102 31.360 30.300 -0.070 0.000 0.989 1189 R HN 0.915 nan 8.270 nan 0.000 0.447 1190 S N 2.051 117.746 115.700 -0.008 0.000 2.565 1190 S HA 0.371 4.939 4.470 0.164 0.000 0.269 1190 S C -2.269 172.326 174.600 -0.007 0.000 1.153 1190 S CA -1.200 56.985 58.200 -0.025 0.000 0.835 1190 S CB 1.779 64.971 63.200 -0.013 0.000 1.122 1190 S HN 0.216 nan 8.310 nan 0.000 0.462 1191 P HA -0.012 nan 4.420 nan 0.000 0.216 1191 P C 1.411 178.719 177.300 0.014 0.000 1.150 1191 P CA 1.124 64.239 63.100 0.025 0.000 0.837 1191 P CB -0.049 31.679 31.700 0.046 0.000 0.786 1192 L N -1.312 119.914 121.223 0.005 0.000 2.357 1192 L HA -0.153 4.285 4.340 0.164 0.000 0.220 1192 L C 1.118 177.988 176.870 0.001 0.000 1.123 1192 L CA 1.896 56.738 54.840 0.004 0.000 0.782 1192 L CB -1.371 40.689 42.059 0.002 0.000 0.910 1192 L HN 0.186 nan 8.230 nan 0.000 0.442 1193 T N -5.789 108.765 114.554 0.000 0.000 3.571 1193 T HA 0.231 4.680 4.350 0.164 0.000 0.292 1193 T C -0.055 174.641 174.700 -0.007 0.000 0.994 1193 T CA -0.608 61.489 62.100 -0.006 0.000 0.996 1193 T CB -0.657 68.206 68.868 -0.009 0.000 1.185 1193 T HN 0.018 nan 8.240 nan 0.000 0.482 1194 C N 2.722 122.017 119.300 -0.008 0.000 2.605 1194 C HA 0.370 4.928 4.460 0.164 0.000 0.404 1194 C C 2.139 177.108 174.990 -0.036 0.000 1.284 1194 C CA -0.081 58.928 59.018 -0.014 0.000 2.199 1194 C CB 1.076 28.814 27.740 -0.004 0.000 2.647 1194 C HN 0.882 nan 8.230 nan 0.000 0.604 1195 Q N 1.555 121.330 119.800 -0.041 0.000 2.204 1195 Q HA 0.014 4.453 4.340 0.164 0.000 0.198 1195 Q C 0.596 176.541 176.000 -0.091 0.000 0.946 1195 Q CA 0.781 56.548 55.803 -0.061 0.000 0.859 1195 Q CB -0.447 28.262 28.738 -0.047 0.000 0.946 1195 Q HN 0.691 nan 8.270 nan 0.000 0.474 1196 T N 3.287 117.794 114.554 -0.079 0.000 2.734 1196 T HA -0.005 4.444 4.350 0.164 0.000 0.269 1196 T C 0.558 175.171 174.700 -0.146 0.000 0.964 1196 T CA 0.320 62.361 62.100 -0.098 0.000 1.226 1196 T CB 0.348 69.178 68.868 -0.063 0.000 0.910 1196 T HN 0.451 nan 8.240 nan 0.000 0.534 1197 R N 3.618 123.966 120.500 -0.254 0.000 2.222 1197 R HA -0.213 4.226 4.340 0.164 0.000 0.235 1197 R C 0.192 176.224 176.300 -0.447 0.000 1.112 1197 R CA 1.791 57.594 56.100 -0.495 0.000 0.897 1197 R CB -0.658 29.180 30.300 -0.769 0.000 0.882 1197 R HN 0.647 nan 8.270 nan 0.000 0.429 1198 Y N 1.316 121.567 120.300 -0.082 0.000 2.721 1198 Y HA 0.568 5.216 4.550 0.163 0.000 0.328 1198 Y C 0.533 176.397 175.900 -0.060 0.000 1.003 1198 Y CA -0.326 57.729 58.100 -0.075 0.000 1.275 1198 Y CB 1.594 40.006 38.460 -0.080 0.000 1.097 1198 Y HN 0.686 nan 8.280 nan 0.000 0.514 1199 G N 0.391 109.240 108.800 0.082 0.000 2.359 1199 G HA2 0.264 4.322 3.960 0.164 0.000 0.314 1199 G HA3 0.264 4.322 3.960 0.164 0.000 0.314 1199 G C -2.262 172.646 174.900 0.013 0.000 1.364 1199 G CA -0.970 44.148 45.100 0.031 0.000 0.978 1199 G HN 0.294 nan 8.290 nan 0.000 0.615 1200 V N -0.245 119.674 119.914 0.009 0.000 2.932 1200 V HA 0.602 4.820 4.120 0.164 0.000 0.307 1200 V C 0.878 176.980 176.094 0.013 0.000 1.147 1200 V CA -0.233 62.082 62.300 0.024 0.000 0.951 1200 V CB 1.420 33.287 31.823 0.073 0.000 1.031 1200 V HN 1.812 nan 8.190 nan 0.000 0.426 1201 C N 2.408 121.717 119.300 0.015 0.000 2.365 1201 C HA 0.496 5.055 4.460 0.164 0.000 0.374 1201 C C 1.681 176.703 174.990 0.054 0.000 1.318 1201 C CA -0.214 58.808 59.018 0.005 0.000 2.239 1201 C CB 0.983 28.711 27.740 -0.020 0.000 2.144 1201 C HN 1.017 nan 8.230 nan 0.000 0.581 1202 Q N 0.524 120.354 119.800 0.050 0.000 2.030 1202 Q HA -0.159 4.279 4.340 0.164 0.000 0.204 1202 Q C 2.245 178.338 176.000 0.156 0.000 0.986 1202 Q CA 2.035 57.911 55.803 0.123 0.000 0.843 1202 Q CB -0.102 28.708 28.738 0.120 0.000 0.904 1202 Q HN 0.764 nan 8.270 nan 0.000 0.420 1203 K N -0.649 119.794 120.400 0.073 0.000 2.209 1203 K HA -0.130 4.288 4.320 0.164 0.000 0.204 1203 K C 2.098 178.671 176.600 -0.046 0.000 1.048 1203 K CA 1.145 57.410 56.287 -0.037 0.000 0.940 1203 K CB 0.000 32.457 32.500 -0.072 0.000 0.729 1203 K HN 0.343 nan 8.250 nan 0.000 0.451 1204 C N -0.541 118.768 119.300 0.015 0.000 2.505 1204 C HA -0.031 4.527 4.460 0.164 0.000 0.279 1204 C C 2.379 177.387 174.990 0.029 0.000 1.316 1204 C CA -0.205 58.819 59.018 0.011 0.000 1.720 1204 C CB -0.670 27.085 27.740 0.025 0.000 2.050 1204 C HN 0.434 nan 8.230 nan 0.000 0.493 1205 Y N 1.975 122.264 120.300 -0.019 0.000 2.113 1205 Y HA 0.349 4.999 4.550 0.167 0.000 0.269 1205 Y C 1.471 177.354 175.900 -0.029 0.000 1.098 1205 Y CA 2.257 60.338 58.100 -0.032 0.000 1.083 1205 Y CB -0.710 37.744 38.460 -0.010 0.000 0.997 1205 Y HN 0.421 nan 8.280 nan 0.000 0.476 1206 G N -2.686 106.249 108.800 0.225 0.000 2.315 1206 G HA2 -0.226 3.833 3.960 0.164 0.000 0.296 1206 G HA3 -0.226 3.833 3.960 0.164 0.000 0.296 1206 G C -0.101 175.007 174.900 0.346 0.000 1.289 1206 G CA -0.210 44.996 45.100 0.177 0.000 0.996 1206 G HN 0.373 nan 8.290 nan 0.000 0.487 1207 Y N 0.517 120.882 120.300 0.108 0.000 2.224 1207 Y HA 0.035 4.684 4.550 0.165 0.000 0.289 1207 Y C 1.655 177.598 175.900 0.072 0.000 1.146 1207 Y CA 1.266 59.400 58.100 0.055 0.000 1.182 1207 Y CB 0.135 38.523 38.460 -0.120 0.000 0.983 1207 Y HN 0.557 nan 8.280 nan 0.000 0.524 1208 D N 0.896 121.390 120.400 0.157 0.000 2.455 1208 D HA 0.264 5.003 4.640 0.164 0.000 0.241 1208 D C -0.795 175.621 176.300 0.193 0.000 1.138 1208 D CA 0.705 54.819 54.000 0.190 0.000 0.877 1208 D CB 0.716 41.641 40.800 0.209 0.000 1.187 1208 D HN 0.215 nan 8.370 nan 0.000 0.451 1209 L N 1.806 123.106 121.223 0.129 0.000 2.765 1209 L HA 0.238 4.676 4.340 0.164 0.000 0.263 1209 L C 0.832 177.754 176.870 0.087 0.000 1.068 1209 L CA -0.537 54.353 54.840 0.084 0.000 0.903 1209 L CB 1.364 43.436 42.059 0.022 0.000 1.512 1209 L HN 0.289 nan 8.230 nan 0.000 0.404 1210 S N 0.273 116.007 115.700 0.057 0.000 2.383 1210 S HA -0.056 4.512 4.470 0.164 0.000 0.229 1210 S C 0.841 175.499 174.600 0.097 0.000 1.030 1210 S CA 1.628 59.852 58.200 0.039 0.000 1.002 1210 S CB -0.234 62.979 63.200 0.022 0.000 0.829 1210 S HN 0.479 nan 8.310 nan 0.000 0.467 1211 M N -0.260 119.436 119.600 0.160 0.000 1.917 1211 M HA 0.378 4.957 4.480 0.164 0.000 0.208 1211 M C 0.882 177.347 176.300 0.274 0.000 1.215 1211 M CA 0.491 55.991 55.300 0.334 0.000 0.944 1211 M CB 0.555 33.218 32.600 0.105 0.000 1.225 1211 M HN 0.097 nan 8.290 nan 0.000 0.519 1212 A N 0.211 123.157 122.820 0.211 0.000 2.259 1212 A HA 0.184 4.603 4.320 0.164 0.000 0.213 1212 A C 0.785 177.946 177.584 -0.704 0.000 1.209 1212 A CA -0.238 51.766 52.037 -0.054 0.000 0.910 1212 A CB -0.026 19.082 19.000 0.181 0.000 0.946 1212 A HN 0.823 nan 8.150 nan 0.000 0.497 1213 R N 0.172 120.377 120.500 -0.493 0.000 2.747 1213 R HA 0.369 4.807 4.340 0.164 0.000 0.278 1213 R C -2.725 173.259 176.300 -0.526 0.000 1.153 1213 R CA -1.221 54.542 56.100 -0.563 0.000 1.206 1213 R CB -0.829 29.304 30.300 -0.279 0.000 1.161 1213 R HN -0.089 nan 8.270 nan 0.000 0.589 1214 P HA -0.090 nan 4.420 nan 0.000 0.267 1214 P C -0.622 176.647 177.300 -0.052 0.000 1.201 1214 P CA -0.141 62.844 63.100 -0.191 0.000 0.775 1214 P CB 0.371 31.819 31.700 -0.420 0.000 0.854 1215 V N 3.050 123.014 119.914 0.083 0.000 2.557 1215 V HA -0.056 4.162 4.120 0.164 0.000 0.301 1215 V C 0.733 176.852 176.094 0.041 0.000 1.026 1215 V CA 0.822 63.162 62.300 0.066 0.000 1.137 1215 V CB -0.090 31.797 31.823 0.107 0.000 0.917 1215 V HN 0.541 nan 8.190 nan 0.000 0.484 1216 S N 6.164 121.875 115.700 0.018 0.000 2.528 1216 S HA 0.334 4.902 4.470 0.164 0.000 0.277 1216 S C 0.150 174.794 174.600 0.072 0.000 1.297 1216 S CA -0.584 57.647 58.200 0.052 0.000 1.052 1216 S CB 0.338 63.559 63.200 0.034 0.000 0.917 1216 S HN 0.429 nan 8.310 nan 0.000 0.492 1217 I N 2.602 123.259 120.570 0.145 0.000 2.710 1217 I HA 0.169 4.437 4.170 0.164 0.000 0.286 1217 I C 1.516 177.754 176.117 0.202 0.000 1.181 1217 I CA 0.827 62.199 61.300 0.119 0.000 1.430 1217 I CB -0.361 37.636 38.000 -0.005 0.000 1.367 1217 I HN 0.988 nan 8.210 nan 0.000 0.577 1218 G N 4.719 113.577 108.800 0.098 0.000 2.138 1218 G HA2 -0.190 3.868 3.960 0.164 0.000 0.193 1218 G HA3 -0.190 3.868 3.960 0.164 0.000 0.193 1218 G C 0.059 174.968 174.900 0.016 0.000 0.998 1218 G CA -0.093 45.060 45.100 0.087 0.000 0.668 1218 G HN 0.668 nan 8.290 nan 0.000 0.516 1219 E N 0.419 120.603 120.200 -0.027 0.000 2.175 1219 E HA 0.682 5.130 4.350 0.164 0.000 0.278 1219 E C 0.834 177.380 176.600 -0.090 0.000 0.969 1219 E CA -0.276 56.086 56.400 -0.064 0.000 0.796 1219 E CB 1.025 30.665 29.700 -0.100 0.000 1.104 1219 E HN 0.719 nan 8.360 nan 0.000 0.395 1220 A N 5.015 127.795 122.820 -0.068 0.000 3.076 1220 A HA 0.059 4.477 4.320 0.164 0.000 0.269 1220 A C 1.098 178.640 177.584 -0.070 0.000 1.916 1220 A CA -0.082 51.919 52.037 -0.059 0.000 1.492 1220 A CB -0.672 18.304 19.000 -0.040 0.000 1.000 1220 A HN 0.602 nan 8.150 nan 0.000 0.615 1221 V N 1.875 121.718 119.914 -0.118 0.000 2.332 1221 V HA -0.256 3.963 4.120 0.164 0.000 0.248 1221 V C 2.869 178.968 176.094 0.008 0.000 1.055 1221 V CA 2.418 64.641 62.300 -0.128 0.000 1.038 1221 V CB -1.163 30.477 31.823 -0.304 0.000 0.651 1221 V HN 0.801 nan 8.190 nan 0.000 0.450 1222 G N 0.635 109.446 108.800 0.018 0.000 2.599 1222 G HA2 -0.304 3.755 3.960 0.164 0.000 0.219 1222 G HA3 -0.304 3.755 3.960 0.164 0.000 0.219 1222 G C 1.405 176.341 174.900 0.060 0.000 1.193 1222 G CA 1.487 46.623 45.100 0.060 0.000 0.778 1222 G HN 0.365 nan 8.290 nan 0.000 0.589 1223 I N 0.693 121.282 120.570 0.031 0.000 2.039 1223 I HA -0.173 4.096 4.170 0.164 0.000 0.233 1223 I C 3.052 179.173 176.117 0.005 0.000 1.040 1223 I CA 0.865 62.178 61.300 0.022 0.000 1.308 1223 I CB -1.566 36.437 38.000 0.006 0.000 1.035 1223 I HN 0.076 nan 8.210 nan 0.000 0.392 1224 V N 1.431 121.339 119.914 -0.011 0.000 2.311 1224 V HA -0.388 3.830 4.120 0.164 0.000 0.259 1224 V C 2.746 178.760 176.094 -0.134 0.000 1.086 1224 V CA 2.438 64.712 62.300 -0.044 0.000 1.078 1224 V CB -1.251 30.563 31.823 -0.015 0.000 0.668 1224 V HN 0.605 nan 8.190 nan 0.000 0.452 1225 A N -0.913 121.888 122.820 -0.032 0.000 1.897 1225 A HA 0.064 4.483 4.320 0.164 0.000 0.215 1225 A C 2.398 179.964 177.584 -0.029 0.000 1.181 1225 A CA 1.740 53.752 52.037 -0.041 0.000 0.620 1225 A CB -0.677 18.491 19.000 0.280 0.000 0.821 1225 A HN 0.622 nan 8.150 nan 0.000 0.443 1226 A N -0.467 122.365 122.820 0.020 0.000 1.902 1226 A HA -0.217 4.202 4.320 0.164 0.000 0.217 1226 A C 2.146 179.720 177.584 -0.016 0.000 1.181 1226 A CA 1.700 53.749 52.037 0.019 0.000 0.623 1226 A CB -0.572 18.445 19.000 0.027 0.000 0.818 1226 A HN 0.651 nan 8.150 nan 0.000 0.443 1227 Q N 0.100 119.884 119.800 -0.027 0.000 1.967 1227 Q HA -0.157 4.282 4.340 0.164 0.000 0.202 1227 Q C 2.475 178.462 176.000 -0.021 0.000 0.985 1227 Q CA 2.084 57.879 55.803 -0.014 0.000 0.839 1227 Q CB -0.387 28.354 28.738 0.006 0.000 0.906 1227 Q HN 0.824 nan 8.270 nan 0.000 0.423 1228 S N 0.594 116.239 115.700 -0.091 0.000 2.441 1228 S HA -0.160 4.408 4.470 0.164 0.000 0.242 1228 S C 1.786 176.372 174.600 -0.023 0.000 1.018 1228 S CA 1.187 59.332 58.200 -0.091 0.000 0.988 1228 S CB -0.445 62.561 63.200 -0.323 0.000 0.778 1228 S HN 0.307 nan 8.310 nan 0.000 0.498 1229 I N 1.127 121.681 120.570 -0.025 0.000 3.035 1229 I HA 0.158 4.426 4.170 0.164 0.000 0.271 1229 I C 2.615 178.763 176.117 0.052 0.000 1.190 1229 I CA 0.593 61.893 61.300 -0.001 0.000 1.472 1229 I CB -0.573 37.423 38.000 -0.006 0.000 1.116 1229 I HN 0.422 nan 8.210 nan 0.000 0.443 1230 G N 0.798 109.607 108.800 0.015 0.000 2.404 1230 G HA2 -0.205 3.853 3.960 0.164 0.000 0.213 1230 G HA3 -0.205 3.853 3.960 0.164 0.000 0.213 1230 G C 1.425 176.342 174.900 0.029 0.000 1.189 1230 G CA 0.567 45.672 45.100 0.008 0.000 0.796 1230 G HN 0.407 nan 8.290 nan 0.000 0.532 1231 E N 1.337 121.547 120.200 0.018 0.000 2.055 1231 E HA -0.206 4.242 4.350 0.164 0.000 0.209 1231 E C -0.060 176.552 176.600 0.020 0.000 1.036 1231 E CA 1.901 58.296 56.400 -0.008 0.000 0.849 1231 E CB -0.869 28.808 29.700 -0.038 0.000 0.767 1231 E HN 0.300 nan 8.360 nan 0.000 0.461 1232 P HA -0.151 nan 4.420 nan 0.000 0.217 1232 P C 1.302 178.598 177.300 -0.007 0.000 1.148 1232 P CA 2.048 65.201 63.100 0.089 0.000 0.834 1232 P CB -0.478 31.400 31.700 0.296 0.000 0.783 1233 G N -1.091 107.725 108.800 0.026 0.000 2.499 1233 G HA2 -0.268 3.791 3.960 0.164 0.000 0.221 1233 G HA3 -0.268 3.791 3.960 0.164 0.000 0.221 1233 G C 1.279 176.149 174.900 -0.051 0.000 1.109 1233 G CA 1.391 46.467 45.100 -0.040 0.000 0.749 1233 G HN 0.224 nan 8.290 nan 0.000 0.568 1234 T N 0.266 114.800 114.554 -0.033 0.000 2.962 1234 T HA -0.049 4.399 4.350 0.164 0.000 0.270 1234 T C 1.878 176.552 174.700 -0.043 0.000 1.088 1234 T CA 1.288 63.370 62.100 -0.031 0.000 1.127 1234 T CB -0.041 68.811 68.868 -0.027 0.000 0.883 1234 T HN 0.374 nan 8.240 nan 0.000 0.493 1235 Q N 0.359 120.120 119.800 -0.065 0.000 2.188 1235 Q HA 0.359 4.797 4.340 0.164 0.000 0.212 1235 Q C 0.134 176.077 176.000 -0.096 0.000 0.846 1235 Q CA 0.046 55.809 55.803 -0.067 0.000 0.989 1235 Q CB 0.152 28.856 28.738 -0.057 0.000 1.114 1235 Q HN 0.435 nan 8.270 nan 0.000 0.488 1236 L N 1.174 122.327 121.223 -0.116 0.000 2.956 1236 L HA 0.365 4.803 4.340 0.164 0.000 0.232 1236 L C 0.024 176.850 176.870 -0.074 0.000 1.291 1236 L CA -0.608 54.153 54.840 -0.132 0.000 1.122 1236 L CB -1.257 40.677 42.059 -0.208 0.000 1.461 1236 L HN 0.192 nan 8.230 nan 0.000 0.470 1252 I N 0.954 121.532 120.570 0.013 0.000 2.692 1252 I HA 0.290 4.558 4.170 0.164 0.000 0.284 1252 I C 0.474 176.601 176.117 0.016 0.000 1.159 1252 I CA 0.140 61.450 61.300 0.017 0.000 1.423 1252 I CB 0.348 38.360 38.000 0.020 0.000 1.380 1252 I HN 0.318 nan 8.210 nan 0.000 0.580 1253 T N 2.534 117.100 114.554 0.020 0.000 2.863 1253 T HA 0.731 5.179 4.350 0.164 0.000 0.285 1253 T C -0.550 174.163 174.700 0.023 0.000 1.009 1253 T CA -0.723 61.388 62.100 0.018 0.000 0.989 1253 T CB 2.416 71.295 68.868 0.018 0.000 1.004 1253 T HN 0.678 nan 8.240 nan 0.000 0.455 1254 Q N 1.875 121.685 119.800 0.017 0.000 2.965 1254 Q HA 0.885 5.324 4.340 0.164 0.000 0.379 1254 Q C 0.654 176.658 176.000 0.006 0.000 0.727 1254 Q CA -0.223 55.591 55.803 0.018 0.000 0.883 1254 Q CB -0.246 28.502 28.738 0.016 0.000 1.233 1254 Q HN 1.744 nan 8.270 nan 0.000 0.464 1255 G N -0.242 108.554 108.800 -0.007 0.000 2.542 1255 G HA2 -0.218 3.841 3.960 0.164 0.000 0.235 1255 G HA3 -0.218 3.841 3.960 0.164 0.000 0.235 1255 G C 0.322 175.205 174.900 -0.027 0.000 1.286 1255 G CA 0.012 45.091 45.100 -0.035 0.000 0.904 1255 G HN 0.897 nan 8.290 nan 0.000 0.577 1256 L N 2.375 123.576 121.223 -0.037 0.000 1.971 1256 L HA 0.036 4.474 4.340 0.164 0.000 0.215 1256 L C 0.560 177.433 176.870 0.005 0.000 1.072 1256 L CA 3.638 58.464 54.840 -0.024 0.000 0.758 1256 L CB -1.569 40.480 42.059 -0.018 0.000 0.889 1256 L HN 0.481 nan 8.230 nan 0.000 0.433 1257 P HA -0.224 nan 4.420 nan 0.000 0.218 1257 P C 1.546 178.870 177.300 0.041 0.000 1.152 1257 P CA 1.617 64.730 63.100 0.021 0.000 0.857 1257 P CB -0.041 31.671 31.700 0.020 0.000 0.787 1258 R N -0.525 120.004 120.500 0.048 0.000 2.115 1258 R HA -0.042 4.396 4.340 0.164 0.000 0.226 1258 R C 1.812 178.186 176.300 0.122 0.000 1.100 1258 R CA 1.077 57.222 56.100 0.074 0.000 0.980 1258 R CB -1.173 29.165 30.300 0.065 0.000 0.875 1258 R HN 0.021 nan 8.270 nan 0.000 0.445 1259 V N 0.551 120.542 119.914 0.127 0.000 2.453 1259 V HA -0.167 4.051 4.120 0.164 0.000 0.247 1259 V C 2.058 178.274 176.094 0.202 0.000 1.048 1259 V CA 1.713 64.140 62.300 0.211 0.000 1.049 1259 V CB -0.409 31.505 31.823 0.152 0.000 0.672 1259 V HN 0.263 nan 8.190 nan 0.000 0.457 1260 I N -0.219 120.400 120.570 0.082 0.000 2.286 1260 I HA -0.147 4.121 4.170 0.164 0.000 0.245 1260 I C 2.490 178.666 176.117 0.098 0.000 1.104 1260 I CA 1.429 62.756 61.300 0.045 0.000 1.397 1260 I CB -0.487 37.496 38.000 -0.027 0.000 1.072 1260 I HN 0.261 nan 8.210 nan 0.000 0.417 1261 E N 0.847 121.099 120.200 0.088 0.000 2.077 1261 E HA -0.202 4.247 4.350 0.164 0.000 0.193 1261 E C 2.168 178.827 176.600 0.098 0.000 0.989 1261 E CA 1.087 57.533 56.400 0.075 0.000 0.800 1261 E CB 0.078 29.814 29.700 0.060 0.000 0.746 1261 E HN 0.243 nan 8.360 nan 0.000 0.452 1262 L N -0.388 120.928 121.223 0.155 0.000 2.044 1262 L HA -0.109 4.329 4.340 0.164 0.000 0.205 1262 L C 1.924 178.866 176.870 0.121 0.000 1.075 1262 L CA 1.545 56.474 54.840 0.149 0.000 0.747 1262 L CB -0.661 41.506 42.059 0.180 0.000 0.903 1262 L HN 0.139 nan 8.230 nan 0.000 0.435 1263 F N -0.509 119.461 119.950 0.033 0.000 2.325 1263 F HA -0.053 4.572 4.527 0.163 0.000 0.299 1263 F C 1.113 176.924 175.800 0.019 0.000 1.090 1263 F CA 0.390 58.407 58.000 0.027 0.000 1.392 1263 F CB -0.116 38.895 39.000 0.018 0.000 1.053 1263 F HN 0.008 nan 8.300 nan 0.000 0.521 1264 E N 0.396 120.703 120.200 0.178 0.000 2.055 1264 E HA 0.458 4.906 4.350 0.164 0.000 0.274 1264 E C -0.299 176.322 176.600 0.036 0.000 0.949 1264 E CA -0.391 56.066 56.400 0.096 0.000 0.775 1264 E CB 0.767 30.512 29.700 0.075 0.000 1.097 1264 E HN 0.122 nan 8.360 nan 0.000 0.404 1265 A N 5.607 128.430 122.820 0.004 0.000 2.515 1265 A HA 0.046 4.464 4.320 0.164 0.000 0.276 1265 A C -0.012 177.487 177.584 -0.142 0.000 1.104 1265 A CA 0.704 52.663 52.037 -0.130 0.000 0.822 1265 A CB -0.227 18.707 19.000 -0.108 0.000 1.016 1265 A HN 0.587 nan 8.150 nan 0.000 0.530 1266 R N 0.733 121.149 120.500 -0.139 0.000 2.869 1266 R HA 0.525 4.963 4.340 0.164 0.000 0.263 1266 R C -0.259 175.998 176.300 -0.073 0.000 1.066 1266 R CA -1.057 55.004 56.100 -0.065 0.000 0.960 1266 R CB 1.613 31.913 30.300 -0.001 0.000 1.221 1266 R HN 0.671 nan 8.270 nan 0.000 0.474 1267 R N 1.940 122.431 120.500 -0.016 0.000 2.565 1267 R HA 0.263 4.702 4.340 0.164 0.000 0.286 1267 R C -2.215 174.085 176.300 0.001 0.000 1.256 1267 R CA -1.450 54.646 56.100 -0.008 0.000 1.238 1267 R CB 0.161 30.474 30.300 0.021 0.000 1.153 1267 R HN 0.288 nan 8.270 nan 0.000 0.553 1268 P HA -0.097 nan 4.420 nan 0.000 0.270 1268 P C 0.199 177.506 177.300 0.012 0.000 1.216 1268 P CA -0.270 62.838 63.100 0.013 0.000 0.788 1268 P CB 0.696 32.409 31.700 0.021 0.000 0.883 1269 K N 1.021 121.431 120.400 0.016 0.000 1.969 1269 K HA -0.127 4.292 4.320 0.164 0.000 0.223 1269 K C 0.910 177.517 176.600 0.011 0.000 1.048 1269 K CA 1.866 58.161 56.287 0.014 0.000 0.983 1269 K CB -1.374 31.134 32.500 0.014 0.000 0.738 1269 K HN 0.570 nan 8.250 nan 0.000 0.446 1270 A N 3.756 126.584 122.820 0.012 0.000 2.666 1270 A HA 0.080 4.498 4.320 0.164 0.000 0.301 1270 A C 0.085 177.673 177.584 0.006 0.000 1.470 1270 A CA -0.265 51.777 52.037 0.009 0.000 1.159 1270 A CB -0.801 18.206 19.000 0.012 0.000 1.116 1270 A HN 0.326 nan 8.150 nan 0.000 0.548 1271 K N 1.281 121.681 120.400 -0.001 0.000 2.237 1271 K HA 0.625 5.044 4.320 0.164 0.000 0.270 1271 K C -0.222 176.365 176.600 -0.022 0.000 1.015 1271 K CA 0.014 56.293 56.287 -0.012 0.000 0.949 1271 K CB 1.073 33.565 32.500 -0.014 0.000 0.976 1271 K HN 0.459 nan 8.250 nan 0.000 0.472 1272 A N 2.604 125.401 122.820 -0.039 0.000 2.332 1272 A HA 0.318 4.736 4.320 0.164 0.000 0.300 1272 A C -0.341 177.182 177.584 -0.101 0.000 1.153 1272 A CA -0.988 51.015 52.037 -0.056 0.000 0.764 1272 A CB 1.002 19.979 19.000 -0.039 0.000 1.174 1272 A HN 0.769 nan 8.150 nan 0.000 0.467 1273 V N 2.293 122.128 119.914 -0.131 0.000 2.434 1273 V HA 0.368 4.587 4.120 0.164 0.000 0.281 1273 V C 0.216 176.098 176.094 -0.352 0.000 1.005 1273 V CA -0.119 62.048 62.300 -0.222 0.000 1.089 1273 V CB -1.460 30.223 31.823 -0.232 0.000 0.978 1273 V HN 0.796 nan 8.190 nan 0.000 0.474 1274 I N 3.636 124.025 120.570 -0.302 0.000 2.662 1274 I HA 0.597 4.865 4.170 0.164 0.000 0.291 1274 I C 0.771 176.620 176.117 -0.448 0.000 1.046 1274 I CA -0.222 60.902 61.300 -0.293 0.000 1.361 1274 I CB 1.042 38.932 38.000 -0.182 0.000 1.429 1274 I HN 0.763 nan 8.210 nan 0.000 0.558 1275 S N 2.336 117.823 115.700 -0.355 0.000 2.416 1275 S HA 0.317 4.886 4.470 0.164 0.000 0.287 1275 S C 0.488 175.051 174.600 -0.062 0.000 1.139 1275 S CA -0.512 57.527 58.200 -0.268 0.000 1.058 1275 S CB 0.524 63.618 63.200 -0.176 0.000 0.967 1275 S HN 0.774 nan 8.310 nan 0.000 0.495 1276 E N 1.509 121.763 120.200 0.090 0.000 2.274 1276 E HA 0.061 4.510 4.350 0.164 0.000 0.194 1276 E C -0.319 176.269 176.600 -0.020 0.000 0.996 1276 E CA 0.671 57.097 56.400 0.044 0.000 0.840 1276 E CB 0.061 29.811 29.700 0.082 0.000 0.772 1276 E HN 0.620 nan 8.360 nan 0.000 0.491 1277 I N 1.629 122.164 120.570 -0.058 0.000 2.530 1277 I HA 0.049 4.318 4.170 0.164 0.000 0.297 1277 I C -0.785 175.246 176.117 -0.144 0.000 1.011 1277 I CA -1.202 60.008 61.300 -0.149 0.000 1.107 1277 I CB 1.664 39.443 38.000 -0.367 0.000 1.285 1277 I HN -0.139 nan 8.210 nan 0.000 0.436 1278 D N 5.127 125.456 120.400 -0.118 0.000 2.456 1278 D HA 0.543 5.282 4.640 0.164 0.000 0.219 1278 D C 0.199 176.305 176.300 -0.322 0.000 1.126 1278 D CA -0.335 53.554 54.000 -0.185 0.000 0.890 1278 D CB 1.324 42.134 40.800 0.015 0.000 1.025 1278 D HN 0.646 nan 8.370 nan 0.000 0.511 1279 G N 0.637 109.094 108.800 -0.571 0.000 3.198 1279 G HA2 0.563 4.621 3.960 0.164 0.000 0.166 1279 G HA3 0.563 4.621 3.960 0.164 0.000 0.166 1279 G C -0.511 174.005 174.900 -0.639 0.000 1.134 1279 G CA -0.014 44.798 45.100 -0.481 0.000 0.941 1279 G HN 0.513 nan 8.290 nan 0.000 0.639 1280 V N -1.884 117.898 119.914 -0.220 0.000 3.166 1280 V HA 0.896 5.114 4.120 0.164 0.000 0.317 1280 V C -0.333 175.730 176.094 -0.051 0.000 1.136 1280 V CA -0.975 61.268 62.300 -0.095 0.000 1.035 1280 V CB 1.496 33.340 31.823 0.034 0.000 1.110 1280 V HN 0.556 nan 8.190 nan 0.000 0.450 1281 V N 1.489 121.402 119.914 -0.002 0.000 2.630 1281 V HA 0.879 5.097 4.120 0.164 0.000 0.305 1281 V C -0.112 176.015 176.094 0.054 0.000 1.046 1281 V CA -0.511 61.807 62.300 0.030 0.000 0.934 1281 V CB 1.708 33.547 31.823 0.025 0.000 1.003 1281 V HN 1.066 nan 8.190 nan 0.000 0.451 1282 R N 2.694 123.246 120.500 0.086 0.000 2.561 1282 R HA 0.669 5.107 4.340 0.164 0.000 0.266 1282 R C -1.674 174.684 176.300 0.098 0.000 1.091 1282 R CA -0.380 55.763 56.100 0.072 0.000 0.927 1282 R CB 1.278 31.607 30.300 0.049 0.000 1.240 1282 R HN 0.679 nan 8.270 nan 0.000 0.449 1283 I N 0.997 121.602 120.570 0.059 0.000 3.023 1283 I HA 0.594 4.862 4.170 0.164 0.000 0.312 1283 I C -0.484 175.641 176.117 0.014 0.000 1.056 1283 I CA -1.155 60.184 61.300 0.065 0.000 1.033 1283 I CB 2.165 40.200 38.000 0.058 0.000 1.233 1283 I HN 0.505 nan 8.210 nan 0.000 0.462 1284 E N 2.589 122.801 120.200 0.019 0.000 2.279 1284 E HA 0.251 4.699 4.350 0.164 0.000 0.252 1284 E C -1.251 175.357 176.600 0.013 0.000 0.894 1284 E CA -0.489 55.904 56.400 -0.012 0.000 0.785 1284 E CB 0.894 30.565 29.700 -0.049 0.000 1.237 1284 E HN 0.289 nan 8.360 nan 0.000 0.418 1285 E N 2.802 123.006 120.200 0.008 0.000 2.383 1285 E HA 0.284 4.732 4.350 0.164 0.000 0.264 1285 E C 0.151 176.758 176.600 0.011 0.000 1.050 1285 E CA 0.159 56.567 56.400 0.013 0.000 0.896 1285 E CB 0.661 30.367 29.700 0.010 0.000 0.982 1285 E HN 0.799 nan 8.360 nan 0.000 0.424 1286 T N 1.998 116.561 114.554 0.015 0.000 0.541 1286 T HA -0.240 4.209 4.350 0.164 0.000 0.774 1286 T C -0.130 174.578 174.700 0.015 0.000 0.992 1286 T CA 0.724 62.833 62.100 0.014 0.000 4.077 1286 T CB -0.416 68.457 68.868 0.009 0.000 2.303 1286 T HN 0.683 nan 8.240 nan 0.000 0.398 1287 E N 0.027 120.235 120.200 0.012 0.000 2.434 1287 E HA -0.137 4.312 4.350 0.164 0.000 0.296 1287 E C 0.556 177.165 176.600 0.016 0.000 1.020 1287 E CA 1.293 57.701 56.400 0.012 0.000 0.869 1287 E CB -1.933 27.773 29.700 0.011 0.000 1.351 1287 E HN 0.927 nan 8.360 nan 0.000 0.402 1288 E N -0.651 119.558 120.200 0.015 0.000 3.562 1288 E HA -0.310 4.138 4.350 0.164 0.000 0.298 1288 E C -0.537 176.076 176.600 0.021 0.000 0.830 1288 E CA 2.107 58.517 56.400 0.016 0.000 1.013 1288 E CB -0.146 29.562 29.700 0.014 0.000 1.510 1288 E HN 0.452 nan 8.360 nan 0.000 0.463 1289 K N -0.787 119.629 120.400 0.027 0.000 2.600 1289 K HA 0.371 4.790 4.320 0.164 0.000 0.262 1289 K C -1.616 175.011 176.600 0.046 0.000 0.935 1289 K CA -0.663 55.647 56.287 0.037 0.000 0.866 1289 K CB 1.189 33.714 32.500 0.041 0.000 1.354 1289 K HN -0.085 nan 8.250 nan 0.000 0.419 1290 L N 1.066 122.322 121.223 0.055 0.000 2.313 1290 L HA 0.673 5.112 4.340 0.164 0.000 0.268 1290 L C -0.560 176.375 176.870 0.109 0.000 1.010 1290 L CA -0.320 54.561 54.840 0.067 0.000 0.814 1290 L CB 2.097 44.188 42.059 0.054 0.000 1.304 1290 L HN 0.758 nan 8.230 nan 0.000 0.441 1291 S N -0.543 115.247 115.700 0.150 0.000 2.575 1291 S HA 0.768 5.337 4.470 0.164 0.000 0.278 1291 S C -1.069 173.733 174.600 0.337 0.000 1.139 1291 S CA -0.839 57.526 58.200 0.276 0.000 0.954 1291 S CB 1.360 64.837 63.200 0.462 0.000 1.054 1291 S HN 0.214 nan 8.310 nan 0.000 0.483 1292 V N 2.833 122.919 119.914 0.287 0.000 2.370 1292 V HA 0.578 4.797 4.120 0.164 0.000 0.279 1292 V C -1.205 175.055 176.094 0.277 0.000 1.029 1292 V CA -0.445 62.002 62.300 0.245 0.000 0.870 1292 V CB 0.175 32.066 31.823 0.114 0.000 0.984 1292 V HN 0.837 nan 8.190 nan 0.000 0.451 1293 F N 3.143 123.123 119.950 0.050 0.000 2.460 1293 F HA 0.507 5.132 4.527 0.164 0.000 0.341 1293 F C 0.067 175.867 175.800 -0.001 0.000 1.130 1293 F CA -0.844 57.169 58.000 0.021 0.000 0.962 1293 F CB 2.096 41.086 39.000 -0.016 0.000 1.171 1293 F HN 0.223 nan 8.300 nan 0.000 0.436 1294 V N 4.921 124.876 119.914 0.069 0.000 2.356 1294 V HA 0.290 4.509 4.120 0.164 0.000 0.258 1294 V C -0.084 175.980 176.094 -0.050 0.000 1.065 1294 V CA -0.310 61.981 62.300 -0.015 0.000 0.935 1294 V CB 0.078 31.870 31.823 -0.052 0.000 1.061 1294 V HN 0.667 nan 8.190 nan 0.000 0.484 1295 E N 3.862 124.063 120.200 0.002 0.000 2.343 1295 E HA 0.766 5.215 4.350 0.164 0.000 0.270 1295 E C -0.764 175.856 176.600 0.033 0.000 0.895 1295 E CA -0.686 55.727 56.400 0.022 0.000 0.767 1295 E CB 2.503 32.256 29.700 0.089 0.000 1.248 1295 E HN 0.318 nan 8.360 nan 0.000 0.440 1296 S N 1.154 116.906 115.700 0.086 0.000 5.444 1296 S HA -0.018 4.550 4.470 0.164 0.000 0.141 1296 S C 1.231 175.909 174.600 0.131 0.000 1.258 1296 S CA 0.180 58.442 58.200 0.103 0.000 1.126 1296 S CB -0.382 62.879 63.200 0.101 0.000 2.053 1296 S HN 0.659 nan 8.310 nan 0.000 0.692 1297 E N 1.293 121.595 120.200 0.169 0.000 2.038 1297 E HA 0.018 4.467 4.350 0.164 0.000 0.195 1297 E C 1.340 178.000 176.600 0.100 0.000 1.000 1297 E CA 1.720 58.194 56.400 0.123 0.000 0.803 1297 E CB -0.273 29.493 29.700 0.110 0.000 0.750 1297 E HN 0.595 nan 8.360 nan 0.000 0.448 1298 G N 0.499 109.402 108.800 0.171 0.000 3.163 1298 G HA2 0.165 4.224 3.960 0.164 0.000 0.152 1298 G HA3 0.165 4.224 3.960 0.164 0.000 0.152 1298 G C 0.129 175.170 174.900 0.234 0.000 1.379 1298 G CA -0.021 45.145 45.100 0.110 0.000 0.789 1298 G HN 0.334 nan 8.290 nan 0.000 0.960 1299 F N 1.460 121.416 119.950 0.010 0.000 2.593 1299 F HA 0.811 5.436 4.527 0.164 0.000 0.320 1299 F C -0.313 175.498 175.800 0.019 0.000 1.060 1299 F CA -1.242 56.764 58.000 0.010 0.000 0.940 1299 F CB 2.274 41.270 39.000 -0.007 0.000 1.268 1299 F HN 0.048 nan 8.300 nan 0.000 0.475 1300 S N 1.438 117.174 115.700 0.061 0.000 2.561 1300 S HA 0.383 4.952 4.470 0.164 0.000 0.303 1300 S C -1.068 173.394 174.600 -0.229 0.000 1.110 1300 S CA -0.967 57.203 58.200 -0.049 0.000 1.034 1300 S CB 1.767 65.110 63.200 0.238 0.000 1.010 1300 S HN 0.692 nan 8.310 nan 0.000 0.482 1301 K N 2.438 122.576 120.400 -0.438 0.000 2.220 1301 K HA 0.210 4.629 4.320 0.164 0.000 0.283 1301 K C -0.005 175.935 176.600 -1.101 0.000 1.098 1301 K CA -0.371 55.517 56.287 -0.664 0.000 0.928 1301 K CB 0.003 32.129 32.500 -0.624 0.000 1.214 1301 K HN 0.782 nan 8.250 nan 0.000 0.442 1302 E N 3.700 123.284 120.200 -1.027 0.000 2.585 1302 E HA -0.095 4.353 4.350 0.164 0.000 0.252 1302 E C -1.358 174.560 176.600 -1.136 0.000 0.981 1302 E CA 0.755 56.337 56.400 -1.365 0.000 0.943 1302 E CB 0.091 29.426 29.700 -0.608 0.000 0.923 1302 E HN 0.506 nan 8.360 nan 0.000 0.486 1303 Y N 3.958 123.840 120.300 -0.697 0.000 2.326 1303 Y HA 0.276 4.925 4.550 0.164 0.000 0.331 1303 Y C -0.156 175.640 175.900 -0.173 0.000 0.962 1303 Y CA -1.171 56.737 58.100 -0.321 0.000 1.167 1303 Y CB 1.690 39.996 38.460 -0.256 0.000 1.148 1303 Y HN 0.320 nan 8.280 nan 0.000 0.463 1304 K N 4.882 125.311 120.400 0.049 0.000 2.250 1304 K HA 0.277 4.696 4.320 0.164 0.000 0.285 1304 K C -0.981 175.655 176.600 0.061 0.000 1.097 1304 K CA -0.339 55.981 56.287 0.056 0.000 0.913 1304 K CB 0.743 33.264 32.500 0.035 0.000 1.179 1304 K HN 0.415 nan 8.250 nan 0.000 0.462 1305 L N 5.688 126.950 121.223 0.065 0.000 2.272 1305 L HA 0.303 4.741 4.340 0.164 0.000 0.284 1305 L C -2.225 174.668 176.870 0.039 0.000 1.045 1305 L CA -2.070 52.797 54.840 0.044 0.000 0.842 1305 L CB 0.631 42.716 42.059 0.043 0.000 1.224 1305 L HN 0.287 nan 8.230 nan 0.000 0.430 1306 P HA -0.109 nan 4.420 nan 0.000 0.267 1306 P C 0.590 177.904 177.300 0.023 0.000 1.175 1306 P CA 0.317 63.432 63.100 0.025 0.000 0.763 1306 P CB 0.470 32.181 31.700 0.018 0.000 0.795 1307 K N 1.761 122.174 120.400 0.022 0.000 2.520 1307 K HA -0.160 4.258 4.320 0.164 0.000 0.197 1307 K C 0.550 177.160 176.600 0.016 0.000 1.043 1307 K CA 1.589 57.888 56.287 0.020 0.000 0.944 1307 K CB -0.253 32.257 32.500 0.017 0.000 0.770 1307 K HN 0.478 nan 8.250 nan 0.000 0.480 1308 E N 0.421 120.629 120.200 0.014 0.000 2.624 1308 E HA 0.219 4.667 4.350 0.164 0.000 0.210 1308 E C -0.582 176.024 176.600 0.011 0.000 0.997 1308 E CA -0.485 55.922 56.400 0.011 0.000 0.999 1308 E CB 1.038 30.744 29.700 0.009 0.000 1.040 1308 E HN 0.411 nan 8.360 nan 0.000 0.469 1309 A N 1.028 123.856 122.820 0.013 0.000 2.269 1309 A HA 0.638 5.056 4.320 0.164 0.000 0.319 1309 A C -0.135 177.455 177.584 0.010 0.000 1.110 1309 A CA -0.620 51.423 52.037 0.010 0.000 0.847 1309 A CB 0.764 19.770 19.000 0.010 0.000 1.161 1309 A HN 0.013 nan 8.150 nan 0.000 0.497 1310 R N 1.228 121.732 120.500 0.007 0.000 2.358 1310 R HA 0.365 4.803 4.340 0.164 0.000 0.309 1310 R C -1.283 175.020 176.300 0.005 0.000 1.026 1310 R CA -0.256 55.849 56.100 0.008 0.000 0.909 1310 R CB 0.309 30.614 30.300 0.008 0.000 1.153 1310 R HN 0.698 nan 8.270 nan 0.000 0.515 1311 L N 0.405 121.632 121.223 0.007 0.000 2.309 1311 L HA 0.577 5.015 4.340 0.164 0.000 0.282 1311 L C 0.757 177.632 176.870 0.008 0.000 1.036 1311 L CA -0.613 54.229 54.840 0.003 0.000 0.806 1311 L CB 1.234 43.298 42.059 0.009 0.000 1.220 1311 L HN 0.380 nan 8.230 nan 0.000 0.429 1312 L N 2.725 123.951 121.223 0.004 0.000 2.858 1312 L HA 0.314 4.752 4.340 0.164 0.000 0.251 1312 L C 0.265 177.142 176.870 0.012 0.000 1.149 1312 L CA -0.029 54.817 54.840 0.010 0.000 0.955 1312 L CB 1.519 43.585 42.059 0.011 0.000 1.289 1312 L HN 0.561 nan 8.230 nan 0.000 0.542 1313 V N 2.273 122.192 119.914 0.008 0.000 2.509 1313 V HA 0.285 4.503 4.120 0.164 0.000 0.284 1313 V C -0.065 176.041 176.094 0.021 0.000 1.047 1313 V CA -0.495 61.813 62.300 0.012 0.000 0.952 1313 V CB 1.315 33.138 31.823 0.000 0.000 0.988 1313 V HN 0.184 nan 8.190 nan 0.000 0.469 1314 K N 3.578 123.994 120.400 0.026 0.000 2.245 1314 K HA 0.491 4.909 4.320 0.164 0.000 0.234 1314 K C -0.759 175.861 176.600 0.035 0.000 1.021 1314 K CA -0.770 55.535 56.287 0.030 0.000 0.898 1314 K CB 0.899 33.415 32.500 0.026 0.000 1.163 1314 K HN 0.594 nan 8.250 nan 0.000 0.459 1315 D N 0.274 120.694 120.400 0.034 0.000 2.383 1315 D HA 0.257 4.996 4.640 0.164 0.000 0.275 1315 D C 0.756 177.075 176.300 0.032 0.000 1.344 1315 D CA 1.453 55.473 54.000 0.033 0.000 0.984 1315 D CB 0.072 40.887 40.800 0.024 0.000 1.104 1315 D HN 0.846 nan 8.370 nan 0.000 0.524 1316 G N 2.401 111.223 108.800 0.037 0.000 3.154 1316 G HA2 -0.169 3.890 3.960 0.164 0.000 0.114 1316 G HA3 -0.169 3.890 3.960 0.164 0.000 0.114 1316 G C -0.357 174.574 174.900 0.053 0.000 2.421 1316 G CA -0.590 44.534 45.100 0.040 0.000 1.271 1316 G HN 0.491 nan 8.290 nan 0.000 0.371 1317 D N 0.030 120.466 120.400 0.059 0.000 2.348 1317 D HA 0.490 5.229 4.640 0.164 0.000 0.249 1317 D C -0.052 176.313 176.300 0.107 0.000 1.110 1317 D CA -0.490 53.564 54.000 0.091 0.000 0.967 1317 D CB 1.014 41.867 40.800 0.089 0.000 1.139 1317 D HN 0.123 nan 8.370 nan 0.000 0.466 1318 Y N 0.694 121.005 120.300 0.020 0.000 2.861 1318 Y HA 0.053 4.701 4.550 0.164 0.000 0.344 1318 Y C 0.042 175.950 175.900 0.014 0.000 1.272 1318 Y CA 0.614 58.725 58.100 0.019 0.000 1.502 1318 Y CB 0.369 38.839 38.460 0.017 0.000 1.333 1318 Y HN 0.064 nan 8.280 nan 0.000 0.634 1319 V N 2.600 122.284 119.914 -0.384 0.000 2.624 1319 V HA 0.378 4.597 4.120 0.164 0.000 0.294 1319 V C -0.692 175.261 176.094 -0.235 0.000 1.077 1319 V CA -1.243 60.960 62.300 -0.162 0.000 0.905 1319 V CB 1.122 32.861 31.823 -0.141 0.000 1.025 1319 V HN 0.772 nan 8.190 nan 0.000 0.440 1320 E N 2.912 123.165 120.200 0.088 0.000 2.409 1320 E HA 0.625 5.073 4.350 0.164 0.000 0.257 1320 E C 0.835 177.444 176.600 0.015 0.000 1.150 1320 E CA 0.492 56.976 56.400 0.140 0.000 0.942 1320 E CB 1.078 30.893 29.700 0.193 0.000 0.979 1320 E HN 1.231 nan 8.360 nan 0.000 0.447 1321 A N 1.417 124.251 122.820 0.023 0.000 2.511 1321 A HA 0.406 4.825 4.320 0.164 0.000 0.242 1321 A C 1.037 178.613 177.584 -0.013 0.000 1.069 1321 A CA 0.518 52.550 52.037 -0.008 0.000 0.763 1321 A CB -0.576 18.429 19.000 0.008 0.000 1.001 1321 A HN 0.924 nan 8.150 nan 0.000 0.498 1322 G N 0.653 109.426 108.800 -0.046 0.000 2.176 1322 G HA2 -0.235 3.823 3.960 0.164 0.000 0.252 1322 G HA3 -0.235 3.823 3.960 0.164 0.000 0.252 1322 G C 0.147 175.016 174.900 -0.051 0.000 1.024 1322 G CA 0.621 45.684 45.100 -0.061 0.000 0.755 1322 G HN 1.284 nan 8.290 nan 0.000 0.507 1323 Q N 0.127 119.893 119.800 -0.057 0.000 2.241 1323 Q HA 0.555 4.994 4.340 0.164 0.000 0.254 1323 Q C -2.500 173.457 176.000 -0.072 0.000 0.917 1323 Q CA -2.381 53.401 55.803 -0.035 0.000 0.919 1323 Q CB 1.570 30.301 28.738 -0.013 0.000 1.237 1323 Q HN 0.107 nan 8.270 nan 0.000 0.434 1324 P HA -0.090 nan 4.420 nan 0.000 0.256 1324 P C -0.369 176.885 177.300 -0.076 0.000 1.189 1324 P CA 0.275 63.343 63.100 -0.052 0.000 0.808 1324 P CB 0.419 32.118 31.700 -0.001 0.000 0.793 1325 L N 2.980 124.121 121.223 -0.137 0.000 2.354 1325 L HA 0.122 4.560 4.340 0.164 0.000 0.212 1325 L C 1.099 177.912 176.870 -0.095 0.000 1.091 1325 L CA 1.646 56.400 54.840 -0.144 0.000 0.828 1325 L CB -0.314 41.578 42.059 -0.278 0.000 0.973 1325 L HN 0.249 nan 8.230 nan 0.000 0.461 1326 T N -1.306 113.194 114.554 -0.090 0.000 2.889 1326 T HA 0.483 4.932 4.350 0.164 0.000 0.278 1326 T C -0.424 174.258 174.700 -0.029 0.000 0.995 1326 T CA -0.540 61.529 62.100 -0.052 0.000 0.966 1326 T CB 2.029 70.864 68.868 -0.054 0.000 1.237 1326 T HN -0.045 nan 8.240 nan 0.000 0.591 1327 R N -0.821 119.671 120.500 -0.013 0.000 2.637 1327 R HA 0.673 5.112 4.340 0.164 0.000 0.291 1327 R C 0.163 176.466 176.300 0.006 0.000 0.963 1327 R CA 0.522 56.622 56.100 0.000 0.000 0.901 1327 R CB 0.942 31.245 30.300 0.005 0.000 1.160 1327 R HN 0.957 nan 8.270 nan 0.000 0.457 1328 G N 1.563 110.374 108.800 0.018 0.000 2.250 1328 G HA2 0.211 4.269 3.960 0.164 0.000 0.196 1328 G HA3 0.211 4.269 3.960 0.164 0.000 0.196 1328 G C -1.017 173.911 174.900 0.047 0.000 1.308 1328 G CA -0.419 44.697 45.100 0.026 0.000 1.207 1328 G HN 0.898 nan 8.290 nan 0.000 0.505 1329 A N -0.607 122.242 122.820 0.049 0.000 2.272 1329 A HA 0.803 5.221 4.320 0.164 0.000 0.275 1329 A C -0.200 177.414 177.584 0.050 0.000 1.096 1329 A CA 0.242 52.328 52.037 0.080 0.000 0.822 1329 A CB 0.435 19.475 19.000 0.067 0.000 1.088 1329 A HN 1.269 nan 8.150 nan 0.000 0.495 1330 I N -0.296 120.307 120.570 0.055 0.000 2.846 1330 I HA 0.350 4.618 4.170 0.164 0.000 0.307 1330 I C -0.561 175.459 176.117 -0.160 0.000 1.053 1330 I CA -0.375 60.864 61.300 -0.102 0.000 1.050 1330 I CB 1.967 39.802 38.000 -0.276 0.000 1.239 1330 I HN 0.562 nan 8.210 nan 0.000 0.439 1331 D N 4.458 124.747 120.400 -0.185 0.000 2.427 1331 D HA 0.369 5.108 4.640 0.164 0.000 0.226 1331 D C -2.016 174.143 176.300 -0.234 0.000 1.076 1331 D CA -2.274 51.622 54.000 -0.173 0.000 0.849 1331 D CB 1.829 42.574 40.800 -0.092 0.000 1.052 1331 D HN 0.093 nan 8.370 nan 0.000 0.515 1332 P HA -0.246 nan 4.420 nan 0.000 0.219 1332 P C 1.119 178.334 177.300 -0.142 0.000 1.161 1332 P CA 1.466 64.398 63.100 -0.279 0.000 0.909 1332 P CB 0.117 31.635 31.700 -0.303 0.000 0.793 1333 H N -0.346 118.688 119.070 -0.061 0.000 2.265 1333 H HA -0.166 4.489 4.556 0.164 0.000 0.295 1333 H C 2.086 177.387 175.328 -0.046 0.000 1.084 1333 H CA 1.676 57.702 56.048 -0.037 0.000 1.261 1333 H CB -1.137 28.611 29.762 -0.023 0.000 1.360 1333 H HN 0.329 nan 8.280 nan 0.000 0.487 1334 Q N -0.140 119.703 119.800 0.072 0.000 2.030 1334 Q HA -0.140 4.298 4.340 0.164 0.000 0.204 1334 Q C 2.482 178.463 176.000 -0.032 0.000 0.986 1334 Q CA 1.312 57.120 55.803 0.008 0.000 0.843 1334 Q CB -0.326 28.398 28.738 -0.024 0.000 0.904 1334 Q HN 0.176 nan 8.270 nan 0.000 0.420 1335 L N 0.983 122.152 121.223 -0.090 0.000 2.187 1335 L HA -0.152 4.286 4.340 0.164 0.000 0.213 1335 L C 1.997 178.831 176.870 -0.060 0.000 1.100 1335 L CA 1.310 56.080 54.840 -0.117 0.000 0.765 1335 L CB -0.522 41.390 42.059 -0.245 0.000 0.904 1335 L HN 0.269 nan 8.230 nan 0.000 0.437 1336 L N -1.115 120.092 121.223 -0.027 0.000 2.072 1336 L HA -0.101 4.337 4.340 0.164 0.000 0.205 1336 L C 2.302 179.182 176.870 0.017 0.000 1.079 1336 L CA 1.542 56.388 54.840 0.010 0.000 0.752 1336 L CB -0.525 41.563 42.059 0.049 0.000 0.906 1336 L HN 0.198 nan 8.230 nan 0.000 0.436 1337 E N 0.081 120.290 120.200 0.016 0.000 2.028 1337 E HA -0.085 4.363 4.350 0.164 0.000 0.191 1337 E C 2.103 178.707 176.600 0.007 0.000 0.988 1337 E CA 1.576 57.984 56.400 0.014 0.000 0.799 1337 E CB -0.498 29.211 29.700 0.015 0.000 0.755 1337 E HN 0.611 nan 8.360 nan 0.000 0.447 1338 A N 0.722 123.541 122.820 -0.002 0.000 1.824 1338 A HA -0.225 4.194 4.320 0.164 0.000 0.215 1338 A C 2.167 179.751 177.584 0.001 0.000 1.209 1338 A CA 2.068 54.103 52.037 -0.004 0.000 0.614 1338 A CB -0.666 18.322 19.000 -0.021 0.000 0.852 1338 A HN 0.161 nan 8.150 nan 0.000 0.447 1339 K N -1.909 118.489 120.400 -0.004 0.000 1.991 1339 K HA 0.275 4.694 4.320 0.164 0.000 0.207 1339 K C 0.868 177.476 176.600 0.014 0.000 1.045 1339 K CA 1.059 57.351 56.287 0.009 0.000 0.937 1339 K CB -0.118 32.386 32.500 0.008 0.000 0.720 1339 K HN 0.854 nan 8.250 nan 0.000 0.438 1340 G N -1.924 106.883 108.800 0.012 0.000 2.359 1340 G HA2 -0.067 3.991 3.960 0.164 0.000 0.303 1340 G HA3 -0.067 3.991 3.960 0.164 0.000 0.303 1340 G C -2.651 172.264 174.900 0.026 0.000 1.293 1340 G CA -0.629 44.483 45.100 0.020 0.000 0.964 1340 G HN -0.094 nan 8.290 nan 0.000 0.531 1341 P HA 0.090 nan 4.420 nan 0.000 0.214 1341 P C 1.453 178.775 177.300 0.037 0.000 1.162 1341 P CA 1.542 64.669 63.100 0.044 0.000 0.874 1341 P CB 0.106 31.843 31.700 0.062 0.000 0.784 1342 E N -0.766 119.452 120.200 0.030 0.000 2.333 1342 E HA -0.155 4.293 4.350 0.164 0.000 0.200 1342 E C 1.811 178.431 176.600 0.033 0.000 1.010 1342 E CA 1.248 57.661 56.400 0.022 0.000 0.841 1342 E CB -0.515 29.189 29.700 0.005 0.000 0.757 1342 E HN 0.193 nan 8.360 nan 0.000 0.508 1343 A N -0.336 122.508 122.820 0.040 0.000 1.924 1343 A HA -0.002 4.416 4.320 0.164 0.000 0.211 1343 A C 2.287 179.921 177.584 0.084 0.000 1.198 1343 A CA 0.380 52.452 52.037 0.058 0.000 0.657 1343 A CB -0.165 18.862 19.000 0.045 0.000 0.852 1343 A HN 0.121 nan 8.150 nan 0.000 0.454 1344 V N 0.411 120.356 119.914 0.053 0.000 2.255 1344 V HA -0.317 3.901 4.120 0.164 0.000 0.247 1344 V C 2.366 178.516 176.094 0.093 0.000 1.051 1344 V CA 2.430 64.761 62.300 0.051 0.000 1.018 1344 V CB -1.081 30.754 31.823 0.020 0.000 0.641 1344 V HN 0.621 nan 8.190 nan 0.000 0.445 1345 E N -0.054 120.180 120.200 0.056 0.000 2.048 1345 E HA -0.317 4.132 4.350 0.164 0.000 0.202 1345 E C 2.444 179.069 176.600 0.041 0.000 1.021 1345 E CA 1.872 58.293 56.400 0.035 0.000 0.825 1345 E CB -0.217 29.497 29.700 0.023 0.000 0.756 1345 E HN 0.290 nan 8.360 nan 0.000 0.454 1346 R N -0.133 120.398 120.500 0.051 0.000 2.127 1346 R HA -0.179 4.260 4.340 0.164 0.000 0.238 1346 R C 1.985 178.312 176.300 0.045 0.000 1.134 1346 R CA 1.377 57.500 56.100 0.038 0.000 0.975 1346 R CB -0.720 29.605 30.300 0.041 0.000 0.865 1346 R HN 0.344 nan 8.270 nan 0.000 0.447 1347 Y N -0.210 120.078 120.300 -0.020 0.000 2.109 1347 Y HA -0.187 4.462 4.550 0.164 0.000 0.285 1347 Y C 1.568 177.449 175.900 -0.032 0.000 1.131 1347 Y CA 1.725 59.813 58.100 -0.021 0.000 1.121 1347 Y CB -0.419 38.027 38.460 -0.023 0.000 0.987 1347 Y HN 0.008 nan 8.280 nan 0.000 0.495 1348 L N -0.292 121.044 121.223 0.189 0.000 1.963 1348 L HA -0.282 4.157 4.340 0.164 0.000 0.220 1348 L C 2.525 179.342 176.870 -0.088 0.000 1.076 1348 L CA 1.803 56.673 54.840 0.050 0.000 0.772 1348 L CB -1.594 40.459 42.059 -0.011 0.000 0.892 1348 L HN 0.185 nan 8.230 nan 0.000 0.435 1349 V N -0.386 119.481 119.914 -0.078 0.000 2.218 1349 V HA -0.387 3.831 4.120 0.164 0.000 0.251 1349 V C 2.640 178.680 176.094 -0.091 0.000 1.057 1349 V CA 2.276 64.528 62.300 -0.080 0.000 1.022 1349 V CB -0.634 31.159 31.823 -0.051 0.000 0.645 1349 V HN 0.531 nan 8.190 nan 0.000 0.451 1350 E N 0.274 120.406 120.200 -0.114 0.000 2.058 1350 E HA -0.259 4.189 4.350 0.164 0.000 0.194 1350 E C 2.061 178.561 176.600 -0.166 0.000 0.997 1350 E CA 1.852 58.174 56.400 -0.130 0.000 0.801 1350 E CB -0.449 29.167 29.700 -0.141 0.000 0.746 1350 E HN 0.572 nan 8.360 nan 0.000 0.450 1351 E N -0.403 119.614 120.200 -0.305 0.000 2.267 1351 E HA -0.125 4.323 4.350 0.164 0.000 0.197 1351 E C 1.737 178.289 176.600 -0.080 0.000 0.998 1351 E CA 0.830 57.051 56.400 -0.299 0.000 0.830 1351 E CB -0.184 29.153 29.700 -0.605 0.000 0.751 1351 E HN 0.330 nan 8.360 nan 0.000 0.491 1352 I N 0.324 120.874 120.570 -0.034 0.000 2.206 1352 I HA -0.186 4.082 4.170 0.164 0.000 0.239 1352 I C 2.155 178.346 176.117 0.124 0.000 1.078 1352 I CA 1.029 62.383 61.300 0.089 0.000 1.367 1352 I CB -1.143 36.894 38.000 0.062 0.000 1.078 1352 I HN 0.230 nan 8.210 nan 0.000 0.413 1353 Q N 0.991 120.806 119.800 0.025 0.000 2.133 1353 Q HA -0.241 4.198 4.340 0.164 0.000 0.208 1353 Q C 2.104 178.169 176.000 0.108 0.000 0.991 1353 Q CA 1.359 57.183 55.803 0.035 0.000 0.867 1353 Q CB -0.435 28.293 28.738 -0.017 0.000 0.911 1353 Q HN 0.394 nan 8.270 nan 0.000 0.417 1354 K N 0.060 120.491 120.400 0.052 0.000 2.127 1354 K HA -0.177 4.241 4.320 0.164 0.000 0.212 1354 K C 2.148 178.798 176.600 0.083 0.000 1.050 1354 K CA 1.691 58.002 56.287 0.042 0.000 0.929 1354 K CB -0.622 31.876 32.500 -0.004 0.000 0.715 1354 K HN 0.207 nan 8.250 nan 0.000 0.457 1355 V N -0.682 119.319 119.914 0.145 0.000 2.346 1355 V HA -0.199 4.020 4.120 0.164 0.000 0.244 1355 V C 2.148 178.292 176.094 0.084 0.000 1.037 1355 V CA 1.412 63.772 62.300 0.101 0.000 1.029 1355 V CB -0.987 30.885 31.823 0.081 0.000 0.663 1355 V HN 0.076 nan 8.190 nan 0.000 0.454 1356 Y N 1.293 121.606 120.300 0.022 0.000 2.224 1356 Y HA -0.123 4.526 4.550 0.164 0.000 0.289 1356 Y C 2.772 178.679 175.900 0.011 0.000 1.146 1356 Y CA 1.338 59.450 58.100 0.021 0.000 1.182 1356 Y CB -0.687 37.794 38.460 0.034 0.000 0.983 1356 Y HN 0.128 nan 8.280 nan 0.000 0.524 1357 R N -0.019 120.587 120.500 0.176 0.000 2.080 1357 R HA -0.177 4.261 4.340 0.164 0.000 0.236 1357 R C 2.424 178.755 176.300 0.050 0.000 1.137 1357 R CA 1.481 57.633 56.100 0.086 0.000 0.943 1357 R CB -0.885 29.449 30.300 0.055 0.000 0.846 1357 R HN 0.293 nan 8.270 nan 0.000 0.431 1358 A N 0.773 123.616 122.820 0.039 0.000 2.225 1358 A HA -0.106 4.312 4.320 0.164 0.000 0.215 1358 A C 1.486 179.070 177.584 0.001 0.000 1.164 1358 A CA 1.021 53.068 52.037 0.015 0.000 0.710 1358 A CB 0.017 19.023 19.000 0.010 0.000 0.780 1358 A HN 0.259 nan 8.150 nan 0.000 0.473 1359 Q N -1.828 117.970 119.800 -0.003 0.000 2.179 1359 Q HA 0.242 4.681 4.340 0.164 0.000 0.213 1359 Q C 1.221 177.218 176.000 -0.004 0.000 0.833 1359 Q CA 0.561 56.347 55.803 -0.028 0.000 0.990 1359 Q CB 0.702 29.383 28.738 -0.095 0.000 1.132 1359 Q HN 0.832 nan 8.270 nan 0.000 0.493 1360 G N 0.582 109.394 108.800 0.018 0.000 2.320 1360 G HA2 -0.299 3.760 3.960 0.164 0.000 0.242 1360 G HA3 -0.299 3.760 3.960 0.164 0.000 0.242 1360 G C 0.477 175.403 174.900 0.044 0.000 1.033 1360 G CA 0.248 45.363 45.100 0.024 0.000 0.620 1360 G HN 0.269 nan 8.290 nan 0.000 0.517 1361 V N 1.755 121.711 119.914 0.070 0.000 2.617 1361 V HA 0.263 4.482 4.120 0.164 0.000 0.304 1361 V C 0.741 176.906 176.094 0.118 0.000 1.040 1361 V CA 1.064 63.437 62.300 0.121 0.000 1.149 1361 V CB 1.149 33.111 31.823 0.233 0.000 0.914 1361 V HN 0.367 nan 8.190 nan 0.000 0.487 1362 K N 6.419 126.868 120.400 0.081 0.000 2.484 1362 K HA 0.466 4.885 4.320 0.164 0.000 0.226 1362 K C -0.710 175.923 176.600 0.055 0.000 1.031 1362 K CA -0.351 55.963 56.287 0.045 0.000 1.026 1362 K CB 0.952 33.451 32.500 -0.002 0.000 1.412 1362 K HN 0.657 nan 8.250 nan 0.000 0.492 1363 L N -1.062 120.202 121.223 0.068 0.000 2.329 1363 L HA 0.544 4.983 4.340 0.164 0.000 0.279 1363 L C 0.135 177.072 176.870 0.111 0.000 1.014 1363 L CA -0.961 53.945 54.840 0.109 0.000 0.814 1363 L CB 1.158 43.269 42.059 0.086 0.000 1.257 1363 L HN 0.383 nan 8.230 nan 0.000 0.424 1364 H N 2.100 121.225 119.070 0.092 0.000 2.972 1364 H HA 0.009 4.664 4.556 0.165 0.000 0.343 1364 H C -0.095 175.190 175.328 -0.073 0.000 1.054 1364 H CA 0.761 56.804 56.048 -0.008 0.000 1.412 1364 H CB 1.284 31.000 29.762 -0.077 0.000 1.385 1364 H HN 0.889 nan 8.280 nan 0.000 0.600 1365 D N 4.039 124.536 120.400 0.162 0.000 2.178 1365 D HA -0.136 4.602 4.640 0.164 0.000 0.201 1365 D C 1.900 178.243 176.300 0.072 0.000 0.980 1365 D CA 1.210 55.268 54.000 0.097 0.000 0.842 1365 D CB 0.232 41.044 40.800 0.020 0.000 0.948 1365 D HN 0.540 nan 8.370 nan 0.000 0.472 1366 K N -0.074 120.363 120.400 0.062 0.000 2.056 1366 K HA -0.289 4.129 4.320 0.164 0.000 0.225 1366 K C 2.039 178.501 176.600 -0.229 0.000 1.053 1366 K CA 1.870 57.904 56.287 -0.422 0.000 0.966 1366 K CB -0.427 31.373 32.500 -1.167 0.000 0.735 1366 K HN 0.414 nan 8.250 nan 0.000 0.455 1367 H N 0.211 119.297 119.070 0.026 0.000 2.319 1367 H HA -0.121 4.533 4.556 0.164 0.000 0.299 1367 H C 2.199 177.573 175.328 0.077 0.000 1.092 1367 H CA 1.325 57.423 56.048 0.083 0.000 1.302 1367 H CB -0.369 29.447 29.762 0.090 0.000 1.373 1367 H HN 0.205 nan 8.280 nan 0.000 0.497 1368 I N 1.392 122.053 120.570 0.153 0.000 2.454 1368 I HA -0.162 4.107 4.170 0.164 0.000 0.254 1368 I C 2.077 178.206 176.117 0.020 0.000 1.156 1368 I CA 0.834 62.184 61.300 0.084 0.000 1.433 1368 I CB -0.860 37.147 38.000 0.010 0.000 1.082 1368 I HN 0.307 nan 8.210 nan 0.000 0.432 1369 E N 1.173 121.386 120.200 0.022 0.000 2.015 1369 E HA -0.158 4.290 4.350 0.164 0.000 0.191 1369 E C 2.327 178.947 176.600 0.034 0.000 0.991 1369 E CA 1.094 57.496 56.400 0.003 0.000 0.802 1369 E CB -0.159 29.532 29.700 -0.015 0.000 0.759 1369 E HN 0.356 nan 8.360 nan 0.000 0.447 1370 I N 1.162 121.779 120.570 0.078 0.000 2.113 1370 I HA -0.368 3.900 4.170 0.164 0.000 0.242 1370 I C 2.416 178.595 176.117 0.103 0.000 1.057 1370 I CA 1.192 62.562 61.300 0.115 0.000 1.314 1370 I CB -0.774 37.340 38.000 0.190 0.000 1.022 1370 I HN -0.002 nan 8.210 nan 0.000 0.408 1371 V N 0.295 120.282 119.914 0.121 0.000 2.214 1371 V HA -0.297 3.922 4.120 0.164 0.000 0.244 1371 V C 2.363 178.480 176.094 0.038 0.000 1.045 1371 V CA 2.074 64.451 62.300 0.127 0.000 0.993 1371 V CB -0.716 31.247 31.823 0.233 0.000 0.633 1371 V HN 0.377 nan 8.190 nan 0.000 0.449 1372 V N 0.792 120.667 119.914 -0.066 0.000 2.357 1372 V HA -0.409 3.810 4.120 0.164 0.000 0.257 1372 V C 2.738 178.823 176.094 -0.016 0.000 1.082 1372 V CA 3.021 65.260 62.300 -0.102 0.000 1.078 1372 V CB -0.668 31.077 31.823 -0.131 0.000 0.663 1372 V HN 0.662 nan 8.190 nan 0.000 0.455 1373 R N -0.840 119.666 120.500 0.010 0.000 2.083 1373 R HA -0.217 4.221 4.340 0.164 0.000 0.237 1373 R C 2.235 178.557 176.300 0.037 0.000 1.137 1373 R CA 2.099 58.212 56.100 0.023 0.000 0.951 1373 R CB -0.397 29.919 30.300 0.026 0.000 0.851 1373 R HN 0.541 nan 8.270 nan 0.000 0.434 1374 Q N 0.210 120.045 119.800 0.058 0.000 2.291 1374 Q HA -0.128 4.311 4.340 0.164 0.000 0.206 1374 Q C 1.927 178.008 176.000 0.135 0.000 0.976 1374 Q CA 1.289 57.143 55.803 0.086 0.000 0.875 1374 Q CB -0.139 28.668 28.738 0.114 0.000 0.927 1374 Q HN 0.518 nan 8.270 nan 0.000 0.450 1375 M N -0.967 118.695 119.600 0.104 0.000 2.630 1375 M HA -0.018 4.561 4.480 0.164 0.000 0.254 1375 M C 0.571 176.960 176.300 0.149 0.000 1.092 1375 M CA 0.928 56.300 55.300 0.120 0.000 1.087 1375 M CB 0.213 32.841 32.600 0.046 0.000 1.453 1375 M HN 0.064 nan 8.290 nan 0.000 0.509 1376 M N -0.983 118.692 119.600 0.126 0.000 3.320 1376 M HA 0.132 4.710 4.480 0.164 0.000 0.414 1376 M C 0.787 177.131 176.300 0.073 0.000 1.553 1376 M CA -0.056 55.319 55.300 0.125 0.000 0.742 1376 M CB 0.560 33.212 32.600 0.087 0.000 1.434 1376 M HN -0.045 nan 8.290 nan 0.000 0.505 1377 K N 0.185 120.604 120.400 0.032 0.000 2.404 1377 K HA 0.138 4.556 4.320 0.164 0.000 0.194 1377 K C -0.954 175.420 176.600 -0.377 0.000 1.023 1377 K CA 0.430 56.583 56.287 -0.224 0.000 1.094 1377 K CB 0.512 32.795 32.500 -0.362 0.000 0.841 1377 K HN 0.269 nan 8.250 nan 0.000 0.523 1378 Y N 0.194 120.525 120.300 0.052 0.000 2.499 1378 Y HA 0.441 5.090 4.550 0.164 0.000 0.347 1378 Y C -0.385 175.571 175.900 0.094 0.000 0.987 1378 Y CA -1.266 56.877 58.100 0.071 0.000 1.044 1378 Y CB 2.204 40.709 38.460 0.074 0.000 1.245 1378 Y HN -0.121 nan 8.280 nan 0.000 0.461 1379 V N -1.383 118.708 119.914 0.294 0.000 2.971 1379 V HA 0.607 4.826 4.120 0.164 0.000 0.309 1379 V C -0.752 175.496 176.094 0.258 0.000 1.130 1379 V CA -1.198 61.249 62.300 0.245 0.000 0.964 1379 V CB 1.834 33.746 31.823 0.150 0.000 1.029 1379 V HN 0.851 nan 8.190 nan 0.000 0.427 1380 E N 1.553 121.871 120.200 0.197 0.000 2.312 1380 E HA 0.666 5.115 4.350 0.164 0.000 0.259 1380 E C -1.208 175.434 176.600 0.071 0.000 1.122 1380 E CA -0.676 55.804 56.400 0.132 0.000 0.922 1380 E CB 1.924 31.676 29.700 0.088 0.000 1.109 1380 E HN 0.714 nan 8.360 nan 0.000 0.442 1381 V N 1.936 121.847 119.914 -0.005 0.000 2.495 1381 V HA 0.256 4.474 4.120 0.164 0.000 0.298 1381 V C 0.383 176.433 176.094 -0.074 0.000 1.031 1381 V CA -0.390 61.845 62.300 -0.109 0.000 0.871 1381 V CB 1.543 33.248 31.823 -0.197 0.000 0.988 1381 V HN 0.960 nan 8.190 nan 0.000 0.432 1382 T N -0.415 114.085 114.554 -0.090 0.000 2.958 1382 T HA 0.219 4.667 4.350 0.164 0.000 0.256 1382 T C -0.032 174.616 174.700 -0.086 0.000 0.983 1382 T CA 0.025 62.079 62.100 -0.077 0.000 0.924 1382 T CB 0.403 69.225 68.868 -0.078 0.000 1.136 1382 T HN 0.538 nan 8.240 nan 0.000 0.506 1383 D N 2.432 122.768 120.400 -0.107 0.000 2.402 1383 D HA 0.434 5.172 4.640 0.164 0.000 0.252 1383 D C -2.918 173.319 176.300 -0.105 0.000 1.294 1383 D CA -1.926 52.017 54.000 -0.095 0.000 0.948 1383 D CB 2.272 43.017 40.800 -0.093 0.000 1.202 1383 D HN 0.020 nan 8.370 nan 0.000 0.561 1384 P HA 0.387 nan 4.420 nan 0.000 0.274 1384 P C 0.449 177.727 177.300 -0.036 0.000 1.246 1384 P CA -0.183 62.874 63.100 -0.070 0.000 0.795 1384 P CB 1.459 33.132 31.700 -0.045 0.000 1.006 1385 G N -0.632 108.166 108.800 -0.004 0.000 2.445 1385 G HA2 -0.020 4.038 3.960 0.164 0.000 0.204 1385 G HA3 -0.020 4.038 3.960 0.164 0.000 0.204 1385 G C 0.661 175.595 174.900 0.056 0.000 1.542 1385 G CA 0.334 45.451 45.100 0.028 0.000 0.584 1385 G HN 0.508 nan 8.290 nan 0.000 1.127 1386 D N -0.039 120.416 120.400 0.093 0.000 3.084 1386 D HA 0.275 5.014 4.640 0.164 0.000 0.294 1386 D C 0.607 176.972 176.300 0.107 0.000 1.165 1386 D CA 0.529 54.596 54.000 0.112 0.000 1.008 1386 D CB 0.981 41.882 40.800 0.170 0.000 1.266 1386 D HN 0.132 nan 8.370 nan 0.000 0.449 1387 S N -0.128 115.662 115.700 0.150 0.000 2.664 1387 S HA 0.578 5.147 4.470 0.164 0.000 0.304 1387 S C -0.241 174.408 174.600 0.081 0.000 1.099 1387 S CA -0.552 57.727 58.200 0.132 0.000 1.003 1387 S CB 2.345 65.673 63.200 0.214 0.000 1.092 1387 S HN 0.025 nan 8.310 nan 0.000 0.525 1388 R N 1.423 121.959 120.500 0.059 0.000 2.679 1388 R HA 0.191 4.629 4.340 0.164 0.000 0.269 1388 R C 0.963 177.272 176.300 0.015 0.000 1.076 1388 R CA -0.368 55.746 56.100 0.024 0.000 1.160 1388 R CB -0.105 30.205 30.300 0.016 0.000 1.054 1388 R HN 0.650 nan 8.270 nan 0.000 0.507 1389 L N 0.700 121.914 121.223 -0.015 0.000 2.762 1389 L HA 0.184 4.622 4.340 0.164 0.000 0.250 1389 L C 0.139 177.004 176.870 -0.008 0.000 1.160 1389 L CA 0.878 55.700 54.840 -0.030 0.000 0.951 1389 L CB -0.228 41.803 42.059 -0.048 0.000 1.148 1389 L HN 0.435 nan 8.230 nan 0.000 0.424 1390 L N -0.151 121.080 121.223 0.014 0.000 3.014 1390 L HA 0.393 4.831 4.340 0.164 0.000 0.263 1390 L C 0.352 177.249 176.870 0.046 0.000 1.207 1390 L CA -0.125 54.728 54.840 0.021 0.000 1.017 1390 L CB 0.381 42.449 42.059 0.015 0.000 1.360 1390 L HN 0.354 nan 8.230 nan 0.000 0.560 1391 E N -0.012 120.232 120.200 0.073 0.000 2.283 1391 E HA 0.489 4.938 4.350 0.164 0.000 0.267 1391 E C 0.198 176.894 176.600 0.160 0.000 1.045 1391 E CA -0.451 56.024 56.400 0.124 0.000 0.884 1391 E CB 1.521 31.336 29.700 0.192 0.000 1.106 1391 E HN 0.129 nan 8.360 nan 0.000 0.408 1392 G N 1.704 110.607 108.800 0.171 0.000 2.814 1392 G HA2 0.272 4.331 3.960 0.164 0.000 0.300 1392 G HA3 0.272 4.331 3.960 0.164 0.000 0.300 1392 G C -0.737 174.316 174.900 0.256 0.000 1.406 1392 G CA -0.254 44.963 45.100 0.195 0.000 1.041 1392 G HN 0.247 nan 8.290 nan 0.000 0.532 1393 Q N 0.695 120.741 119.800 0.410 0.000 2.458 1393 Q HA 0.426 4.865 4.340 0.164 0.000 0.282 1393 Q C -0.229 175.909 176.000 0.230 0.000 1.106 1393 Q CA -1.029 54.954 55.803 0.300 0.000 0.814 1393 Q CB 3.096 31.896 28.738 0.104 0.000 1.425 1393 Q HN 0.307 nan 8.270 nan 0.000 0.437 1394 V N 2.848 122.760 119.914 -0.004 0.000 2.583 1394 V HA -0.187 4.032 4.120 0.164 0.000 0.302 1394 V C 1.748 177.683 176.094 -0.266 0.000 1.033 1394 V CA 0.825 63.006 62.300 -0.198 0.000 1.194 1394 V CB -0.313 31.388 31.823 -0.203 0.000 0.879 1394 V HN 0.808 nan 8.190 nan 0.000 0.482 1395 L N 3.952 125.057 121.223 -0.196 0.000 1.978 1395 L HA -0.191 4.248 4.340 0.164 0.000 0.218 1395 L C 2.500 179.199 176.870 -0.285 0.000 1.075 1395 L CA 2.112 56.832 54.840 -0.199 0.000 0.767 1395 L CB -0.187 41.749 42.059 -0.206 0.000 0.890 1395 L HN 0.838 nan 8.230 nan 0.000 0.434 1396 E N 0.115 120.128 120.200 -0.312 0.000 2.118 1396 E HA -0.319 4.129 4.350 0.164 0.000 0.195 1396 E C 2.154 178.565 176.600 -0.315 0.000 0.992 1396 E CA 1.544 57.754 56.400 -0.315 0.000 0.804 1396 E CB -0.080 29.389 29.700 -0.385 0.000 0.741 1396 E HN 0.461 nan 8.360 nan 0.000 0.458 1397 K N -0.587 119.572 120.400 -0.402 0.000 2.281 1397 K HA -0.166 4.252 4.320 0.164 0.000 0.203 1397 K C 1.657 178.007 176.600 -0.416 0.000 1.046 1397 K CA 1.329 57.347 56.287 -0.447 0.000 0.938 1397 K CB -0.178 31.970 32.500 -0.586 0.000 0.737 1397 K HN 0.209 nan 8.250 nan 0.000 0.458 1398 W N 0.283 121.455 121.300 -0.212 0.000 2.640 1398 W HA -0.001 4.759 4.660 0.166 0.000 0.268 1398 W C 1.402 177.796 176.519 -0.209 0.000 1.263 1398 W CA -0.476 56.740 57.345 -0.215 0.000 1.344 1398 W CB 0.337 29.581 29.460 -0.360 0.000 1.093 1398 W HN 0.049 nan 8.180 nan 0.000 0.603 1399 D N -0.075 120.292 120.400 -0.054 0.000 2.312 1399 D HA -0.103 4.636 4.640 0.164 0.000 0.211 1399 D C 2.110 178.405 176.300 -0.008 0.000 0.964 1399 D CA 0.904 54.874 54.000 -0.049 0.000 0.877 1399 D CB -0.014 40.722 40.800 -0.106 0.000 0.924 1399 D HN -0.009 nan 8.370 nan 0.000 0.515 1400 V N 0.445 120.343 119.914 -0.027 0.000 2.379 1400 V HA -0.088 4.130 4.120 0.164 0.000 0.243 1400 V C 2.367 178.482 176.094 0.035 0.000 1.035 1400 V CA 0.992 63.279 62.300 -0.023 0.000 1.035 1400 V CB -0.183 31.596 31.823 -0.073 0.000 0.673 1400 V HN 0.146 nan 8.190 nan 0.000 0.457 1401 E N 1.264 121.516 120.200 0.088 0.000 2.017 1401 E HA -0.235 4.213 4.350 0.164 0.000 0.193 1401 E C 2.260 178.947 176.600 0.145 0.000 0.997 1401 E CA 1.871 58.364 56.400 0.154 0.000 0.804 1401 E CB -0.261 29.637 29.700 0.330 0.000 0.757 1401 E HN 0.438 nan 8.360 nan 0.000 0.448 1402 A N 1.535 124.462 122.820 0.178 0.000 1.908 1402 A HA -0.159 4.260 4.320 0.164 0.000 0.218 1402 A C 2.542 180.190 177.584 0.106 0.000 1.181 1402 A CA 1.393 53.525 52.037 0.158 0.000 0.627 1402 A CB -0.817 18.323 19.000 0.233 0.000 0.818 1402 A HN 0.355 nan 8.150 nan 0.000 0.445 1403 L N -0.804 120.470 121.223 0.085 0.000 2.046 1403 L HA -0.202 4.237 4.340 0.164 0.000 0.208 1403 L C 1.893 178.790 176.870 0.044 0.000 1.077 1403 L CA 1.652 56.525 54.840 0.055 0.000 0.747 1403 L CB -0.356 41.722 42.059 0.032 0.000 0.896 1403 L HN 0.383 nan 8.230 nan 0.000 0.432 1404 N N -0.984 117.742 118.700 0.044 0.000 2.412 1404 N HA -0.122 4.716 4.740 0.164 0.000 0.184 1404 N C 1.459 176.995 175.510 0.042 0.000 1.101 1404 N CA 0.260 53.331 53.050 0.036 0.000 0.881 1404 N CB 0.214 38.719 38.487 0.030 0.000 0.969 1404 N HN 0.232 nan 8.380 nan 0.000 0.459 1405 E N 0.423 120.656 120.200 0.055 0.000 2.250 1405 E HA 0.059 4.507 4.350 0.164 0.000 0.192 1405 E C 1.816 178.441 176.600 0.042 0.000 0.986 1405 E CA 0.647 57.078 56.400 0.053 0.000 0.849 1405 E CB 0.288 30.029 29.700 0.068 0.000 0.797 1405 E HN 0.229 nan 8.360 nan 0.000 0.482 1406 R N -0.745 119.781 120.500 0.042 0.000 2.142 1406 R HA 0.091 4.530 4.340 0.164 0.000 0.204 1406 R C 1.362 177.678 176.300 0.027 0.000 1.059 1406 R CA 0.330 56.450 56.100 0.034 0.000 1.055 1406 R CB -0.061 30.261 30.300 0.037 0.000 0.976 1406 R HN 0.141 nan 8.270 nan 0.000 0.483 1407 L N 0.857 122.097 121.223 0.028 0.000 1.995 1407 L HA -0.018 4.420 4.340 0.164 0.000 0.206 1407 L C 2.182 179.063 176.870 0.019 0.000 1.098 1407 L CA 1.396 56.249 54.840 0.022 0.000 0.762 1407 L CB -0.724 41.348 42.059 0.021 0.000 0.900 1407 L HN 0.094 nan 8.230 nan 0.000 0.441 1408 I N -0.365 120.217 120.570 0.019 0.000 2.094 1408 I HA -0.104 4.164 4.170 0.164 0.000 0.234 1408 I C 1.253 177.381 176.117 0.018 0.000 1.063 1408 I CA 0.956 62.266 61.300 0.017 0.000 1.328 1408 I CB -0.834 37.175 38.000 0.016 0.000 1.058 1408 I HN 0.141 nan 8.210 nan 0.000 0.400 1409 A N 0.635 123.468 122.820 0.021 0.000 2.289 1409 A HA 0.407 4.826 4.320 0.164 0.000 0.298 1409 A C 0.253 177.850 177.584 0.022 0.000 1.208 1409 A CA -0.528 51.522 52.037 0.021 0.000 0.845 1409 A CB -0.135 18.880 19.000 0.024 0.000 1.125 1409 A HN 0.344 nan 8.150 nan 0.000 0.517 1410 E N 1.508 121.719 120.200 0.019 0.000 3.473 1410 E HA 0.433 4.882 4.350 0.164 0.000 0.309 1410 E C 0.792 177.403 176.600 0.019 0.000 1.502 1410 E CA 0.476 56.886 56.400 0.018 0.000 1.525 1410 E CB 0.119 29.827 29.700 0.014 0.000 1.183 1410 E HN 1.546 nan 8.360 nan 0.000 0.757 1411 G N 0.740 109.549 108.800 0.016 0.000 2.636 1411 G HA2 -0.287 3.772 3.960 0.164 0.000 0.261 1411 G HA3 -0.287 3.772 3.960 0.164 0.000 0.261 1411 G C -0.498 174.412 174.900 0.017 0.000 1.018 1411 G CA -0.162 44.947 45.100 0.015 0.000 1.308 1411 G HN 0.217 nan 8.290 nan 0.000 0.514 1412 K N 1.347 121.755 120.400 0.013 0.000 2.021 1412 K HA 0.145 4.563 4.320 0.164 0.000 0.238 1412 K C 0.564 177.170 176.600 0.010 0.000 1.149 1412 K CA 0.283 56.578 56.287 0.014 0.000 1.105 1412 K CB -0.117 32.388 32.500 0.008 0.000 1.246 1412 K HN 0.334 nan 8.250 nan 0.000 0.307 1413 T N 5.312 119.876 114.554 0.016 0.000 3.364 1413 T HA 0.178 4.627 4.350 0.164 0.000 0.323 1413 T C -2.399 172.307 174.700 0.011 0.000 1.323 1413 T CA -1.511 60.595 62.100 0.009 0.000 1.073 1413 T CB 0.430 69.307 68.868 0.015 0.000 1.150 1413 T HN 0.255 nan 8.240 nan 0.000 0.727 1414 P HA 0.051 nan 4.420 nan 0.000 0.262 1414 P C -0.150 177.140 177.300 -0.017 0.000 1.182 1414 P CA -0.245 62.851 63.100 -0.007 0.000 0.761 1414 P CB 0.322 31.998 31.700 -0.039 0.000 0.795 1415 V N 0.553 120.481 119.914 0.022 0.000 2.218 1415 V HA 0.598 4.816 4.120 0.164 0.000 0.261 1415 V C 0.468 176.567 176.094 0.008 0.000 1.142 1415 V CA -1.305 60.991 62.300 -0.006 0.000 0.965 1415 V CB -0.175 31.658 31.823 0.017 0.000 1.190 1415 V HN 0.566 nan 8.190 nan 0.000 0.478 1416 A N 5.516 128.263 122.820 -0.121 0.000 2.492 1416 A HA 0.587 5.005 4.320 0.164 0.000 0.254 1416 A C -0.209 177.273 177.584 -0.169 0.000 1.091 1416 A CA -0.156 51.727 52.037 -0.256 0.000 0.768 1416 A CB -0.047 18.818 19.000 -0.226 0.000 1.028 1416 A HN 1.313 nan 8.150 nan 0.000 0.498 1417 W N 1.570 122.770 121.300 -0.166 0.000 2.967 1417 W HA 0.776 5.536 4.660 0.166 0.000 0.342 1417 W C -1.021 175.446 176.519 -0.086 0.000 1.162 1417 W CA -1.157 56.083 57.345 -0.176 0.000 1.085 1417 W CB 1.199 30.526 29.460 -0.222 0.000 1.460 1417 W HN 0.471 nan 8.180 nan 0.000 0.584 1418 K N 1.802 122.341 120.400 0.232 0.000 2.463 1418 K HA 0.356 4.774 4.320 0.164 0.000 0.255 1418 K C -2.648 174.127 176.600 0.292 0.000 0.942 1418 K CA -1.759 54.620 56.287 0.154 0.000 0.814 1418 K CB 2.024 34.563 32.500 0.064 0.000 1.122 1418 K HN 0.032 nan 8.250 nan 0.000 0.425 1419 P HA -0.021 nan 4.420 nan 0.000 0.262 1419 P C -0.932 176.472 177.300 0.173 0.000 1.182 1419 P CA 0.268 63.523 63.100 0.257 0.000 0.761 1419 P CB 0.487 32.311 31.700 0.207 0.000 0.795 1420 L N 4.010 125.337 121.223 0.172 0.000 2.325 1420 L HA 0.361 4.800 4.340 0.164 0.000 0.281 1420 L C 0.060 177.019 176.870 0.149 0.000 1.004 1420 L CA -0.996 53.931 54.840 0.145 0.000 0.823 1420 L CB 1.511 43.658 42.059 0.148 0.000 1.236 1420 L HN 0.257 nan 8.230 nan 0.000 0.415 1421 L N 5.252 126.560 121.223 0.141 0.000 2.389 1421 L HA 0.392 4.830 4.340 0.164 0.000 0.265 1421 L C -0.100 176.871 176.870 0.167 0.000 1.167 1421 L CA 0.241 55.172 54.840 0.153 0.000 1.045 1421 L CB 0.042 42.197 42.059 0.161 0.000 1.351 1421 L HN 0.544 nan 8.230 nan 0.000 0.419 1422 M N 2.146 121.829 119.600 0.137 0.000 2.228 1422 M HA 0.393 4.971 4.480 0.164 0.000 0.326 1422 M C 1.055 177.418 176.300 0.104 0.000 1.122 1422 M CA 0.107 55.466 55.300 0.099 0.000 1.161 1422 M CB 0.603 33.220 32.600 0.028 0.000 1.437 1422 M HN 0.635 nan 8.290 nan 0.000 0.465 1423 G N 0.318 109.171 108.800 0.089 0.000 2.539 1423 G HA2 0.319 4.377 3.960 0.164 0.000 0.258 1423 G HA3 0.319 4.377 3.960 0.164 0.000 0.258 1423 G C 0.806 175.758 174.900 0.087 0.000 1.202 1423 G CA -0.672 44.479 45.100 0.086 0.000 0.851 1423 G HN 0.742 nan 8.290 nan 0.000 0.556 1424 V N 1.622 121.603 119.914 0.111 0.000 2.250 1424 V HA -0.232 3.987 4.120 0.164 0.000 0.250 1424 V C 2.663 178.816 176.094 0.098 0.000 1.060 1424 V CA 3.291 65.673 62.300 0.137 0.000 1.030 1424 V CB -0.958 31.000 31.823 0.226 0.000 0.643 1424 V HN 0.797 nan 8.190 nan 0.000 0.445 1425 T N -0.267 114.335 114.554 0.080 0.000 2.652 1425 T HA -0.250 4.198 4.350 0.164 0.000 0.267 1425 T C 1.928 176.659 174.700 0.052 0.000 1.039 1425 T CA 2.260 64.401 62.100 0.067 0.000 1.153 1425 T CB -0.366 68.539 68.868 0.061 0.000 0.863 1425 T HN 0.590 nan 8.240 nan 0.000 0.428 1426 K N 0.570 120.987 120.400 0.029 0.000 2.211 1426 K HA -0.053 4.365 4.320 0.164 0.000 0.203 1426 K C 2.633 179.190 176.600 -0.072 0.000 1.050 1426 K CA 1.109 57.385 56.287 -0.019 0.000 0.945 1426 K CB -0.223 32.260 32.500 -0.028 0.000 0.732 1426 K HN 0.221 nan 8.250 nan 0.000 0.451 1427 S N 0.063 115.751 115.700 -0.019 0.000 2.368 1427 S HA -0.152 4.417 4.470 0.164 0.000 0.225 1427 S C 1.897 176.530 174.600 0.055 0.000 1.030 1427 S CA 1.279 59.485 58.200 0.010 0.000 0.999 1427 S CB -0.230 63.089 63.200 0.198 0.000 0.844 1427 S HN 0.447 nan 8.310 nan 0.000 0.459 1428 A N 1.720 124.578 122.820 0.063 0.000 1.835 1428 A HA 0.065 4.483 4.320 0.164 0.000 0.215 1428 A C 2.049 179.661 177.584 0.046 0.000 1.199 1428 A CA 1.608 53.680 52.037 0.059 0.000 0.615 1428 A CB -1.226 17.791 19.000 0.028 0.000 0.838 1428 A HN 0.488 nan 8.150 nan 0.000 0.444 1429 L N 0.837 122.083 121.223 0.039 0.000 2.017 1429 L HA -0.236 4.202 4.340 0.164 0.000 0.234 1429 L C 2.174 179.028 176.870 -0.027 0.000 1.097 1429 L CA 2.599 57.449 54.840 0.017 0.000 0.816 1429 L CB -1.053 40.994 42.059 -0.019 0.000 0.914 1429 L HN 0.546 nan 8.230 nan 0.000 0.444 1430 S N -2.020 113.627 115.700 -0.088 0.000 3.812 1430 S HA 0.180 4.749 4.470 0.164 0.000 0.195 1430 S C 0.421 174.989 174.600 -0.054 0.000 1.460 1430 S CA -0.321 57.808 58.200 -0.118 0.000 1.052 1430 S CB -0.462 62.609 63.200 -0.216 0.000 1.385 1430 S HN 0.333 nan 8.310 nan 0.000 0.490 1431 T N 1.617 116.194 114.554 0.039 0.000 2.738 1431 T HA 0.264 4.713 4.350 0.164 0.000 0.298 1431 T C 1.112 175.849 174.700 0.061 0.000 0.962 1431 T CA -0.623 61.551 62.100 0.123 0.000 0.972 1431 T CB 0.606 69.541 68.868 0.112 0.000 0.928 1431 T HN 0.659 nan 8.240 nan 0.000 0.474 1432 K N 3.771 124.224 120.400 0.089 0.000 2.250 1432 K HA -0.214 4.204 4.320 0.164 0.000 0.217 1432 K C 0.955 177.562 176.600 0.011 0.000 1.010 1432 K CA 2.042 58.351 56.287 0.037 0.000 0.937 1432 K CB -0.551 31.949 32.500 -0.001 0.000 0.892 1432 K HN 0.586 nan 8.250 nan 0.000 0.481 1433 S N -0.434 115.232 115.700 -0.057 0.000 2.533 1433 S HA 0.040 4.608 4.470 0.164 0.000 0.282 1433 S C 0.823 175.404 174.600 -0.031 0.000 1.304 1433 S CA 0.023 58.169 58.200 -0.089 0.000 1.063 1433 S CB 0.303 63.371 63.200 -0.218 0.000 0.881 1433 S HN 0.453 nan 8.310 nan 0.000 0.493 1434 W N 6.487 127.747 121.300 -0.067 0.000 2.409 1434 W HA 0.016 4.775 4.660 0.166 0.000 0.299 1434 W C 1.122 177.555 176.519 -0.143 0.000 1.203 1434 W CA 0.561 57.856 57.345 -0.084 0.000 1.298 1434 W CB -0.873 28.562 29.460 -0.041 0.000 1.127 1434 W HN 0.584 nan 8.180 nan 0.000 0.528 1435 L N 1.507 122.239 121.223 -0.818 0.000 1.997 1435 L HA -0.312 4.126 4.340 0.164 0.000 0.216 1435 L C 2.967 179.617 176.870 -0.366 0.000 1.074 1435 L CA 2.678 57.130 54.840 -0.647 0.000 0.763 1435 L CB -1.679 39.990 42.059 -0.649 0.000 0.890 1435 L HN 0.208 nan 8.230 nan 0.000 0.434 1436 S N -1.628 113.919 115.700 -0.254 0.000 2.382 1436 S HA -0.179 4.389 4.470 0.164 0.000 0.228 1436 S C 2.071 176.624 174.600 -0.078 0.000 1.027 1436 S CA 1.068 59.196 58.200 -0.120 0.000 0.991 1436 S CB -0.283 62.883 63.200 -0.057 0.000 0.823 1436 S HN 0.528 nan 8.310 nan 0.000 0.469 1437 A N 1.283 124.057 122.820 -0.076 0.000 1.898 1437 A HA 0.149 4.568 4.320 0.164 0.000 0.216 1437 A C 2.324 179.855 177.584 -0.088 0.000 1.181 1437 A CA 1.660 53.672 52.037 -0.041 0.000 0.620 1437 A CB -1.190 17.794 19.000 -0.026 0.000 0.819 1437 A HN 0.593 nan 8.150 nan 0.000 0.442 1438 A N -0.235 122.441 122.820 -0.239 0.000 2.148 1438 A HA -0.105 4.314 4.320 0.164 0.000 0.222 1438 A C 2.289 179.724 177.584 -0.248 0.000 1.161 1438 A CA 2.152 53.915 52.037 -0.458 0.000 0.662 1438 A CB -0.649 17.420 19.000 -1.552 0.000 0.799 1438 A HN 0.505 nan 8.150 nan 0.000 0.466 1439 S N -1.832 113.797 115.700 -0.119 0.000 2.356 1439 S HA 0.102 4.670 4.470 0.164 0.000 0.219 1439 S C 1.668 176.396 174.600 0.215 0.000 1.036 1439 S CA 0.989 59.227 58.200 0.063 0.000 0.965 1439 S CB -0.409 62.816 63.200 0.042 0.000 0.864 1439 S HN 0.649 nan 8.310 nan 0.000 0.471 1440 F N 1.431 121.372 119.950 -0.015 0.000 2.204 1440 F HA 0.094 4.720 4.527 0.165 0.000 0.276 1440 F C 2.641 178.442 175.800 0.001 0.000 1.085 1440 F CA 0.218 58.217 58.000 -0.001 0.000 1.160 1440 F CB -0.243 38.749 39.000 -0.014 0.000 1.091 1440 F HN 0.124 nan 8.300 nan 0.000 0.522 1441 Q N 1.040 120.842 119.800 0.003 0.000 1.061 1441 Q HA -0.269 4.169 4.340 0.164 0.000 0.758 1441 Q C -0.355 175.600 176.000 -0.076 0.000 0.923 1441 Q CA 1.459 57.190 55.803 -0.121 0.000 0.875 1441 Q CB -0.596 28.096 28.738 -0.078 0.000 0.920 1441 Q HN 0.284 nan 8.270 nan 0.000 0.274 1442 N N -0.929 117.750 118.700 -0.035 0.000 2.296 1442 N HA 0.111 4.949 4.740 0.164 0.000 0.294 1442 N C 0.045 175.560 175.510 0.009 0.000 1.033 1442 N CA 0.370 53.416 53.050 -0.007 0.000 0.839 1442 N CB 1.765 40.255 38.487 0.006 0.000 1.395 1442 N HN 0.379 nan 8.380 nan 0.000 0.479 1443 T N -0.637 113.944 114.554 0.045 0.000 3.023 1443 T HA -0.048 4.400 4.350 0.164 0.000 0.266 1443 T C 1.289 175.967 174.700 -0.036 0.000 1.093 1443 T CA 1.347 63.507 62.100 0.100 0.000 1.129 1443 T CB -0.323 68.729 68.868 0.307 0.000 0.899 1443 T HN 0.420 nan 8.240 nan 0.000 0.491 1444 T N 0.975 115.420 114.554 -0.181 0.000 2.612 1444 T HA -0.053 4.395 4.350 0.164 0.000 0.259 1444 T C 1.550 176.094 174.700 -0.260 0.000 1.065 1444 T CA 1.552 63.353 62.100 -0.498 0.000 1.167 1444 T CB -0.738 67.869 68.868 -0.436 0.000 0.863 1444 T HN 0.699 nan 8.240 nan 0.000 0.407 1445 H N 0.394 119.346 119.070 -0.196 0.000 2.265 1445 H HA -0.140 4.515 4.556 0.165 0.000 0.293 1445 H C 2.263 177.552 175.328 -0.066 0.000 1.089 1445 H CA 1.611 57.594 56.048 -0.108 0.000 1.244 1445 H CB -0.271 29.445 29.762 -0.077 0.000 1.355 1445 H HN 0.054 nan 8.280 nan 0.000 0.485 1446 V N 0.641 120.563 119.914 0.014 0.000 2.233 1446 V HA -0.332 3.886 4.120 0.164 0.000 0.252 1446 V C 2.646 178.769 176.094 0.049 0.000 1.063 1446 V CA 2.107 64.394 62.300 -0.022 0.000 1.032 1446 V CB -0.621 31.193 31.823 -0.014 0.000 0.645 1446 V HN 0.328 nan 8.190 nan 0.000 0.446 1447 L N -0.389 120.892 121.223 0.097 0.000 2.093 1447 L HA -0.107 4.331 4.340 0.164 0.000 0.208 1447 L C 2.542 179.529 176.870 0.195 0.000 1.085 1447 L CA 2.184 57.132 54.840 0.180 0.000 0.755 1447 L CB -1.306 41.028 42.059 0.458 0.000 0.904 1447 L HN 0.386 nan 8.230 nan 0.000 0.435 1448 T N -0.982 113.677 114.554 0.176 0.000 2.580 1448 T HA -0.312 4.137 4.350 0.164 0.000 0.265 1448 T C 1.805 176.544 174.700 0.065 0.000 1.063 1448 T CA 1.860 64.099 62.100 0.232 0.000 1.170 1448 T CB -0.297 68.661 68.868 0.149 0.000 0.863 1448 T HN 0.337 nan 8.240 nan 0.000 0.418 1449 E N 0.918 121.150 120.200 0.054 0.000 2.058 1449 E HA -0.097 4.351 4.350 0.164 0.000 0.194 1449 E C 2.327 178.864 176.600 -0.106 0.000 0.997 1449 E CA 1.023 57.407 56.400 -0.027 0.000 0.801 1449 E CB -0.320 29.401 29.700 0.035 0.000 0.746 1449 E HN 0.476 nan 8.360 nan 0.000 0.450 1450 A N 0.534 123.292 122.820 -0.104 0.000 2.125 1450 A HA -0.069 4.350 4.320 0.164 0.000 0.219 1450 A C 2.170 179.575 177.584 -0.299 0.000 1.156 1450 A CA 1.535 53.432 52.037 -0.232 0.000 0.671 1450 A CB -0.550 18.228 19.000 -0.370 0.000 0.794 1450 A HN 0.399 nan 8.150 nan 0.000 0.459 1451 A N 0.157 122.877 122.820 -0.168 0.000 1.832 1451 A HA 0.060 4.478 4.320 0.164 0.000 0.214 1451 A C 1.890 179.363 177.584 -0.185 0.000 1.204 1451 A CA 1.446 53.425 52.037 -0.098 0.000 0.606 1451 A CB -0.660 18.410 19.000 0.116 0.000 0.849 1451 A HN 0.338 nan 8.150 nan 0.000 0.445 1452 I N 0.603 120.981 120.570 -0.321 0.000 2.074 1452 I HA -0.231 4.037 4.170 0.164 0.000 0.238 1452 I C 1.795 177.591 176.117 -0.536 0.000 1.037 1452 I CA 1.343 62.319 61.300 -0.540 0.000 1.301 1452 I CB -0.728 36.885 38.000 -0.645 0.000 1.016 1452 I HN 0.270 nan 8.210 nan 0.000 0.400 1453 A N 0.926 123.511 122.820 -0.392 0.000 2.539 1453 A HA 0.507 4.926 4.320 0.164 0.000 0.306 1453 A C 1.007 178.481 177.584 -0.184 0.000 1.392 1453 A CA 0.030 51.901 52.037 -0.277 0.000 1.060 1453 A CB -1.116 17.765 19.000 -0.199 0.000 1.134 1453 A HN 0.454 nan 8.150 nan 0.000 0.542 1454 G N 3.239 111.962 108.800 -0.128 0.000 2.384 1454 G HA2 0.013 4.071 3.960 0.164 0.000 0.289 1454 G HA3 0.013 4.071 3.960 0.164 0.000 0.289 1454 G C 0.306 175.159 174.900 -0.078 0.000 0.823 1454 G CA 0.016 45.068 45.100 -0.081 0.000 1.740 1454 G HN 0.583 nan 8.290 nan 0.000 0.422 1455 K N 1.617 121.914 120.400 -0.172 0.000 2.298 1455 K HA 0.163 4.581 4.320 0.164 0.000 0.280 1455 K C 0.431 177.132 176.600 0.168 0.000 1.032 1455 K CA 0.072 56.330 56.287 -0.050 0.000 0.958 1455 K CB 1.198 33.648 32.500 -0.083 0.000 0.978 1455 K HN 0.436 nan 8.250 nan 0.000 0.472 1456 K N 2.466 123.066 120.400 0.334 0.000 2.404 1456 K HA 0.097 4.515 4.320 0.164 0.000 0.257 1456 K C -0.599 176.213 176.600 0.353 0.000 1.026 1456 K CA -0.553 55.959 56.287 0.375 0.000 0.951 1456 K CB 1.056 33.662 32.500 0.176 0.000 1.203 1456 K HN 0.354 nan 8.250 nan 0.000 0.446 1457 D N 3.890 124.475 120.400 0.308 0.000 2.383 1457 D HA -0.033 4.705 4.640 0.164 0.000 0.245 1457 D C -0.351 175.868 176.300 -0.135 0.000 1.263 1457 D CA 0.158 54.029 54.000 -0.216 0.000 0.936 1457 D CB 0.590 40.769 40.800 -1.035 0.000 1.053 1457 D HN 0.324 nan 8.370 nan 0.000 0.507 1458 E N 3.528 123.691 120.200 -0.063 0.000 2.238 1458 E HA -0.004 4.444 4.350 0.164 0.000 0.264 1458 E C 0.271 176.810 176.600 -0.102 0.000 1.136 1458 E CA -0.164 56.208 56.400 -0.048 0.000 0.929 1458 E CB 0.667 30.360 29.700 -0.011 0.000 1.010 1458 E HN 0.491 nan 8.360 nan 0.000 0.440 1459 L N 5.486 126.650 121.223 -0.099 0.000 2.652 1459 L HA -0.036 4.403 4.340 0.164 0.000 0.284 1459 L C -0.094 176.718 176.870 -0.098 0.000 1.204 1459 L CA 0.364 55.134 54.840 -0.118 0.000 1.105 1459 L CB -0.685 41.319 42.059 -0.091 0.000 1.393 1459 L HN 0.353 nan 8.230 nan 0.000 0.452 1460 I N 0.518 121.010 120.570 -0.130 0.000 2.610 1460 I HA 0.950 5.218 4.170 0.164 0.000 0.289 1460 I C -0.082 175.928 176.117 -0.177 0.000 1.163 1460 I CA -0.604 60.626 61.300 -0.116 0.000 1.044 1460 I CB 1.924 39.884 38.000 -0.067 0.000 1.251 1460 I HN 0.308 nan 8.210 nan 0.000 0.424 1461 G N 4.064 112.761 108.800 -0.171 0.000 2.627 1461 G HA2 0.051 4.110 3.960 0.164 0.000 0.680 1461 G HA3 0.051 4.110 3.960 0.164 0.000 0.680 1461 G C -0.161 174.600 174.900 -0.232 0.000 1.341 1461 G CA -0.532 44.425 45.100 -0.238 0.000 0.835 1461 G HN 0.848 nan 8.290 nan 0.000 0.643 1462 L N 1.252 122.327 121.223 -0.247 0.000 1.994 1462 L HA -0.042 4.396 4.340 0.164 0.000 0.208 1462 L C 2.938 179.700 176.870 -0.179 0.000 1.071 1462 L CA 1.982 56.712 54.840 -0.182 0.000 0.745 1462 L CB -0.529 41.448 42.059 -0.136 0.000 0.892 1462 L HN 0.752 nan 8.230 nan 0.000 0.431 1463 K N 1.074 121.316 120.400 -0.263 0.000 1.977 1463 K HA -0.258 4.160 4.320 0.164 0.000 0.218 1463 K C 2.097 178.623 176.600 -0.123 0.000 1.051 1463 K CA 2.303 58.508 56.287 -0.136 0.000 0.953 1463 K CB -0.255 32.198 32.500 -0.078 0.000 0.727 1463 K HN 0.507 nan 8.250 nan 0.000 0.445 1464 E N 0.164 120.256 120.200 -0.179 0.000 2.065 1464 E HA -0.302 4.147 4.350 0.164 0.000 0.201 1464 E C 1.855 178.368 176.600 -0.145 0.000 1.016 1464 E CA 1.985 58.275 56.400 -0.182 0.000 0.818 1464 E CB -0.681 28.866 29.700 -0.255 0.000 0.749 1464 E HN 0.481 nan 8.360 nan 0.000 0.453 1465 N N 0.020 118.633 118.700 -0.144 0.000 2.520 1465 N HA -0.084 4.755 4.740 0.164 0.000 0.185 1465 N C 1.652 177.115 175.510 -0.079 0.000 1.068 1465 N CA 0.387 53.371 53.050 -0.110 0.000 0.911 1465 N CB 0.234 38.655 38.487 -0.111 0.000 0.961 1465 N HN 0.019 nan 8.380 nan 0.000 0.446 1466 V N 1.051 120.923 119.914 -0.071 0.000 2.307 1466 V HA -0.198 4.020 4.120 0.164 0.000 0.245 1466 V C 2.004 178.086 176.094 -0.021 0.000 1.045 1466 V CA 1.083 63.357 62.300 -0.043 0.000 1.024 1466 V CB -0.296 31.509 31.823 -0.030 0.000 0.651 1466 V HN 0.348 nan 8.190 nan 0.000 0.449 1467 I N -0.287 120.278 120.570 -0.008 0.000 2.163 1467 I HA -0.282 3.987 4.170 0.164 0.000 0.243 1467 I C 2.449 178.574 176.117 0.014 0.000 1.085 1467 I CA 1.693 63.011 61.300 0.030 0.000 1.347 1467 I CB -1.514 36.532 38.000 0.076 0.000 1.044 1467 I HN 0.283 nan 8.210 nan 0.000 0.408 1468 L N 1.104 122.319 121.223 -0.014 0.000 2.189 1468 L HA -0.178 4.261 4.340 0.164 0.000 0.214 1468 L C 1.679 178.537 176.870 -0.021 0.000 1.097 1468 L CA 1.528 56.356 54.840 -0.020 0.000 0.764 1468 L CB -0.523 41.511 42.059 -0.042 0.000 0.900 1468 L HN 0.585 nan 8.230 nan 0.000 0.436 1469 G N -0.222 108.563 108.800 -0.024 0.000 2.148 1469 G HA2 -0.337 3.722 3.960 0.164 0.000 0.254 1469 G HA3 -0.337 3.722 3.960 0.164 0.000 0.254 1469 G C 0.413 175.288 174.900 -0.041 0.000 0.981 1469 G CA 0.495 45.579 45.100 -0.026 0.000 0.670 1469 G HN 0.436 nan 8.290 nan 0.000 0.528 1470 R N -0.895 119.576 120.500 -0.048 0.000 2.543 1470 R HA 0.648 5.086 4.340 0.164 0.000 0.268 1470 R C 0.597 176.851 176.300 -0.076 0.000 1.067 1470 R CA -0.968 55.096 56.100 -0.060 0.000 1.142 1470 R CB 0.310 30.578 30.300 -0.055 0.000 1.110 1470 R HN 0.154 nan 8.270 nan 0.000 0.549 1471 L N 3.376 124.541 121.223 -0.096 0.000 2.540 1471 L HA 0.058 4.496 4.340 0.164 0.000 0.276 1471 L C -0.578 176.228 176.870 -0.106 0.000 1.212 1471 L CA 0.260 55.027 54.840 -0.122 0.000 0.893 1471 L CB 0.214 42.172 42.059 -0.168 0.000 1.138 1471 L HN 0.395 nan 8.230 nan 0.000 0.491 1472 I N 4.584 125.094 120.570 -0.101 0.000 2.752 1472 I HA 0.141 4.410 4.170 0.164 0.000 0.287 1472 I C -1.628 174.436 176.117 -0.089 0.000 1.188 1472 I CA -1.646 59.600 61.300 -0.090 0.000 1.427 1472 I CB -0.670 37.282 38.000 -0.080 0.000 1.365 1472 I HN 0.515 nan 8.210 nan 0.000 0.585 1473 P HA -0.052 nan 4.420 nan 0.000 0.223 1473 P C 0.159 177.430 177.300 -0.049 0.000 1.144 1473 P CA 1.540 64.603 63.100 -0.061 0.000 0.783 1473 P CB 0.166 31.829 31.700 -0.061 0.000 0.771 1474 A N -1.480 121.305 122.820 -0.057 0.000 2.452 1474 A HA 0.692 5.111 4.320 0.164 0.000 0.285 1474 A C 1.247 178.803 177.584 -0.046 0.000 1.209 1474 A CA -0.015 51.996 52.037 -0.043 0.000 0.940 1474 A CB -0.118 18.854 19.000 -0.047 0.000 1.440 1474 A HN 0.271 nan 8.150 nan 0.000 0.480 1475 G N -0.827 107.953 108.800 -0.033 0.000 2.602 1475 G HA2 -0.319 3.739 3.960 0.164 0.000 0.310 1475 G HA3 -0.319 3.739 3.960 0.164 0.000 0.310 1475 G C 1.051 175.934 174.900 -0.030 0.000 1.183 1475 G CA 1.248 46.330 45.100 -0.030 0.000 0.979 1475 G HN 1.337 nan 8.290 nan 0.000 0.545 1476 T N 1.633 116.157 114.554 -0.050 0.000 3.054 1476 T HA 0.270 4.718 4.350 0.164 0.000 0.259 1476 T C 2.341 176.969 174.700 -0.121 0.000 1.092 1476 T CA 1.654 63.721 62.100 -0.055 0.000 1.121 1476 T CB -0.458 68.385 68.868 -0.041 0.000 0.912 1476 T HN 1.141 nan 8.240 nan 0.000 0.489 1477 G N 2.018 110.737 108.800 -0.135 0.000 2.470 1477 G HA2 -0.108 3.950 3.960 0.164 0.000 0.220 1477 G HA3 -0.108 3.950 3.960 0.164 0.000 0.220 1477 G C 0.840 175.660 174.900 -0.134 0.000 1.121 1477 G CA 0.612 45.613 45.100 -0.164 0.000 0.766 1477 G HN 0.616 nan 8.290 nan 0.000 0.553 1478 S N 1.441 117.102 115.700 -0.065 0.000 3.746 1478 S HA -0.113 4.455 4.470 0.164 0.000 0.446 1478 S C 0.867 175.479 174.600 0.020 0.000 1.133 1478 S CA 0.586 58.792 58.200 0.011 0.000 1.060 1478 S CB 0.300 63.546 63.200 0.077 0.000 0.729 1478 S HN 0.313 nan 8.310 nan 0.000 0.510 1479 D N 2.323 122.771 120.400 0.079 0.000 2.254 1479 D HA -0.170 4.569 4.640 0.164 0.000 0.201 1479 D C 1.100 177.610 176.300 0.350 0.000 0.998 1479 D CA 1.212 55.339 54.000 0.211 0.000 0.885 1479 D CB -0.368 40.582 40.800 0.250 0.000 0.915 1479 D HN 0.690 nan 8.370 nan 0.000 0.460 1480 F N 0.766 120.767 119.950 0.084 0.000 2.171 1480 F HA -0.146 4.482 4.527 0.168 0.000 0.300 1480 F C 1.876 177.728 175.800 0.087 0.000 1.090 1480 F CA 0.972 59.025 58.000 0.088 0.000 1.293 1480 F CB 0.066 39.090 39.000 0.040 0.000 1.013 1480 F HN -0.148 nan 8.300 nan 0.000 0.486 1481 V N -0.786 119.099 119.914 -0.047 0.000 3.485 1481 V HA 0.112 4.331 4.120 0.164 0.000 0.280 1481 V C 1.961 177.945 176.094 -0.184 0.000 1.495 1481 V CA 0.502 62.696 62.300 -0.178 0.000 1.018 1481 V CB -0.115 31.572 31.823 -0.226 0.000 0.818 1481 V HN 0.149 nan 8.190 nan 0.000 0.436 1482 R N 1.258 121.537 120.500 -0.369 0.000 2.226 1482 R HA -0.151 4.288 4.340 0.164 0.000 0.246 1482 R C -0.083 175.811 176.300 -0.676 0.000 1.161 1482 R CA 1.641 57.365 56.100 -0.627 0.000 0.997 1482 R CB -0.114 29.602 30.300 -0.974 0.000 0.870 1482 R HN 0.464 nan 8.270 nan 0.000 0.465 1483 F N -0.009 119.951 119.950 0.017 0.000 2.366 1483 F HA 0.425 4.969 4.527 0.029 0.000 0.366 1483 F C -0.609 175.188 175.800 -0.006 0.000 1.096 1483 F CA -0.789 57.220 58.000 0.016 0.000 1.060 1483 F CB 2.037 41.047 39.000 0.016 0.000 1.282 1483 F HN -0.291 nan 8.300 nan 0.000 0.450 1484 T N 2.866 117.487 114.554 0.113 0.000 2.993 1484 T HA 0.369 4.818 4.350 0.164 0.000 0.312 1484 T C -1.004 173.720 174.700 0.040 0.000 1.115 1484 T CA -0.963 61.165 62.100 0.047 0.000 1.027 1484 T CB 2.109 70.968 68.868 -0.015 0.000 1.116 1484 T HN 0.319 nan 8.240 nan 0.000 0.464 1485 Q N 1.760 121.575 119.800 0.026 0.000 2.309 1485 Q HA 0.710 5.148 4.340 0.164 0.000 0.264 1485 Q C -0.446 175.551 176.000 -0.005 0.000 1.008 1485 Q CA -1.005 54.808 55.803 0.017 0.000 0.853 1485 Q CB 2.593 31.346 28.738 0.024 0.000 1.314 1485 Q HN 0.623 nan 8.270 nan 0.000 0.448 1486 V N -1.100 118.807 119.914 -0.011 0.000 2.495 1486 V HA 0.887 5.105 4.120 0.164 0.000 0.298 1486 V C -0.208 175.878 176.094 -0.013 0.000 1.031 1486 V CA -0.643 61.644 62.300 -0.021 0.000 0.871 1486 V CB 1.579 33.381 31.823 -0.036 0.000 0.988 1486 V HN 0.528 nan 8.190 nan 0.000 0.432 1487 V N 2.711 122.617 119.914 -0.013 0.000 3.160 1487 V HA 0.651 4.870 4.120 0.164 0.000 0.310 1487 V C -1.422 174.666 176.094 -0.011 0.000 1.181 1487 V CA -0.688 61.607 62.300 -0.009 0.000 1.047 1487 V CB 2.443 34.263 31.823 -0.005 0.000 1.068 1487 V HN 1.062 nan 8.190 nan 0.000 0.441 1488 D N 0.926 121.321 120.400 -0.008 0.000 2.505 1488 D HA 0.291 5.030 4.640 0.164 0.000 0.249 1488 D C 0.365 176.662 176.300 -0.006 0.000 1.082 1488 D CA -0.736 53.259 54.000 -0.008 0.000 0.839 1488 D CB 1.955 42.751 40.800 -0.008 0.000 1.317 1488 D HN 0.333 nan 8.370 nan 0.000 0.497 1489 Q N 1.257 121.053 119.800 -0.006 0.000 2.344 1489 Q HA -0.215 4.224 4.340 0.164 0.000 0.212 1489 Q C 1.254 177.252 176.000 -0.004 0.000 0.991 1489 Q CA 1.475 57.275 55.803 -0.005 0.000 0.897 1489 Q CB -0.273 28.462 28.738 -0.005 0.000 0.915 1489 Q HN 0.580 nan 8.270 nan 0.000 0.438 1490 K N -0.489 119.909 120.400 -0.004 0.000 2.062 1490 K HA -0.013 4.406 4.320 0.164 0.000 0.205 1490 K C 1.978 178.577 176.600 -0.002 0.000 1.051 1490 K CA 1.437 57.722 56.287 -0.003 0.000 0.941 1490 K CB 0.073 32.571 32.500 -0.003 0.000 0.719 1490 K HN 0.102 nan 8.250 nan 0.000 0.440 1491 T N 1.595 116.148 114.554 -0.002 0.000 3.067 1491 T HA 0.061 4.509 4.350 0.164 0.000 0.257 1491 T C 1.482 176.182 174.700 -0.000 0.000 1.105 1491 T CA 0.153 62.252 62.100 -0.001 0.000 1.104 1491 T CB 0.144 69.011 68.868 -0.001 0.000 0.925 1491 T HN 0.038 nan 8.240 nan 0.000 0.498 1492 L N 1.760 122.982 121.223 -0.001 0.000 2.023 1492 L HA 0.034 4.472 4.340 0.164 0.000 0.205 1492 L C 2.134 179.003 176.870 -0.000 0.000 1.073 1492 L CA 1.819 56.658 54.840 -0.001 0.000 0.745 1492 L CB -0.540 41.518 42.059 -0.002 0.000 0.900 1492 L HN 0.177 nan 8.230 nan 0.000 0.435 1493 K N -0.078 120.321 120.400 -0.001 0.000 2.280 1493 K HA -0.082 4.337 4.320 0.164 0.000 0.202 1493 K C 1.834 178.434 176.600 0.000 0.000 1.047 1493 K CA 1.089 57.375 56.287 -0.000 0.000 0.942 1493 K CB -0.133 32.367 32.500 -0.001 0.000 0.739 1493 K HN 0.328 nan 8.250 nan 0.000 0.457 1494 A N 1.383 124.203 122.820 0.000 0.000 2.066 1494 A HA -0.053 4.366 4.320 0.164 0.000 0.218 1494 A C 1.985 179.570 177.584 0.001 0.000 1.157 1494 A CA 0.698 52.736 52.037 0.001 0.000 0.670 1494 A CB -0.189 18.811 19.000 0.001 0.000 0.804 1494 A HN 0.066 nan 8.150 nan 0.000 0.453 1495 I N 0.024 120.595 120.570 0.001 0.000 2.500 1495 I HA -0.115 4.154 4.170 0.164 0.000 0.252 1495 I C 2.304 178.422 176.117 0.002 0.000 1.142 1495 I CA 1.691 62.993 61.300 0.002 0.000 1.451 1495 I CB -0.986 37.016 38.000 0.002 0.000 1.093 1495 I HN 0.575 nan 8.210 nan 0.000 0.430 1496 E N 1.561 121.761 120.200 0.001 0.000 2.208 1496 E HA -0.177 4.271 4.350 0.164 0.000 0.193 1496 E C 1.772 178.373 176.600 0.001 0.000 0.988 1496 E CA 1.180 57.580 56.400 0.001 0.000 0.828 1496 E CB -0.092 29.609 29.700 0.001 0.000 0.763 1496 E HN 0.392 nan 8.360 nan 0.000 0.478 1497 E N 0.004 120.205 120.200 0.001 0.000 2.285 1497 E HA -0.033 4.415 4.350 0.164 0.000 0.194 1497 E C 1.752 178.353 176.600 0.002 0.000 0.997 1497 E CA 0.813 57.214 56.400 0.001 0.000 0.845 1497 E CB 0.093 29.794 29.700 0.001 0.000 0.782 1497 E HN 0.443 nan 8.360 nan 0.000 0.491 1498 A N 1.291 124.112 122.820 0.002 0.000 2.072 1498 A HA 0.008 4.427 4.320 0.164 0.000 0.216 1498 A C 1.525 179.110 177.584 0.002 0.000 1.156 1498 A CA 0.154 52.192 52.037 0.002 0.000 0.701 1498 A CB 0.044 19.046 19.000 0.003 0.000 0.816 1498 A HN -0.013 nan 8.150 nan 0.000 0.458 1499 R N 0.000 120.501 120.500 0.002 0.000 2.786 1499 R HA 0.000 4.438 4.340 0.164 0.000 0.208 1499 R CA 0.000 56.101 56.100 0.002 0.000 0.921 1499 R CB 0.000 30.301 30.300 0.002 0.000 0.687 1499 R HN 0.000 nan 8.270 nan 0.000 0.535