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 1a9x_1_F DATA FIRST_RESID 5502 DATA SEQUENCE IKSALLVLED GTQFHGRAIG ATGSAVGEVV FNTSMTGYQE ILTDPSYSRQ DATA SEQUENCE IVTLTYPHIG NVGTNDADEE SSQVHAQGLV IRDLPLIASN FRNTEDLSSY DATA SEQUENCE LKRHNIVAIA DIDTRKLTRL LREKGAQNGC IIAGDNPDAA LALEKARAFP DATA SEQUENCE GLNGMDLAKE VTTAEAYSWT QGSWTLTGGL PQAKKEDELP FHVVAYDFGA DATA SEQUENCE KRNILRMLVD RGCRLTIVPA QTSAEDVLKM NPDGIFLSNG PGDPAPCDYA DATA SEQUENCE ITAIQKFLET DIPVFGIXLG HQLLALASGA KTVKMKFGHH GGNHPVKDVE DATA SEQUENCE KNVVMITAQN HGFAVDEATL PANLRVTHKS LFDGTLQGIH RTDKPAFSFQ DATA SEQUENCE GNPEASPGPH DAAPLFDHFI ELIEQYRKT 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 5502 I HA 0.000 nan 4.170 nan 0.000 0.288 5502 I C 0.000 176.120 176.117 0.004 0.000 1.063 5502 I CA 0.000 61.301 61.300 0.002 0.000 1.566 5502 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 5503 K N 5.257 125.661 120.400 0.006 0.000 2.300 5503 K HA 0.504 4.824 4.320 0.000 0.000 0.264 5503 K C -0.454 176.154 176.600 0.013 0.000 1.083 5503 K CA -0.321 55.971 56.287 0.008 0.000 0.958 5503 K CB 1.304 33.808 32.500 0.007 0.000 1.318 5503 K HN 0.470 nan 8.250 nan 0.000 0.448 5504 S N 1.518 117.228 115.700 0.017 0.000 2.584 5504 S HA 0.637 5.107 4.470 0.000 0.000 0.273 5504 S C -0.373 174.245 174.600 0.030 0.000 1.311 5504 S CA -0.712 57.505 58.200 0.028 0.000 1.034 5504 S CB 1.387 64.608 63.200 0.034 0.000 0.939 5504 S HN 0.657 nan 8.310 nan 0.000 0.513 5505 A N 1.557 124.403 122.820 0.043 0.000 2.572 5505 A HA 0.837 5.157 4.320 0.000 0.000 0.295 5505 A C -1.613 176.004 177.584 0.055 0.000 1.072 5505 A CA -0.685 51.374 52.037 0.035 0.000 0.691 5505 A CB 1.351 20.360 19.000 0.015 0.000 1.291 5505 A HN 0.790 nan 8.150 nan 0.000 0.404 5506 L N 0.914 122.156 121.223 0.031 0.000 2.513 5506 L HA 0.824 5.164 4.340 0.000 0.000 0.261 5506 L C -2.155 174.708 176.870 -0.011 0.000 0.945 5506 L CA -0.497 54.347 54.840 0.007 0.000 0.848 5506 L CB 2.020 44.101 42.059 0.036 0.000 1.334 5506 L HN 0.870 nan 8.230 nan 0.000 0.407 5507 L N 5.545 126.763 121.223 -0.008 0.000 2.313 5507 L HA 0.842 5.182 4.340 0.000 0.000 0.283 5507 L C -1.435 175.479 176.870 0.073 0.000 1.013 5507 L CA -0.303 54.553 54.840 0.026 0.000 0.816 5507 L CB 1.841 43.909 42.059 0.014 0.000 1.236 5507 L HN 0.437 nan 8.230 nan 0.000 0.419 5508 V N 6.217 126.156 119.914 0.042 0.000 2.487 5508 V HA 0.465 4.586 4.120 0.000 0.000 0.298 5508 V C 0.056 176.184 176.094 0.057 0.000 1.028 5508 V CA -0.660 61.667 62.300 0.044 0.000 0.860 5508 V CB 1.496 33.325 31.823 0.010 0.000 0.991 5508 V HN 0.646 nan 8.190 nan 0.000 0.427 5509 L N 3.241 124.518 121.223 0.090 0.000 2.379 5509 L HA 0.434 4.774 4.340 0.000 0.000 0.269 5509 L C 1.557 178.462 176.870 0.058 0.000 1.084 5509 L CA -0.537 54.350 54.840 0.078 0.000 0.802 5509 L CB 1.471 43.602 42.059 0.120 0.000 1.175 5509 L HN 0.745 nan 8.230 nan 0.000 0.448 5510 E N 0.585 120.819 120.200 0.057 0.000 2.171 5510 E HA -0.278 4.072 4.350 0.000 0.000 0.197 5510 E C 0.946 177.572 176.600 0.044 0.000 0.997 5510 E CA 1.504 57.937 56.400 0.055 0.000 0.810 5510 E CB -0.211 29.529 29.700 0.066 0.000 0.738 5510 E HN 0.770 nan 8.360 nan 0.000 0.467 5511 D N -0.029 120.398 120.400 0.045 0.000 2.371 5511 D HA -0.051 4.589 4.640 0.000 0.000 0.221 5511 D C 1.475 177.787 176.300 0.021 0.000 0.986 5511 D CA 1.020 55.040 54.000 0.034 0.000 0.899 5511 D CB 0.101 40.922 40.800 0.036 0.000 0.902 5511 D HN 0.331 nan 8.370 nan 0.000 0.530 5512 G N -0.813 108.000 108.800 0.022 0.000 2.213 5512 G HA2 -0.255 3.705 3.960 0.000 0.000 0.236 5512 G HA3 -0.255 3.705 3.960 0.000 0.000 0.236 5512 G C 0.451 175.338 174.900 -0.022 0.000 0.991 5512 G CA 0.217 45.319 45.100 0.004 0.000 0.629 5512 G HN 0.479 nan 8.290 nan 0.000 0.517 5513 T N 2.075 116.614 114.554 -0.024 0.000 2.908 5513 T HA 0.416 4.766 4.350 0.000 0.000 0.301 5513 T C 0.343 174.943 174.700 -0.168 0.000 1.019 5513 T CA 0.614 62.644 62.100 -0.116 0.000 1.152 5513 T CB 1.103 69.928 68.868 -0.071 0.000 0.966 5513 T HN 0.473 nan 8.240 nan 0.000 0.540 5514 Q N 1.380 120.973 119.800 -0.345 0.000 2.274 5514 Q HA 0.533 4.873 4.340 0.000 0.000 0.260 5514 Q C -1.190 174.397 176.000 -0.689 0.000 0.974 5514 Q CA -0.570 55.004 55.803 -0.383 0.000 0.876 5514 Q CB 1.508 30.057 28.738 -0.315 0.000 1.297 5514 Q HN 0.573 nan 8.270 nan 0.000 0.446 5515 F N 1.578 121.302 119.950 -0.377 0.000 2.496 5515 F HA 0.287 4.814 4.527 0.000 0.000 0.341 5515 F C -0.205 175.367 175.800 -0.380 0.000 1.134 5515 F CA -0.766 57.061 58.000 -0.288 0.000 0.968 5515 F CB 1.171 40.077 39.000 -0.157 0.000 1.205 5515 F HN 0.406 nan 8.300 nan 0.000 0.436 5516 H N 2.419 121.534 119.070 0.075 0.000 2.552 5516 H HA 0.666 5.222 4.556 0.000 0.000 0.311 5516 H C 0.311 175.663 175.328 0.040 0.000 1.071 5516 H CA -0.285 55.787 56.048 0.039 0.000 1.307 5516 H CB 1.438 31.200 29.762 -0.000 0.000 1.416 5516 H HN 0.858 nan 8.280 nan 0.000 0.464 5517 G N 2.023 110.898 108.800 0.125 0.000 2.976 5517 G HA2 0.364 4.324 3.960 0.000 0.000 0.276 5517 G HA3 0.364 4.324 3.960 0.000 0.000 0.276 5517 G C -0.962 173.966 174.900 0.048 0.000 1.207 5517 G CA -0.845 44.297 45.100 0.071 0.000 0.803 5517 G HN 0.445 nan 8.290 nan 0.000 0.572 5518 R N -0.029 120.484 120.500 0.022 0.000 2.393 5518 R HA 0.649 4.989 4.340 0.000 0.000 0.310 5518 R C 0.029 176.332 176.300 0.004 0.000 0.968 5518 R CA -0.375 55.732 56.100 0.012 0.000 0.867 5518 R CB 1.381 31.683 30.300 0.003 0.000 1.124 5518 R HN 0.693 nan 8.270 nan 0.000 0.450 5519 A N 4.929 127.753 122.820 0.006 0.000 2.401 5519 A HA 0.287 4.607 4.320 0.000 0.000 0.259 5519 A C 0.798 178.381 177.584 -0.001 0.000 1.103 5519 A CA -0.363 51.675 52.037 0.002 0.000 0.789 5519 A CB -0.111 18.892 19.000 0.005 0.000 1.035 5519 A HN 0.936 nan 8.150 nan 0.000 0.491 5520 I N -0.408 120.159 120.570 -0.004 0.000 4.442 5520 I HA 0.463 4.633 4.170 0.000 0.000 0.331 5520 I C 0.565 176.686 176.117 0.007 0.000 1.364 5520 I CA 0.112 61.411 61.300 -0.001 0.000 1.207 5520 I CB 0.178 38.172 38.000 -0.010 0.000 1.298 5520 I HN 0.572 nan 8.210 nan 0.000 0.463 5521 G N 1.285 110.087 108.800 0.004 0.000 3.264 5521 G HA2 0.767 4.727 3.960 0.000 0.000 0.168 5521 G HA3 0.767 4.727 3.960 0.000 0.000 0.168 5521 G C -0.563 174.339 174.900 0.005 0.000 1.145 5521 G CA -0.099 45.006 45.100 0.010 0.000 0.855 5521 G HN 0.285 nan 8.290 nan 0.000 0.629 5522 A N -0.811 122.009 122.820 0.000 0.000 2.313 5522 A HA 0.622 4.942 4.320 0.000 0.000 0.261 5522 A C 0.456 178.038 177.584 -0.003 0.000 1.090 5522 A CA 0.138 52.173 52.037 -0.003 0.000 0.807 5522 A CB 0.010 19.006 19.000 -0.008 0.000 1.055 5522 A HN 0.508 nan 8.150 nan 0.000 0.492 5523 T N 0.358 114.910 114.554 -0.003 0.000 2.889 5523 T HA 0.611 4.961 4.350 0.000 0.000 0.291 5523 T C 0.639 175.338 174.700 -0.003 0.000 0.995 5523 T CA 0.948 63.047 62.100 -0.001 0.000 1.092 5523 T CB 0.973 69.841 68.868 0.000 0.000 0.954 5523 T HN 1.903 nan 8.240 nan 0.000 0.506 5524 G N 1.602 110.402 108.800 -0.001 0.000 2.278 5524 G HA2 0.342 4.302 3.960 0.000 0.000 0.265 5524 G HA3 0.342 4.302 3.960 0.000 0.000 0.265 5524 G C -0.776 174.122 174.900 -0.004 0.000 1.329 5524 G CA -0.187 44.912 45.100 -0.002 0.000 1.017 5524 G HN 1.222 nan 8.290 nan 0.000 0.472 5525 S N -0.972 114.724 115.700 -0.007 0.000 2.595 5525 S HA 1.018 5.488 4.470 0.000 0.000 0.281 5525 S C -0.402 174.185 174.600 -0.022 0.000 1.117 5525 S CA 0.626 58.818 58.200 -0.012 0.000 0.873 5525 S CB 1.857 65.053 63.200 -0.006 0.000 1.108 5525 S HN 2.575 nan 8.310 nan 0.000 0.477 5526 A N 1.250 124.048 122.820 -0.038 0.000 2.486 5526 A HA 0.792 5.112 4.320 0.000 0.000 0.300 5526 A C -1.372 176.153 177.584 -0.098 0.000 1.048 5526 A CA -0.735 51.267 52.037 -0.060 0.000 0.696 5526 A CB 1.709 20.673 19.000 -0.059 0.000 1.278 5526 A HN 1.339 nan 8.150 nan 0.000 0.405 5527 V N 0.993 120.814 119.914 -0.155 0.000 2.577 5527 V HA 0.920 5.040 4.120 0.000 0.000 0.303 5527 V C 0.479 176.222 176.094 -0.584 0.000 1.042 5527 V CA 0.339 62.467 62.300 -0.288 0.000 0.872 5527 V CB 1.315 33.021 31.823 -0.196 0.000 0.998 5527 V HN 1.844 nan 8.190 nan 0.000 0.423 5528 G N 2.917 111.282 108.800 -0.724 0.000 2.428 5528 G HA2 0.484 4.444 3.960 0.000 0.000 0.304 5528 G HA3 0.484 4.444 3.960 0.000 0.000 0.304 5528 G C -1.658 172.943 174.900 -0.499 0.000 1.303 5528 G CA -0.628 43.929 45.100 -0.905 0.000 0.825 5528 G HN 0.707 nan 8.290 nan 0.000 0.484 5529 E N -0.329 119.756 120.200 -0.192 0.000 2.259 5529 E HA 0.488 4.838 4.350 0.000 0.000 0.281 5529 E C -0.356 176.225 176.600 -0.030 0.000 1.027 5529 E CA -0.510 55.898 56.400 0.013 0.000 0.838 5529 E CB 1.302 31.081 29.700 0.132 0.000 1.066 5529 E HN 0.274 nan 8.360 nan 0.000 0.401 5530 V N 5.636 125.533 119.914 -0.028 0.000 2.432 5530 V HA 0.314 4.434 4.120 0.000 0.000 0.275 5530 V C 0.182 176.249 176.094 -0.045 0.000 1.043 5530 V CA -0.476 61.793 62.300 -0.051 0.000 0.925 5530 V CB 0.776 32.562 31.823 -0.061 0.000 0.985 5530 V HN 0.556 nan 8.190 nan 0.000 0.466 5531 V N 2.618 122.476 119.914 -0.093 0.000 3.040 5531 V HA 0.831 4.951 4.120 0.000 0.000 0.312 5531 V C -0.860 175.164 176.094 -0.116 0.000 1.115 5531 V CA -1.030 61.156 62.300 -0.190 0.000 0.998 5531 V CB 2.029 33.567 31.823 -0.476 0.000 1.042 5531 V HN 0.746 nan 8.190 nan 0.000 0.433 5532 F N 1.096 120.948 119.950 -0.163 0.000 2.508 5532 F HA 0.798 5.326 4.527 0.000 0.000 0.325 5532 F C -0.642 175.155 175.800 -0.005 0.000 1.090 5532 F CA -0.945 56.993 58.000 -0.105 0.000 0.945 5532 F CB 1.699 40.633 39.000 -0.111 0.000 1.156 5532 F HN 0.676 nan 8.300 nan 0.000 0.463 5533 N N 1.934 120.767 118.700 0.220 0.000 2.399 5533 N HA 0.166 4.907 4.740 0.000 0.000 0.284 5533 N C 0.160 175.837 175.510 0.278 0.000 1.025 5533 N CA -0.128 53.065 53.050 0.238 0.000 0.885 5533 N CB 2.123 40.711 38.487 0.169 0.000 1.339 5533 N HN 0.921 nan 8.380 nan 0.000 0.487 5534 T N -0.702 114.038 114.554 0.311 0.000 3.194 5534 T HA 0.104 4.454 4.350 0.000 0.000 0.251 5534 T C 0.211 175.036 174.700 0.207 0.000 1.132 5534 T CA -0.197 62.059 62.100 0.262 0.000 1.028 5534 T CB -0.406 68.630 68.868 0.280 0.000 0.976 5534 T HN 0.292 nan 8.240 nan 0.000 0.535 5535 S N 2.072 117.888 115.700 0.194 0.000 2.515 5535 S HA 0.228 4.698 4.470 0.000 0.000 0.285 5535 S C 1.089 175.773 174.600 0.141 0.000 1.265 5535 S CA -0.304 57.988 58.200 0.154 0.000 1.079 5535 S CB 0.395 63.682 63.200 0.145 0.000 0.877 5535 S HN 0.439 nan 8.310 nan 0.000 0.493 5536 M N 2.007 121.645 119.600 0.063 0.000 2.506 5536 M HA -0.003 4.477 4.480 0.000 0.000 0.260 5536 M C 0.821 177.091 176.300 -0.050 0.000 1.104 5536 M CA 0.513 55.773 55.300 -0.067 0.000 1.112 5536 M CB -0.232 32.208 32.600 -0.268 0.000 1.401 5536 M HN 0.748 nan 8.290 nan 0.000 0.473 5537 T N -3.846 110.721 114.554 0.023 0.000 2.883 5537 T HA 0.673 5.023 4.350 0.000 0.000 0.296 5537 T C 0.616 175.331 174.700 0.024 0.000 1.117 5537 T CA -0.144 61.974 62.100 0.029 0.000 1.006 5537 T CB 1.966 70.817 68.868 -0.029 0.000 1.191 5537 T HN 0.282 nan 8.240 nan 0.000 0.508 5538 G N 0.508 109.254 108.800 -0.090 0.000 2.132 5538 G HA2 -0.318 3.643 3.960 0.000 0.000 0.228 5538 G HA3 -0.318 3.643 3.960 0.000 0.000 0.228 5538 G C 0.471 175.289 174.900 -0.138 0.000 1.000 5538 G CA 0.756 45.763 45.100 -0.155 0.000 0.693 5538 G HN 1.361 nan 8.290 nan 0.000 0.515 5539 Y N -1.302 118.989 120.300 -0.015 0.000 2.193 5539 Y HA -0.187 4.363 4.550 0.000 0.000 0.285 5539 Y C 2.471 178.342 175.900 -0.048 0.000 1.166 5539 Y CA 2.107 60.191 58.100 -0.026 0.000 1.181 5539 Y CB -0.647 37.804 38.460 -0.016 0.000 0.976 5539 Y HN 0.447 nan 8.280 nan 0.000 0.520 5540 Q N 0.612 120.189 119.800 -0.372 0.000 2.079 5540 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 5540 Q C 1.820 177.763 176.000 -0.095 0.000 0.974 5540 Q CA 1.991 57.668 55.803 -0.210 0.000 0.840 5540 Q CB -0.017 28.485 28.738 -0.392 0.000 0.898 5540 Q HN 0.675 nan 8.270 nan 0.000 0.430 5541 E N 0.455 120.585 120.200 -0.117 0.000 2.110 5541 E HA -0.161 4.189 4.350 0.000 0.000 0.193 5541 E C 1.850 178.490 176.600 0.067 0.000 0.988 5541 E CA 1.240 57.625 56.400 -0.025 0.000 0.804 5541 E CB -0.076 29.598 29.700 -0.043 0.000 0.745 5541 E HN 0.392 nan 8.360 nan 0.000 0.458 5542 I N 0.436 121.043 120.570 0.062 0.000 2.142 5542 I HA -0.283 3.887 4.170 0.000 0.000 0.240 5542 I C 2.100 178.251 176.117 0.057 0.000 1.078 5542 I CA 1.004 62.369 61.300 0.109 0.000 1.343 5542 I CB -0.174 37.843 38.000 0.029 0.000 1.046 5542 I HN 0.117 nan 8.210 nan 0.000 0.405 5543 L N 0.182 121.416 121.223 0.019 0.000 2.081 5543 L HA -0.229 4.111 4.340 0.000 0.000 0.212 5543 L C 2.452 179.391 176.870 0.116 0.000 1.080 5543 L CA 2.045 56.903 54.840 0.031 0.000 0.754 5543 L CB -1.034 41.066 42.059 0.068 0.000 0.893 5543 L HN 0.452 nan 8.230 nan 0.000 0.433 5544 T N -4.586 110.053 114.554 0.141 0.000 3.129 5544 T HA -0.007 4.344 4.350 0.000 0.000 0.251 5544 T C 0.565 175.434 174.700 0.281 0.000 1.117 5544 T CA -0.359 61.854 62.100 0.188 0.000 1.034 5544 T CB -0.287 68.658 68.868 0.129 0.000 0.968 5544 T HN 0.057 nan 8.240 nan 0.000 0.526 5545 D N 2.677 123.256 120.400 0.299 0.000 2.348 5545 D HA 0.184 4.824 4.640 0.000 0.000 0.253 5545 D C -1.739 174.697 176.300 0.227 0.000 1.161 5545 D CA -2.472 51.687 54.000 0.265 0.000 0.876 5545 D CB 1.855 42.859 40.800 0.340 0.000 1.160 5545 D HN 0.006 nan 8.370 nan 0.000 0.459 5546 P HA -0.026 nan 4.420 nan 0.000 0.226 5546 P C 1.169 178.388 177.300 -0.135 0.000 1.153 5546 P CA 0.522 63.406 63.100 -0.361 0.000 0.777 5546 P CB 0.285 31.678 31.700 -0.511 0.000 0.794 5547 S N -1.413 114.237 115.700 -0.083 0.000 2.440 5547 S HA -0.158 4.312 4.470 0.000 0.000 0.238 5547 S C 1.067 175.570 174.600 -0.162 0.000 1.010 5547 S CA 1.102 59.213 58.200 -0.148 0.000 0.972 5547 S CB -1.040 62.018 63.200 -0.236 0.000 0.774 5547 S HN 0.277 nan 8.310 nan 0.000 0.501 5548 Y N 1.558 121.913 120.300 0.091 0.000 2.471 5548 Y HA 0.302 4.852 4.550 0.000 0.000 0.286 5548 Y C 1.293 177.263 175.900 0.116 0.000 1.188 5548 Y CA -0.533 57.628 58.100 0.102 0.000 1.286 5548 Y CB -0.369 38.147 38.460 0.093 0.000 1.072 5548 Y HN 0.048 nan 8.280 nan 0.000 0.517 5549 S N 1.762 117.596 115.700 0.223 0.000 2.563 5549 S HA 0.021 4.491 4.470 0.000 0.000 0.294 5549 S C 0.869 175.581 174.600 0.186 0.000 1.279 5549 S CA -0.121 58.212 58.200 0.221 0.000 1.069 5549 S CB 0.022 63.328 63.200 0.177 0.000 0.828 5549 S HN 0.632 nan 8.310 nan 0.000 0.497 5550 R N 1.156 121.751 120.500 0.159 0.000 3.919 5550 R HA -0.139 4.201 4.340 0.000 0.000 0.412 5550 R C -0.661 175.670 176.300 0.050 0.000 1.102 5550 R CA 1.011 57.183 56.100 0.121 0.000 1.082 5550 R CB -2.636 27.804 30.300 0.233 0.000 1.671 5550 R HN 0.841 nan 8.270 nan 0.000 0.540 5551 Q N 0.526 120.374 119.800 0.081 0.000 2.394 5551 Q HA 0.675 5.015 4.340 0.000 0.000 0.273 5551 Q C -0.317 175.685 176.000 0.002 0.000 1.089 5551 Q CA -0.924 54.909 55.803 0.050 0.000 0.812 5551 Q CB 2.267 31.093 28.738 0.147 0.000 1.353 5551 Q HN 0.097 nan 8.270 nan 0.000 0.438 5552 I N 2.235 122.771 120.570 -0.057 0.000 2.307 5552 I HA 0.227 4.397 4.170 0.000 0.000 0.289 5552 I C -0.623 175.433 176.117 -0.101 0.000 1.021 5552 I CA -0.811 60.436 61.300 -0.087 0.000 1.224 5552 I CB 1.245 39.179 38.000 -0.110 0.000 1.376 5552 I HN 0.289 nan 8.210 nan 0.000 0.470 5553 V N 5.498 125.331 119.914 -0.134 0.000 2.465 5553 V HA 0.312 4.432 4.120 0.000 0.000 0.279 5553 V C 0.350 176.359 176.094 -0.143 0.000 1.045 5553 V CA -0.374 61.817 62.300 -0.183 0.000 0.938 5553 V CB 1.317 32.940 31.823 -0.332 0.000 0.986 5553 V HN 0.675 nan 8.190 nan 0.000 0.467 5554 T N 6.507 120.995 114.554 -0.111 0.000 2.794 5554 T HA 0.673 5.023 4.350 0.000 0.000 0.280 5554 T C -0.349 174.330 174.700 -0.036 0.000 0.987 5554 T CA -0.364 61.681 62.100 -0.091 0.000 0.993 5554 T CB 1.068 69.879 68.868 -0.095 0.000 0.939 5554 T HN 0.358 nan 8.240 nan 0.000 0.449 5555 L N 2.715 123.911 121.223 -0.045 0.000 2.317 5555 L HA 0.391 4.731 4.340 0.000 0.000 0.281 5555 L C 1.889 178.757 176.870 -0.002 0.000 1.024 5555 L CA -0.782 54.065 54.840 0.012 0.000 0.810 5555 L CB 1.681 43.752 42.059 0.020 0.000 1.240 5555 L HN 0.857 nan 8.230 nan 0.000 0.427 5556 T N -1.013 113.574 114.554 0.055 0.000 2.942 5556 T HA -0.110 4.240 4.350 0.000 0.000 0.265 5556 T C 0.591 175.290 174.700 -0.002 0.000 1.062 5556 T CA 0.439 62.539 62.100 -0.000 0.000 1.139 5556 T CB -0.208 68.675 68.868 0.025 0.000 0.883 5556 T HN 0.327 nan 8.240 nan 0.000 0.468 5557 Y N 5.208 125.501 120.300 -0.011 0.000 2.569 5557 Y HA 0.264 4.814 4.550 0.000 0.000 0.332 5557 Y C -1.493 174.367 175.900 -0.067 0.000 1.120 5557 Y CA -3.073 55.019 58.100 -0.014 0.000 1.416 5557 Y CB 0.948 39.428 38.460 0.034 0.000 1.210 5557 Y HN -0.014 nan 8.280 nan 0.000 0.528 5558 P HA -0.197 nan 4.420 nan 0.000 0.216 5558 P C -0.311 176.520 177.300 -0.781 0.000 1.150 5558 P CA 1.641 64.274 63.100 -0.778 0.000 0.837 5558 P CB 0.139 31.409 31.700 -0.717 0.000 0.786 5559 H N 0.292 118.938 119.070 -0.705 0.000 2.690 5559 H HA 0.259 4.815 4.556 0.000 0.000 0.289 5559 H C 0.095 175.374 175.328 -0.082 0.000 1.089 5559 H CA -0.443 55.461 56.048 -0.240 0.000 1.299 5559 H CB 0.447 30.181 29.762 -0.046 0.000 1.405 5559 H HN 0.040 nan 8.280 nan 0.000 0.463 5560 I N 1.657 122.166 120.570 -0.101 0.000 2.362 5560 I HA 0.241 4.411 4.170 0.000 0.000 0.289 5560 I C 1.252 177.068 176.117 -0.502 0.000 0.994 5560 I CA -0.126 60.977 61.300 -0.328 0.000 1.158 5560 I CB 1.256 39.072 38.000 -0.306 0.000 1.315 5560 I HN 0.908 nan 8.210 nan 0.000 0.451 5561 G N 5.276 113.558 108.800 -0.862 0.000 2.227 5561 G HA2 -0.234 3.726 3.960 0.000 0.000 0.168 5561 G HA3 -0.234 3.726 3.960 0.000 0.000 0.168 5561 G C 0.829 175.692 174.900 -0.062 0.000 1.006 5561 G CA -0.247 44.544 45.100 -0.513 0.000 0.684 5561 G HN 0.456 nan 8.290 nan 0.000 0.489 5562 N N 0.441 119.151 118.700 0.018 0.000 2.184 5562 N HA -0.123 4.617 4.740 0.000 0.000 0.190 5562 N C 2.246 177.827 175.510 0.118 0.000 1.011 5562 N CA 2.191 55.295 53.050 0.090 0.000 0.867 5562 N CB -0.190 38.371 38.487 0.124 0.000 0.993 5562 N HN 1.178 nan 8.380 nan 0.000 0.433 5563 V N -3.995 116.043 119.914 0.207 0.000 3.271 5563 V HA 0.563 4.683 4.120 0.000 0.000 0.327 5563 V C 1.119 177.257 176.094 0.073 0.000 1.389 5563 V CA 0.131 62.493 62.300 0.104 0.000 1.156 5563 V CB -0.260 31.587 31.823 0.040 0.000 1.103 5563 V HN 0.311 nan 8.190 nan 0.000 0.453 5564 G N 1.688 110.571 108.800 0.138 0.000 2.566 5564 G HA2 -0.146 3.814 3.960 0.000 0.000 0.280 5564 G HA3 -0.146 3.814 3.960 0.000 0.000 0.280 5564 G C 0.178 175.083 174.900 0.007 0.000 1.225 5564 G CA 1.050 46.192 45.100 0.069 0.000 0.966 5564 G HN 1.962 nan 8.290 nan 0.000 0.560 5565 T N -2.282 112.202 114.554 -0.116 0.000 2.853 5565 T HA 0.673 5.024 4.350 0.000 0.000 0.311 5565 T C -0.781 173.792 174.700 -0.211 0.000 1.307 5565 T CA 0.124 62.057 62.100 -0.279 0.000 1.019 5565 T CB 2.090 70.591 68.868 -0.611 0.000 1.264 5565 T HN 2.274 nan 8.240 nan 0.000 0.497 5566 N N -0.809 117.756 118.700 -0.225 0.000 2.484 5566 N HA 0.422 5.162 4.740 0.000 0.000 0.269 5566 N C -0.363 175.098 175.510 -0.083 0.000 1.237 5566 N CA -0.818 52.158 53.050 -0.123 0.000 0.838 5566 N CB 1.274 39.685 38.487 -0.126 0.000 1.593 5566 N HN 0.346 nan 8.380 nan 0.000 0.485 5567 D N 0.677 121.078 120.400 0.001 0.000 2.149 5567 D HA -0.109 4.531 4.640 0.000 0.000 0.198 5567 D C 1.814 178.129 176.300 0.026 0.000 0.990 5567 D CA 1.930 55.959 54.000 0.048 0.000 0.839 5567 D CB -0.497 40.352 40.800 0.081 0.000 0.948 5567 D HN 0.725 nan 8.370 nan 0.000 0.460 5568 A N 0.574 123.397 122.820 0.004 0.000 2.076 5568 A HA -0.157 4.163 4.320 0.000 0.000 0.220 5568 A C 1.170 178.685 177.584 -0.114 0.000 1.160 5568 A CA 1.323 53.353 52.037 -0.011 0.000 0.653 5568 A CB -0.129 18.885 19.000 0.022 0.000 0.801 5568 A HN 0.019 nan 8.150 nan 0.000 0.455 5569 D N 0.303 120.611 120.400 -0.153 0.000 2.358 5569 D HA 0.123 4.763 4.640 0.000 0.000 0.224 5569 D C -0.239 175.995 176.300 -0.110 0.000 1.123 5569 D CA 0.090 53.972 54.000 -0.196 0.000 0.833 5569 D CB 0.102 40.727 40.800 -0.290 0.000 0.946 5569 D HN 0.556 nan 8.370 nan 0.000 0.505 5570 E N 0.965 121.150 120.200 -0.025 0.000 2.130 5570 E HA 0.084 4.435 4.350 0.000 0.000 0.284 5570 E C 0.607 177.249 176.600 0.071 0.000 1.018 5570 E CA -0.195 56.233 56.400 0.048 0.000 0.817 5570 E CB 1.335 31.101 29.700 0.109 0.000 1.078 5570 E HN -0.085 nan 8.360 nan 0.000 0.396 5571 E N 1.219 121.466 120.200 0.078 0.000 2.489 5571 E HA 0.004 4.354 4.350 0.000 0.000 0.193 5571 E C 0.112 176.781 176.600 0.114 0.000 1.057 5571 E CA 0.197 56.647 56.400 0.083 0.000 0.866 5571 E CB 0.294 30.041 29.700 0.079 0.000 0.916 5571 E HN 0.499 nan 8.360 nan 0.000 0.500 5572 S N -2.381 113.411 115.700 0.153 0.000 2.643 5572 S HA 0.122 4.592 4.470 0.000 0.000 0.266 5572 S C 0.953 175.669 174.600 0.193 0.000 1.130 5572 S CA -0.005 58.307 58.200 0.187 0.000 0.817 5572 S CB 0.764 64.109 63.200 0.241 0.000 1.107 5572 S HN -0.069 nan 8.310 nan 0.000 0.471 5573 S N 0.383 116.200 115.700 0.195 0.000 2.402 5573 S HA -0.076 4.394 4.470 0.000 0.000 0.233 5573 S C 0.754 175.443 174.600 0.149 0.000 1.030 5573 S CA 1.484 59.779 58.200 0.159 0.000 1.003 5573 S CB -1.054 62.226 63.200 0.133 0.000 0.813 5573 S HN 1.136 nan 8.310 nan 0.000 0.477 5574 Q N -1.187 118.689 119.800 0.127 0.000 2.693 5574 Q HA 0.676 5.016 4.340 0.000 0.000 0.306 5574 Q C -1.616 174.317 176.000 -0.111 0.000 0.969 5574 Q CA -1.193 54.620 55.803 0.017 0.000 0.757 5574 Q CB 1.570 30.249 28.738 -0.099 0.000 1.494 5574 Q HN -0.038 nan 8.270 nan 0.000 0.459 5575 V N 2.364 122.171 119.914 -0.178 0.000 2.427 5575 V HA 0.053 4.173 4.120 0.000 0.000 0.268 5575 V C 0.564 176.506 176.094 -0.253 0.000 1.046 5575 V CA 0.012 62.212 62.300 -0.167 0.000 0.970 5575 V CB 0.222 31.911 31.823 -0.223 0.000 1.001 5575 V HN 0.731 nan 8.190 nan 0.000 0.476 5576 H N 3.200 122.321 119.070 0.085 0.000 2.520 5576 H HA 0.256 4.812 4.556 0.000 0.000 0.279 5576 H C 1.432 176.824 175.328 0.106 0.000 0.990 5576 H CA 0.734 56.847 56.048 0.108 0.000 1.288 5576 H CB 0.484 30.330 29.762 0.140 0.000 1.446 5576 H HN 0.683 nan 8.280 nan 0.000 0.538 5577 A N 1.650 124.574 122.820 0.172 0.000 2.565 5577 A HA -0.060 4.260 4.320 0.000 0.000 0.237 5577 A C 1.496 179.107 177.584 0.044 0.000 1.053 5577 A CA 0.146 52.238 52.037 0.091 0.000 0.755 5577 A CB 0.310 19.296 19.000 -0.025 0.000 0.980 5577 A HN 0.374 nan 8.150 nan 0.000 0.506 5578 Q N 1.664 121.482 119.800 0.030 0.000 2.398 5578 Q HA 0.328 4.668 4.340 0.000 0.000 0.204 5578 Q C 0.547 176.528 176.000 -0.032 0.000 0.932 5578 Q CA 1.323 57.124 55.803 -0.003 0.000 0.916 5578 Q CB 0.207 28.931 28.738 -0.022 0.000 1.024 5578 Q HN 1.119 nan 8.270 nan 0.000 0.504 5579 G N -0.303 108.471 108.800 -0.044 0.000 2.601 5579 G HA2 0.481 4.441 3.960 0.000 0.000 0.291 5579 G HA3 0.481 4.441 3.960 0.000 0.000 0.291 5579 G C -2.493 172.365 174.900 -0.070 0.000 1.456 5579 G CA -0.578 44.489 45.100 -0.056 0.000 0.804 5579 G HN 0.139 nan 8.290 nan 0.000 0.499 5580 L N 0.476 121.659 121.223 -0.068 0.000 2.408 5580 L HA 0.866 5.206 4.340 0.000 0.000 0.268 5580 L C -1.131 175.686 176.870 -0.088 0.000 0.986 5580 L CA -0.956 53.836 54.840 -0.079 0.000 0.820 5580 L CB 2.305 44.331 42.059 -0.055 0.000 1.303 5580 L HN 0.445 nan 8.230 nan 0.000 0.411 5581 V N 6.439 126.288 119.914 -0.109 0.000 2.443 5581 V HA 0.583 4.703 4.120 0.000 0.000 0.293 5581 V C -0.155 175.862 176.094 -0.129 0.000 1.021 5581 V CA -0.347 61.876 62.300 -0.128 0.000 0.848 5581 V CB 1.311 33.032 31.823 -0.171 0.000 0.998 5581 V HN 0.789 nan 8.190 nan 0.000 0.424 5582 I N 1.820 122.316 120.570 -0.124 0.000 3.074 5582 I HA 0.737 4.907 4.170 0.000 0.000 0.310 5582 I C 0.699 176.731 176.117 -0.142 0.000 1.153 5582 I CA -0.988 60.231 61.300 -0.136 0.000 0.993 5582 I CB 2.428 40.347 38.000 -0.136 0.000 1.237 5582 I HN 0.406 nan 8.210 nan 0.000 0.443 5583 R N 1.987 122.380 120.500 -0.178 0.000 2.066 5583 R HA 0.220 4.561 4.340 0.000 0.000 0.224 5583 R C -0.409 175.786 176.300 -0.174 0.000 1.122 5583 R CA 1.574 57.565 56.100 -0.181 0.000 0.974 5583 R CB -0.148 30.012 30.300 -0.234 0.000 0.871 5583 R HN 0.895 nan 8.270 nan 0.000 0.435 5584 D N -0.823 119.448 120.400 -0.216 0.000 2.964 5584 D HA 0.252 4.892 4.640 0.000 0.000 0.234 5584 D C -1.918 174.335 176.300 -0.080 0.000 1.223 5584 D CA -0.648 53.263 54.000 -0.148 0.000 0.889 5584 D CB 1.230 41.902 40.800 -0.213 0.000 1.609 5584 D HN 0.036 nan 8.370 nan 0.000 0.523 5585 L N 5.869 127.068 121.223 -0.039 0.000 2.262 5585 L HA 0.573 4.913 4.340 0.000 0.000 0.288 5585 L C -2.279 174.599 176.870 0.014 0.000 1.035 5585 L CA -1.740 53.079 54.840 -0.035 0.000 0.820 5585 L CB 0.696 42.731 42.059 -0.040 0.000 1.204 5585 L HN 0.297 nan 8.230 nan 0.000 0.424 5586 P HA -0.017 nan 4.420 nan 0.000 0.271 5586 P C 0.785 178.088 177.300 0.004 0.000 1.233 5586 P CA -0.462 62.656 63.100 0.030 0.000 0.789 5586 P CB 0.876 32.573 31.700 -0.005 0.000 0.951 5587 L N 0.656 121.879 121.223 -0.001 0.000 2.012 5587 L HA -0.059 4.281 4.340 0.000 0.000 0.210 5587 L C 1.471 178.343 176.870 0.003 0.000 1.073 5587 L CA 1.812 56.652 54.840 0.001 0.000 0.748 5587 L CB -1.301 40.757 42.059 -0.002 0.000 0.891 5587 L HN 0.521 nan 8.230 nan 0.000 0.431 5588 I N -5.292 115.278 120.570 0.001 0.000 3.074 5588 I HA 0.729 4.899 4.170 0.000 0.000 0.310 5588 I C -0.449 175.675 176.117 0.011 0.000 1.153 5588 I CA -1.224 60.081 61.300 0.009 0.000 0.993 5588 I CB 1.936 39.942 38.000 0.011 0.000 1.237 5588 I HN -0.195 nan 8.210 nan 0.000 0.443 5589 A N 1.719 124.551 122.820 0.021 0.000 2.303 5589 A HA 0.720 5.040 4.320 0.000 0.000 0.317 5589 A C -0.064 177.539 177.584 0.031 0.000 1.149 5589 A CA -0.440 51.615 52.037 0.030 0.000 0.822 5589 A CB 1.085 20.106 19.000 0.035 0.000 1.131 5589 A HN 0.722 nan 8.150 nan 0.000 0.493 5590 S N 2.227 117.949 115.700 0.037 0.000 2.216 5590 S HA 0.399 4.869 4.470 0.000 0.000 0.156 5590 S C -0.971 173.664 174.600 0.058 0.000 1.665 5590 S CA -0.675 57.551 58.200 0.043 0.000 1.262 5590 S CB -0.557 62.665 63.200 0.036 0.000 1.207 5590 S HN 0.824 nan 8.310 nan 0.000 0.427 5591 N N 2.054 120.786 118.700 0.053 0.000 2.431 5591 N HA 0.151 4.891 4.740 0.000 0.000 0.275 5591 N C 0.623 176.162 175.510 0.048 0.000 1.091 5591 N CA -0.564 52.523 53.050 0.060 0.000 0.922 5591 N CB 0.927 39.396 38.487 -0.031 0.000 1.666 5591 N HN 0.332 nan 8.380 nan 0.000 0.484 5592 F N 3.395 123.366 119.950 0.035 0.000 2.192 5592 F HA -0.003 4.524 4.527 0.000 0.000 0.301 5592 F C 1.612 177.439 175.800 0.046 0.000 1.079 5592 F CA 1.070 59.094 58.000 0.040 0.000 1.303 5592 F CB -0.195 38.832 39.000 0.044 0.000 1.024 5592 F HN 0.414 nan 8.300 nan 0.000 0.494 5593 R N 0.578 120.586 120.500 -0.821 0.000 2.275 5593 R HA -0.019 4.321 4.340 0.000 0.000 0.199 5593 R C 0.386 176.539 176.300 -0.245 0.000 0.989 5593 R CA 0.405 56.148 56.100 -0.595 0.000 1.016 5593 R CB -0.818 29.040 30.300 -0.737 0.000 0.918 5593 R HN 0.316 nan 8.270 nan 0.000 0.473 5594 N N 1.320 119.923 118.700 -0.163 0.000 2.458 5594 N HA -0.071 4.669 4.740 0.000 0.000 0.258 5594 N C 0.697 176.185 175.510 -0.036 0.000 1.219 5594 N CA 0.643 53.642 53.050 -0.084 0.000 0.902 5594 N CB 1.019 39.483 38.487 -0.038 0.000 1.076 5594 N HN 0.077 nan 8.380 nan 0.000 0.455 5595 T N -0.290 114.249 114.554 -0.025 0.000 3.004 5595 T HA 0.254 4.604 4.350 0.000 0.000 0.266 5595 T C 0.012 174.734 174.700 0.036 0.000 0.986 5595 T CA -0.393 61.714 62.100 0.012 0.000 0.902 5595 T CB -0.166 68.715 68.868 0.022 0.000 1.118 5595 T HN 0.625 nan 8.240 nan 0.000 0.522 5596 E N 1.517 121.736 120.200 0.031 0.000 2.537 5596 E HA 0.294 4.644 4.350 0.000 0.000 0.301 5596 E C -1.865 174.771 176.600 0.060 0.000 0.990 5596 E CA -0.683 55.759 56.400 0.070 0.000 0.828 5596 E CB 1.357 31.143 29.700 0.143 0.000 1.243 5596 E HN 0.456 nan 8.360 nan 0.000 0.414 5597 D N 2.965 123.406 120.400 0.069 0.000 2.400 5597 D HA -0.012 4.628 4.640 0.000 0.000 0.238 5597 D C 1.259 177.619 176.300 0.100 0.000 1.157 5597 D CA -0.502 53.536 54.000 0.064 0.000 0.889 5597 D CB 0.924 41.754 40.800 0.050 0.000 1.199 5597 D HN 0.371 nan 8.370 nan 0.000 0.436 5598 L N 2.457 123.724 121.223 0.075 0.000 1.978 5598 L HA -0.237 4.103 4.340 0.000 0.000 0.218 5598 L C 2.328 179.281 176.870 0.138 0.000 1.075 5598 L CA 2.314 57.213 54.840 0.097 0.000 0.767 5598 L CB -1.234 40.826 42.059 0.001 0.000 0.890 5598 L HN 0.739 nan 8.230 nan 0.000 0.434 5599 S N -1.489 114.258 115.700 0.078 0.000 2.359 5599 S HA -0.244 4.226 4.470 0.000 0.000 0.223 5599 S C 2.140 176.799 174.600 0.098 0.000 1.039 5599 S CA 1.827 60.069 58.200 0.070 0.000 1.042 5599 S CB -0.493 62.730 63.200 0.038 0.000 0.915 5599 S HN 0.663 nan 8.310 nan 0.000 0.439 5600 S N -0.145 115.620 115.700 0.108 0.000 2.359 5600 S HA -0.137 4.333 4.470 0.000 0.000 0.224 5600 S C 1.570 176.270 174.600 0.167 0.000 1.035 5600 S CA 1.605 59.872 58.200 0.112 0.000 1.018 5600 S CB -0.698 62.564 63.200 0.103 0.000 0.876 5600 S HN 0.718 nan 8.310 nan 0.000 0.448 5601 Y N 2.107 122.454 120.300 0.078 0.000 2.165 5601 Y HA -0.112 4.438 4.550 0.000 0.000 0.286 5601 Y C 1.922 177.923 175.900 0.168 0.000 1.155 5601 Y CA 1.261 59.441 58.100 0.134 0.000 1.164 5601 Y CB -0.432 38.087 38.460 0.098 0.000 0.978 5601 Y HN 0.158 nan 8.280 nan 0.000 0.513 5602 L N -0.259 121.073 121.223 0.182 0.000 2.017 5602 L HA -0.251 4.089 4.340 0.000 0.000 0.208 5602 L C 2.483 179.368 176.870 0.024 0.000 1.073 5602 L CA 1.724 56.605 54.840 0.069 0.000 0.745 5602 L CB -0.562 41.545 42.059 0.081 0.000 0.894 5602 L HN 0.099 nan 8.230 nan 0.000 0.432 5603 K N -0.193 120.227 120.400 0.033 0.000 2.032 5603 K HA -0.243 4.077 4.320 0.000 0.000 0.209 5603 K C 2.264 178.849 176.600 -0.026 0.000 1.048 5603 K CA 1.499 57.791 56.287 0.008 0.000 0.927 5603 K CB -0.192 32.318 32.500 0.017 0.000 0.712 5603 K HN 0.134 nan 8.250 nan 0.000 0.441 5604 R N 0.345 120.822 120.500 -0.038 0.000 2.096 5604 R HA -0.186 4.154 4.340 0.000 0.000 0.240 5604 R C 1.547 177.699 176.300 -0.247 0.000 1.139 5604 R CA 1.731 57.755 56.100 -0.127 0.000 0.952 5604 R CB -0.203 30.020 30.300 -0.128 0.000 0.854 5604 R HN 0.435 nan 8.270 nan 0.000 0.436 5605 H N 0.069 118.989 119.070 -0.249 0.000 2.533 5605 H HA 0.085 4.641 4.556 0.000 0.000 0.271 5605 H C -0.119 175.122 175.328 -0.144 0.000 1.000 5605 H CA 0.392 56.298 56.048 -0.237 0.000 1.149 5605 H CB -0.159 29.388 29.762 -0.358 0.000 1.375 5605 H HN 0.405 nan 8.280 nan 0.000 0.582 5606 N N 0.936 119.620 118.700 -0.027 0.000 2.725 5606 N HA -0.154 4.586 4.740 0.000 0.000 0.251 5606 N C -0.888 174.616 175.510 -0.009 0.000 1.031 5606 N CA -0.059 52.977 53.050 -0.023 0.000 0.720 5606 N CB -0.571 37.895 38.487 -0.035 0.000 0.930 5606 N HN 0.227 nan 8.380 nan 0.000 0.543 5607 I N 0.865 121.434 120.570 -0.001 0.000 2.359 5607 I HA 0.263 4.433 4.170 0.000 0.000 0.294 5607 I C 0.867 176.979 176.117 -0.008 0.000 0.987 5607 I CA -0.620 60.676 61.300 -0.006 0.000 1.225 5607 I CB 1.321 39.317 38.000 -0.007 0.000 1.366 5607 I HN -0.198 nan 8.210 nan 0.000 0.466 5608 V N 5.721 125.626 119.914 -0.015 0.000 2.530 5608 V HA 0.661 4.781 4.120 0.000 0.000 0.282 5608 V C 0.497 176.576 176.094 -0.024 0.000 1.048 5608 V CA -0.268 62.022 62.300 -0.017 0.000 0.997 5608 V CB 1.086 32.896 31.823 -0.021 0.000 0.987 5608 V HN 0.944 nan 8.190 nan 0.000 0.477 5609 A N 5.822 128.630 122.820 -0.021 0.000 2.549 5609 A HA 0.883 5.203 4.320 0.000 0.000 0.297 5609 A C -1.152 176.413 177.584 -0.030 0.000 1.061 5609 A CA -0.507 51.512 52.037 -0.030 0.000 0.690 5609 A CB 1.683 20.669 19.000 -0.023 0.000 1.287 5609 A HN 0.815 nan 8.150 nan 0.000 0.402 5610 I N 0.678 121.222 120.570 -0.043 0.000 2.730 5610 I HA 0.820 4.990 4.170 0.000 0.000 0.298 5610 I C -0.179 175.909 176.117 -0.049 0.000 1.089 5610 I CA -0.721 60.557 61.300 -0.037 0.000 1.041 5610 I CB 2.041 40.021 38.000 -0.033 0.000 1.235 5610 I HN 1.003 nan 8.210 nan 0.000 0.423 5611 A N 3.695 126.493 122.820 -0.037 0.000 2.437 5611 A HA 0.649 4.969 4.320 0.000 0.000 0.288 5611 A C -0.572 176.991 177.584 -0.036 0.000 1.201 5611 A CA -0.173 51.834 52.037 -0.050 0.000 0.795 5611 A CB 0.961 19.932 19.000 -0.049 0.000 1.359 5611 A HN 0.841 nan 8.150 nan 0.000 0.435 5612 D N -1.493 118.877 120.400 -0.050 0.000 2.907 5612 D HA -0.167 4.473 4.640 0.000 0.000 0.226 5612 D C -0.135 176.160 176.300 -0.009 0.000 1.141 5612 D CA 1.674 55.655 54.000 -0.033 0.000 0.779 5612 D CB -2.010 38.782 40.800 -0.013 0.000 1.095 5612 D HN 0.839 nan 8.370 nan 0.000 0.430 5613 I N -3.178 117.381 120.570 -0.019 0.000 2.797 5613 I HA 0.498 4.669 4.170 0.000 0.000 0.307 5613 I C 0.312 176.431 176.117 0.002 0.000 1.033 5613 I CA -0.921 60.400 61.300 0.036 0.000 1.071 5613 I CB 1.409 39.455 38.000 0.077 0.000 1.255 5613 I HN -0.325 nan 8.210 nan 0.000 0.445 5614 D N 2.859 123.306 120.400 0.078 0.000 2.498 5614 D HA 0.040 4.680 4.640 0.000 0.000 0.229 5614 D C 1.366 177.660 176.300 -0.010 0.000 1.188 5614 D CA 0.400 54.423 54.000 0.037 0.000 1.028 5614 D CB 0.412 41.259 40.800 0.078 0.000 1.087 5614 D HN 0.806 nan 8.370 nan 0.000 0.510 5615 T N 0.866 115.354 114.554 -0.110 0.000 2.803 5615 T HA -0.239 4.111 4.350 0.000 0.000 0.269 5615 T C 1.893 176.484 174.700 -0.181 0.000 1.052 5615 T CA 0.924 62.914 62.100 -0.183 0.000 1.136 5615 T CB -0.024 68.736 68.868 -0.180 0.000 0.864 5615 T HN 0.348 nan 8.240 nan 0.000 0.467 5616 R N 1.563 121.979 120.500 -0.140 0.000 2.075 5616 R HA -0.003 4.337 4.340 0.000 0.000 0.232 5616 R C 2.598 178.820 176.300 -0.130 0.000 1.126 5616 R CA 1.542 57.550 56.100 -0.154 0.000 0.963 5616 R CB -0.268 29.960 30.300 -0.119 0.000 0.858 5616 R HN 0.526 nan 8.270 nan 0.000 0.435 5617 K N 0.256 120.630 120.400 -0.045 0.000 2.097 5617 K HA -0.170 4.150 4.320 0.000 0.000 0.206 5617 K C 1.987 178.612 176.600 0.042 0.000 1.049 5617 K CA 1.427 57.729 56.287 0.026 0.000 0.933 5617 K CB -0.177 32.401 32.500 0.130 0.000 0.717 5617 K HN 0.212 nan 8.250 nan 0.000 0.442 5618 L N 1.343 122.553 121.223 -0.021 0.000 2.056 5618 L HA -0.088 4.252 4.340 0.000 0.000 0.207 5618 L C 1.911 178.661 176.870 -0.201 0.000 1.078 5618 L CA 1.996 56.738 54.840 -0.162 0.000 0.749 5618 L CB -0.900 40.817 42.059 -0.570 0.000 0.901 5618 L HN 0.165 nan 8.230 nan 0.000 0.433 5619 T N -0.065 114.296 114.554 -0.322 0.000 2.746 5619 T HA -0.137 4.213 4.350 0.000 0.000 0.267 5619 T C 1.998 176.377 174.700 -0.536 0.000 1.039 5619 T CA 1.360 63.086 62.100 -0.623 0.000 1.142 5619 T CB -0.193 68.193 68.868 -0.802 0.000 0.866 5619 T HN 0.334 nan 8.240 nan 0.000 0.444 5620 R N 0.422 120.725 120.500 -0.328 0.000 2.105 5620 R HA -0.031 4.309 4.340 0.000 0.000 0.239 5620 R C 2.420 178.634 176.300 -0.143 0.000 1.135 5620 R CA 1.005 56.971 56.100 -0.224 0.000 0.967 5620 R CB -0.730 29.487 30.300 -0.139 0.000 0.861 5620 R HN 0.310 nan 8.270 nan 0.000 0.442 5621 L N 0.972 122.142 121.223 -0.089 0.000 2.072 5621 L HA -0.071 4.269 4.340 0.000 0.000 0.205 5621 L C 2.072 178.934 176.870 -0.013 0.000 1.079 5621 L CA 1.415 56.243 54.840 -0.020 0.000 0.752 5621 L CB -0.301 41.786 42.059 0.046 0.000 0.906 5621 L HN 0.068 nan 8.230 nan 0.000 0.436 5622 L N -0.529 120.674 121.223 -0.034 0.000 2.046 5622 L HA -0.196 4.144 4.340 0.000 0.000 0.208 5622 L C 2.851 179.714 176.870 -0.012 0.000 1.077 5622 L CA 1.576 56.438 54.840 0.037 0.000 0.747 5622 L CB -0.585 41.571 42.059 0.161 0.000 0.896 5622 L HN 0.344 nan 8.230 nan 0.000 0.432 5623 R N 0.113 120.498 120.500 -0.191 0.000 2.070 5623 R HA -0.158 4.182 4.340 0.000 0.000 0.233 5623 R C 2.169 178.474 176.300 0.008 0.000 1.137 5623 R CA 1.449 57.328 56.100 -0.368 0.000 0.945 5623 R CB -0.019 30.042 30.300 -0.398 0.000 0.845 5623 R HN 0.317 nan 8.270 nan 0.000 0.430 5624 E N 0.514 120.712 120.200 -0.003 0.000 2.107 5624 E HA -0.140 4.210 4.350 0.000 0.000 0.191 5624 E C 1.621 178.267 176.600 0.076 0.000 0.982 5624 E CA 1.265 57.692 56.400 0.046 0.000 0.809 5624 E CB 0.100 29.807 29.700 0.011 0.000 0.756 5624 E HN 0.371 nan 8.360 nan 0.000 0.459 5625 K N -0.311 120.131 120.400 0.070 0.000 2.353 5625 K HA 0.224 4.544 4.320 0.000 0.000 0.195 5625 K C 0.560 177.220 176.600 0.101 0.000 1.031 5625 K CA 0.408 56.739 56.287 0.074 0.000 1.079 5625 K CB 1.202 33.733 32.500 0.051 0.000 0.857 5625 K HN 0.153 nan 8.250 nan 0.000 0.535 5626 G N 1.362 110.256 108.800 0.157 0.000 2.756 5626 G HA2 -0.111 3.849 3.960 0.000 0.000 0.678 5626 G HA3 -0.111 3.849 3.960 0.000 0.000 0.678 5626 G C -0.278 174.710 174.900 0.146 0.000 1.349 5626 G CA -0.774 44.443 45.100 0.194 0.000 0.847 5626 G HN 0.297 nan 8.290 nan 0.000 0.548 5627 A N 0.207 123.109 122.820 0.137 0.000 2.547 5627 A HA 0.512 4.832 4.320 0.000 0.000 0.233 5627 A C 0.719 178.344 177.584 0.068 0.000 1.067 5627 A CA 1.523 53.614 52.037 0.090 0.000 0.763 5627 A CB 0.175 19.204 19.000 0.047 0.000 1.007 5627 A HN 1.052 nan 8.150 nan 0.000 0.506 5628 Q N 0.449 120.286 119.800 0.062 0.000 2.418 5628 Q HA 0.279 4.619 4.340 0.000 0.000 0.282 5628 Q C -1.291 174.750 176.000 0.068 0.000 1.044 5628 Q CA -1.103 54.740 55.803 0.066 0.000 0.813 5628 Q CB 1.710 30.484 28.738 0.061 0.000 1.428 5628 Q HN 0.826 nan 8.270 nan 0.000 0.402 5629 N N -0.068 118.692 118.700 0.100 0.000 2.493 5629 N HA 0.680 5.420 4.740 0.000 0.000 0.275 5629 N C -0.326 175.205 175.510 0.034 0.000 1.186 5629 N CA 0.091 53.204 53.050 0.104 0.000 0.978 5629 N CB 1.459 40.114 38.487 0.279 0.000 1.184 5629 N HN 0.758 nan 8.380 nan 0.000 0.487 5630 G N -1.447 107.328 108.800 -0.041 0.000 2.649 5630 G HA2 0.503 4.463 3.960 0.000 0.000 0.290 5630 G HA3 0.503 4.463 3.960 0.000 0.000 0.290 5630 G C -1.767 173.084 174.900 -0.082 0.000 1.426 5630 G CA -0.365 44.712 45.100 -0.037 0.000 0.794 5630 G HN 0.670 nan 8.290 nan 0.000 0.483 5631 C N 0.309 119.581 119.300 -0.048 0.000 2.686 5631 C HA 0.783 5.243 4.460 0.000 0.000 0.318 5631 C C -0.787 174.180 174.990 -0.037 0.000 1.160 5631 C CA -0.692 58.294 59.018 -0.053 0.000 1.396 5631 C CB -0.077 27.647 27.740 -0.026 0.000 1.924 5631 C HN 0.614 nan 8.230 nan 0.000 0.471 5632 I N 6.200 126.743 120.570 -0.045 0.000 2.354 5632 I HA 0.507 4.677 4.170 0.000 0.000 0.292 5632 I C -0.385 175.720 176.117 -0.020 0.000 0.989 5632 I CA -0.325 60.955 61.300 -0.033 0.000 1.188 5632 I CB 1.377 39.351 38.000 -0.043 0.000 1.342 5632 I HN 0.500 nan 8.210 nan 0.000 0.457 5633 I N 5.737 126.302 120.570 -0.007 0.000 2.418 5633 I HA 0.592 4.762 4.170 0.000 0.000 0.287 5633 I C -0.168 175.953 176.117 0.007 0.000 1.008 5633 I CA -0.465 60.836 61.300 0.001 0.000 1.104 5633 I CB 1.899 39.904 38.000 0.009 0.000 1.264 5633 I HN 0.601 nan 8.210 nan 0.000 0.438 5634 A N 4.832 127.655 122.820 0.005 0.000 2.319 5634 A HA 0.969 5.290 4.320 0.000 0.000 0.310 5634 A C -0.113 177.476 177.584 0.008 0.000 1.152 5634 A CA -0.301 51.741 52.037 0.007 0.000 0.783 5634 A CB 1.257 20.258 19.000 0.001 0.000 1.184 5634 A HN 0.929 nan 8.150 nan 0.000 0.474 5635 G N 0.559 109.367 108.800 0.012 0.000 2.321 5635 G HA2 0.353 4.313 3.960 0.000 0.000 0.296 5635 G HA3 0.353 4.313 3.960 0.000 0.000 0.296 5635 G C -0.192 174.715 174.900 0.012 0.000 1.287 5635 G CA 0.004 45.110 45.100 0.010 0.000 0.846 5635 G HN 0.342 nan 8.290 nan 0.000 0.508 5636 D N -0.219 120.187 120.400 0.009 0.000 2.137 5636 D HA -0.100 4.540 4.640 0.000 0.000 0.189 5636 D C 0.706 177.012 176.300 0.010 0.000 0.998 5636 D CA 1.455 55.460 54.000 0.008 0.000 0.839 5636 D CB 0.160 40.963 40.800 0.005 0.000 0.962 5636 D HN 0.310 nan 8.370 nan 0.000 0.446 5637 N N 0.199 118.906 118.700 0.012 0.000 2.664 5637 N HA 0.222 4.962 4.740 0.000 0.000 0.257 5637 N C -2.712 172.811 175.510 0.020 0.000 1.108 5637 N CA -1.037 52.021 53.050 0.014 0.000 0.822 5637 N CB 2.126 40.618 38.487 0.008 0.000 1.199 5637 N HN -0.138 nan 8.380 nan 0.000 0.529 5638 P HA 0.060 nan 4.420 nan 0.000 0.271 5638 P C -0.918 176.406 177.300 0.040 0.000 1.226 5638 P CA -0.083 63.039 63.100 0.036 0.000 0.765 5638 P CB 0.628 32.357 31.700 0.048 0.000 0.835 5639 D N 2.458 122.876 120.400 0.030 0.000 2.393 5639 D HA 0.267 4.907 4.640 0.000 0.000 0.232 5639 D C 1.227 177.547 176.300 0.032 0.000 1.192 5639 D CA -0.218 53.799 54.000 0.028 0.000 0.882 5639 D CB 0.721 41.533 40.800 0.021 0.000 1.038 5639 D HN 0.279 nan 8.370 nan 0.000 0.499 5640 A N 4.125 126.970 122.820 0.043 0.000 1.908 5640 A HA -0.117 4.203 4.320 0.000 0.000 0.218 5640 A C 2.135 179.735 177.584 0.027 0.000 1.181 5640 A CA 1.880 53.941 52.037 0.041 0.000 0.627 5640 A CB -0.691 18.346 19.000 0.062 0.000 0.818 5640 A HN 0.633 nan 8.150 nan 0.000 0.445 5641 A N -0.707 122.128 122.820 0.025 0.000 1.933 5641 A HA -0.024 4.296 4.320 0.000 0.000 0.218 5641 A C 2.119 179.716 177.584 0.020 0.000 1.175 5641 A CA 1.754 53.804 52.037 0.020 0.000 0.628 5641 A CB -0.531 18.479 19.000 0.018 0.000 0.814 5641 A HN 0.756 nan 8.150 nan 0.000 0.444 5642 L N -0.436 120.800 121.223 0.021 0.000 2.109 5642 L HA 0.062 4.402 4.340 0.000 0.000 0.207 5642 L C 2.579 179.461 176.870 0.021 0.000 1.086 5642 L CA 2.040 56.892 54.840 0.020 0.000 0.760 5642 L CB -0.858 41.212 42.059 0.018 0.000 0.910 5642 L HN 0.306 nan 8.230 nan 0.000 0.437 5643 A N -0.459 122.372 122.820 0.019 0.000 1.902 5643 A HA -0.197 4.123 4.320 0.000 0.000 0.217 5643 A C 2.241 179.837 177.584 0.019 0.000 1.181 5643 A CA 1.879 53.925 52.037 0.015 0.000 0.623 5643 A CB -1.051 17.955 19.000 0.011 0.000 0.818 5643 A HN 0.472 nan 8.150 nan 0.000 0.443 5644 L N 0.950 122.186 121.223 0.021 0.000 2.012 5644 L HA -0.227 4.113 4.340 0.000 0.000 0.210 5644 L C 2.589 179.479 176.870 0.033 0.000 1.073 5644 L CA 2.844 57.700 54.840 0.026 0.000 0.748 5644 L CB -0.720 41.352 42.059 0.022 0.000 0.891 5644 L HN 0.709 nan 8.230 nan 0.000 0.431 5645 E N -0.766 119.453 120.200 0.031 0.000 2.110 5645 E HA -0.264 4.086 4.350 0.000 0.000 0.193 5645 E C 1.967 178.596 176.600 0.049 0.000 0.988 5645 E CA 1.351 57.773 56.400 0.037 0.000 0.804 5645 E CB -0.426 29.293 29.700 0.030 0.000 0.745 5645 E HN 0.543 nan 8.360 nan 0.000 0.458 5646 K N 0.714 121.141 120.400 0.045 0.000 2.057 5646 K HA -0.046 4.274 4.320 0.000 0.000 0.206 5646 K C 2.350 178.998 176.600 0.080 0.000 1.050 5646 K CA 1.152 57.473 56.287 0.056 0.000 0.935 5646 K CB -0.183 32.337 32.500 0.033 0.000 0.715 5646 K HN 0.215 nan 8.250 nan 0.000 0.439 5647 A N 1.708 124.564 122.820 0.059 0.000 1.933 5647 A HA -0.151 4.169 4.320 0.000 0.000 0.218 5647 A C 2.062 179.723 177.584 0.129 0.000 1.175 5647 A CA 1.191 53.274 52.037 0.077 0.000 0.628 5647 A CB -0.330 18.697 19.000 0.045 0.000 0.814 5647 A HN 0.201 nan 8.150 nan 0.000 0.444 5648 R N -0.767 119.789 120.500 0.094 0.000 2.115 5648 R HA 0.011 4.351 4.340 0.000 0.000 0.226 5648 R C 2.166 178.521 176.300 0.092 0.000 1.100 5648 R CA 1.012 57.163 56.100 0.085 0.000 0.980 5648 R CB -0.276 30.058 30.300 0.055 0.000 0.875 5648 R HN 0.495 nan 8.270 nan 0.000 0.445 5649 A N 0.595 123.477 122.820 0.104 0.000 2.169 5649 A HA -0.015 4.306 4.320 0.000 0.000 0.212 5649 A C 0.483 178.143 177.584 0.127 0.000 1.153 5649 A CA -0.249 51.842 52.037 0.091 0.000 0.756 5649 A CB -0.191 18.858 19.000 0.081 0.000 0.813 5649 A HN 0.221 nan 8.150 nan 0.000 0.471 5650 F N 1.795 121.757 119.950 0.020 0.000 2.578 5650 F HA 0.287 4.814 4.527 0.000 0.000 0.376 5650 F C -1.323 174.492 175.800 0.024 0.000 1.085 5650 F CA -2.317 55.697 58.000 0.024 0.000 1.260 5650 F CB 0.851 39.866 39.000 0.025 0.000 1.095 5650 F HN 0.003 nan 8.300 nan 0.000 0.573 5651 P HA 0.155 nan 4.420 nan 0.000 0.226 5651 P C 0.099 177.073 177.300 -0.544 0.000 1.153 5651 P CA 1.234 64.042 63.100 -0.487 0.000 0.777 5651 P CB -0.258 31.215 31.700 -0.378 0.000 0.794 5652 G N -0.558 107.661 108.800 -0.968 0.000 2.675 5652 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 5652 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 5652 G C -0.200 174.574 174.900 -0.211 0.000 1.215 5652 G CA -0.661 44.241 45.100 -0.329 0.000 0.777 5652 G HN 0.094 nan 8.290 nan 0.000 0.638 5653 L N 1.261 122.516 121.223 0.052 0.000 2.418 5653 L HA 0.205 4.545 4.340 0.000 0.000 0.218 5653 L C 1.706 178.729 176.870 0.256 0.000 1.125 5653 L CA 0.658 55.599 54.840 0.168 0.000 0.835 5653 L CB -0.639 41.575 42.059 0.257 0.000 0.953 5653 L HN 0.682 nan 8.230 nan 0.000 0.454 5654 N N -0.297 118.520 118.700 0.194 0.000 2.452 5654 N HA 0.247 4.987 4.740 0.000 0.000 0.266 5654 N C 1.097 176.674 175.510 0.112 0.000 1.209 5654 N CA 0.740 53.949 53.050 0.264 0.000 0.929 5654 N CB 0.255 38.821 38.487 0.132 0.000 1.063 5654 N HN 0.312 nan 8.380 nan 0.000 0.472 5655 G N 3.172 112.013 108.800 0.070 0.000 2.176 5655 G HA2 -0.281 3.679 3.960 0.000 0.000 0.253 5655 G HA3 -0.281 3.679 3.960 0.000 0.000 0.253 5655 G C 0.087 174.964 174.900 -0.039 0.000 0.979 5655 G CA -0.132 44.958 45.100 -0.018 0.000 0.641 5655 G HN 0.579 nan 8.290 nan 0.000 0.530 5656 M N 1.999 121.590 119.600 -0.015 0.000 2.061 5656 M HA 0.354 4.834 4.480 0.000 0.000 0.346 5656 M C -0.829 175.448 176.300 -0.037 0.000 1.112 5656 M CA -0.655 54.635 55.300 -0.016 0.000 1.021 5656 M CB 0.754 33.361 32.600 0.012 0.000 1.530 5656 M HN 0.091 nan 8.290 nan 0.000 0.437 5657 D N 5.534 125.914 120.400 -0.032 0.000 2.352 5657 D HA 0.166 4.806 4.640 0.000 0.000 0.245 5657 D C 0.288 176.605 176.300 0.029 0.000 1.224 5657 D CA 0.070 54.057 54.000 -0.021 0.000 0.879 5657 D CB 0.569 41.382 40.800 0.022 0.000 1.057 5657 D HN 0.716 nan 8.370 nan 0.000 0.491 5658 L N 3.018 124.258 121.223 0.028 0.000 2.638 5658 L HA 0.222 4.562 4.340 0.000 0.000 0.232 5658 L C 2.349 179.264 176.870 0.075 0.000 1.099 5658 L CA -0.023 54.855 54.840 0.064 0.000 0.883 5658 L CB 0.053 42.160 42.059 0.081 0.000 1.136 5658 L HN 0.364 nan 8.230 nan 0.000 0.492 5659 A N 2.026 124.891 122.820 0.074 0.000 1.908 5659 A HA -0.253 4.067 4.320 0.000 0.000 0.218 5659 A C 2.352 180.038 177.584 0.169 0.000 1.181 5659 A CA 2.218 54.343 52.037 0.146 0.000 0.627 5659 A CB -0.410 18.689 19.000 0.166 0.000 0.818 5659 A HN 0.535 nan 8.150 nan 0.000 0.445 5660 K N -0.592 119.895 120.400 0.145 0.000 2.209 5660 K HA -0.136 4.185 4.320 0.000 0.000 0.204 5660 K C 1.131 177.769 176.600 0.063 0.000 1.048 5660 K CA 1.545 57.873 56.287 0.067 0.000 0.940 5660 K CB -0.169 32.340 32.500 0.015 0.000 0.729 5660 K HN 0.422 nan 8.250 nan 0.000 0.451 5661 E N 1.122 121.370 120.200 0.080 0.000 2.299 5661 E HA -0.055 4.295 4.350 0.000 0.000 0.193 5661 E C 1.873 178.530 176.600 0.095 0.000 0.998 5661 E CA 1.247 57.696 56.400 0.082 0.000 0.851 5661 E CB 0.563 30.317 29.700 0.090 0.000 0.795 5661 E HN 0.463 nan 8.360 nan 0.000 0.492 5662 V N -2.045 117.926 119.914 0.095 0.000 3.477 5662 V HA 0.214 4.334 4.120 0.000 0.000 0.297 5662 V C 0.967 177.117 176.094 0.094 0.000 1.433 5662 V CA -0.253 62.102 62.300 0.092 0.000 1.052 5662 V CB 0.323 32.153 31.823 0.012 0.000 0.895 5662 V HN -0.063 nan 8.190 nan 0.000 0.438 5663 T N 1.255 115.870 114.554 0.102 0.000 2.868 5663 T HA 0.286 4.636 4.350 0.000 0.000 0.292 5663 T C 0.445 175.208 174.700 0.104 0.000 1.028 5663 T CA 0.722 62.884 62.100 0.104 0.000 1.059 5663 T CB 1.160 70.095 68.868 0.112 0.000 0.991 5663 T HN 0.605 nan 8.240 nan 0.000 0.531 5664 T N 1.868 116.501 114.554 0.131 0.000 2.932 5664 T HA 0.381 4.731 4.350 0.000 0.000 0.312 5664 T C 1.377 176.141 174.700 0.107 0.000 1.071 5664 T CA 0.073 62.269 62.100 0.159 0.000 1.128 5664 T CB 0.097 69.163 68.868 0.330 0.000 0.984 5664 T HN 0.739 nan 8.240 nan 0.000 0.549 5665 A N 3.817 126.690 122.820 0.088 0.000 1.897 5665 A HA 0.147 4.467 4.320 0.000 0.000 0.215 5665 A C 0.801 178.424 177.584 0.065 0.000 1.181 5665 A CA 1.080 53.154 52.037 0.061 0.000 0.620 5665 A CB -0.242 18.786 19.000 0.046 0.000 0.821 5665 A HN 0.914 nan 8.150 nan 0.000 0.443 5666 E N -1.389 118.869 120.200 0.097 0.000 2.336 5666 E HA 0.683 5.033 4.350 0.000 0.000 0.267 5666 E C -0.543 176.162 176.600 0.176 0.000 0.906 5666 E CA -0.825 55.636 56.400 0.102 0.000 0.781 5666 E CB 1.596 31.346 29.700 0.083 0.000 1.261 5666 E HN 0.223 nan 8.360 nan 0.000 0.436 5667 A N 1.477 124.366 122.820 0.116 0.000 2.466 5667 A HA 0.422 4.742 4.320 0.000 0.000 0.238 5667 A C -0.908 176.807 177.584 0.217 0.000 1.074 5667 A CA 0.096 52.189 52.037 0.094 0.000 0.774 5667 A CB -0.301 18.709 19.000 0.016 0.000 1.015 5667 A HN 0.666 nan 8.150 nan 0.000 0.498 5668 Y N -0.931 119.400 120.300 0.051 0.000 2.581 5668 Y HA 0.674 5.224 4.550 0.000 0.000 0.337 5668 Y C -0.330 175.638 175.900 0.113 0.000 1.108 5668 Y CA -0.875 57.271 58.100 0.077 0.000 1.033 5668 Y CB 0.686 39.199 38.460 0.088 0.000 1.318 5668 Y HN 0.501 nan 8.280 nan 0.000 0.459 5669 S N 2.805 118.643 115.700 0.230 0.000 2.537 5669 S HA 0.372 4.842 4.470 0.000 0.000 0.275 5669 S C -1.544 173.220 174.600 0.273 0.000 1.272 5669 S CA -0.471 57.831 58.200 0.169 0.000 1.050 5669 S CB 0.359 63.620 63.200 0.102 0.000 0.961 5669 S HN 0.700 nan 8.310 nan 0.000 0.496 5670 W N 4.463 125.803 121.300 0.067 0.000 2.587 5670 W HA 0.336 4.996 4.660 0.000 0.000 0.324 5670 W C -0.195 176.358 176.519 0.056 0.000 1.008 5670 W CA -0.691 56.707 57.345 0.088 0.000 1.265 5670 W CB 1.335 30.836 29.460 0.069 0.000 1.328 5670 W HN 0.775 nan 8.180 nan 0.000 0.432 5671 T N 0.503 114.985 114.554 -0.120 0.000 3.275 5671 T HA 0.129 4.479 4.350 0.000 0.000 0.298 5671 T C -0.015 174.634 174.700 -0.085 0.000 0.988 5671 T CA -0.134 61.956 62.100 -0.017 0.000 0.936 5671 T CB 0.443 69.297 68.868 -0.023 0.000 1.159 5671 T HN 0.469 nan 8.240 nan 0.000 0.519 5672 Q N 0.926 120.556 119.800 -0.283 0.000 2.243 5672 Q HA 0.601 4.941 4.340 0.000 0.000 0.252 5672 Q C 0.269 176.410 176.000 0.234 0.000 0.909 5672 Q CA -0.571 55.166 55.803 -0.110 0.000 0.922 5672 Q CB 1.034 29.574 28.738 -0.330 0.000 1.215 5672 Q HN 0.514 nan 8.270 nan 0.000 0.427 5673 G N 1.832 110.711 108.800 0.131 0.000 2.537 5673 G HA2 0.283 4.243 3.960 0.000 0.000 0.297 5673 G HA3 0.283 4.243 3.960 0.000 0.000 0.297 5673 G C -0.647 174.343 174.900 0.150 0.000 1.310 5673 G CA -0.588 44.592 45.100 0.132 0.000 1.027 5673 G HN 0.625 nan 8.290 nan 0.000 0.505 5674 S N -1.012 114.756 115.700 0.112 0.000 2.593 5674 S HA 0.194 4.664 4.470 0.000 0.000 0.269 5674 S C -0.380 174.338 174.600 0.197 0.000 1.334 5674 S CA -0.390 57.898 58.200 0.146 0.000 1.015 5674 S CB 0.472 63.725 63.200 0.089 0.000 0.912 5674 S HN 0.463 nan 8.310 nan 0.000 0.541 5675 W N 2.826 124.147 121.300 0.035 0.000 2.184 5675 W HA 0.439 5.099 4.660 0.000 0.000 0.338 5675 W C 0.114 176.655 176.519 0.038 0.000 1.257 5675 W CA -0.152 57.215 57.345 0.037 0.000 1.243 5675 W CB 0.428 29.912 29.460 0.040 0.000 1.122 5675 W HN 0.640 nan 8.180 nan 0.000 0.585 5676 T N 3.167 117.227 114.554 -0.823 0.000 2.883 5676 T HA 0.244 4.594 4.350 0.000 0.000 0.301 5676 T C 0.022 173.654 174.700 -1.780 0.000 1.158 5676 T CA -0.825 60.699 62.100 -0.961 0.000 1.007 5676 T CB 1.540 70.150 68.868 -0.430 0.000 1.186 5676 T HN 0.624 nan 8.240 nan 0.000 0.499 5677 L N 1.781 122.206 121.223 -1.329 0.000 2.012 5677 L HA 0.009 4.349 4.340 0.000 0.000 0.210 5677 L C 2.539 179.164 176.870 -0.408 0.000 1.073 5677 L CA 2.427 56.790 54.840 -0.795 0.000 0.748 5677 L CB -1.229 40.708 42.059 -0.203 0.000 0.891 5677 L HN 0.984 nan 8.230 nan 0.000 0.431 5678 T N -1.338 113.026 114.554 -0.315 0.000 2.812 5678 T HA -0.019 4.331 4.350 0.000 0.000 0.264 5678 T C 1.568 176.161 174.700 -0.179 0.000 1.042 5678 T CA 1.161 63.150 62.100 -0.184 0.000 1.140 5678 T CB -0.715 68.069 68.868 -0.139 0.000 0.870 5678 T HN 0.534 nan 8.240 nan 0.000 0.445 5679 G N -0.037 108.617 108.800 -0.243 0.000 2.673 5679 G HA2 0.485 4.445 3.960 0.000 0.000 0.208 5679 G HA3 0.485 4.445 3.960 0.000 0.000 0.208 5679 G C 0.807 175.592 174.900 -0.193 0.000 1.128 5679 G CA 0.417 45.411 45.100 -0.177 0.000 0.805 5679 G HN 0.864 nan 8.290 nan 0.000 0.526 5680 G N -0.295 108.268 108.800 -0.395 0.000 2.508 5680 G HA2 -0.166 3.794 3.960 0.000 0.000 0.220 5680 G HA3 -0.166 3.794 3.960 0.000 0.000 0.220 5680 G C -0.348 174.488 174.900 -0.107 0.000 1.287 5680 G CA -0.393 44.528 45.100 -0.299 0.000 0.916 5680 G HN 0.612 nan 8.290 nan 0.000 0.574 5681 L N 2.985 124.297 121.223 0.148 0.000 2.360 5681 L HA 0.406 4.746 4.340 0.000 0.000 0.276 5681 L C -1.099 175.808 176.870 0.060 0.000 1.121 5681 L CA -1.476 53.461 54.840 0.161 0.000 0.845 5681 L CB 0.774 42.951 42.059 0.197 0.000 1.143 5681 L HN 0.525 nan 8.230 nan 0.000 0.452 5682 P HA 0.037 nan 4.420 nan 0.000 0.273 5682 P C -1.019 176.275 177.300 -0.009 0.000 1.250 5682 P CA -0.550 62.552 63.100 0.004 0.000 0.793 5682 P CB 0.594 32.298 31.700 0.007 0.000 1.011 5683 Q N -0.059 119.726 119.800 -0.026 0.000 2.259 5683 Q HA 0.503 4.843 4.340 0.000 0.000 0.249 5683 Q C -0.265 175.698 176.000 -0.062 0.000 0.914 5683 Q CA -0.567 55.210 55.803 -0.043 0.000 0.904 5683 Q CB 0.722 29.437 28.738 -0.038 0.000 1.213 5683 Q HN 0.589 nan 8.270 nan 0.000 0.428 5684 A N 3.760 126.519 122.820 -0.100 0.000 2.565 5684 A HA 0.019 4.339 4.320 0.000 0.000 0.237 5684 A C -0.163 177.371 177.584 -0.082 0.000 1.053 5684 A CA 0.295 52.255 52.037 -0.128 0.000 0.755 5684 A CB 0.133 19.013 19.000 -0.200 0.000 0.980 5684 A HN 0.758 nan 8.150 nan 0.000 0.506 5685 K N 1.028 121.388 120.400 -0.067 0.000 2.143 5685 K HA 0.190 4.510 4.320 0.000 0.000 0.239 5685 K C -0.120 176.452 176.600 -0.048 0.000 1.048 5685 K CA -0.037 56.222 56.287 -0.047 0.000 0.867 5685 K CB 0.308 32.789 32.500 -0.032 0.000 1.088 5685 K HN 0.630 nan 8.250 nan 0.000 0.510 5686 K N 1.104 121.479 120.400 -0.041 0.000 2.130 5686 K HA 0.041 4.361 4.320 0.000 0.000 0.268 5686 K C 0.601 177.178 176.600 -0.038 0.000 0.983 5686 K CA -0.015 56.249 56.287 -0.039 0.000 0.893 5686 K CB 1.302 33.779 32.500 -0.037 0.000 1.066 5686 K HN 0.422 nan 8.250 nan 0.000 0.450 5687 E N 1.212 121.390 120.200 -0.037 0.000 2.187 5687 E HA -0.262 4.088 4.350 0.000 0.000 0.199 5687 E C 1.019 177.591 176.600 -0.047 0.000 1.004 5687 E CA 1.739 58.116 56.400 -0.038 0.000 0.813 5687 E CB 0.160 29.834 29.700 -0.044 0.000 0.736 5687 E HN 0.658 nan 8.360 nan 0.000 0.468 5688 D N 0.043 120.415 120.400 -0.047 0.000 2.363 5688 D HA -0.153 4.487 4.640 0.000 0.000 0.220 5688 D C 0.657 176.921 176.300 -0.059 0.000 0.994 5688 D CA 0.674 54.643 54.000 -0.051 0.000 0.890 5688 D CB -0.023 40.751 40.800 -0.043 0.000 0.906 5688 D HN 0.335 nan 8.370 nan 0.000 0.530 5689 E N -0.098 120.067 120.200 -0.058 0.000 2.479 5689 E HA 0.205 4.555 4.350 0.000 0.000 0.193 5689 E C 0.027 176.572 176.600 -0.091 0.000 1.049 5689 E CA -0.065 56.295 56.400 -0.066 0.000 0.870 5689 E CB 0.456 30.125 29.700 -0.052 0.000 0.944 5689 E HN 0.273 nan 8.360 nan 0.000 0.492 5690 L N 1.763 122.929 121.223 -0.095 0.000 2.316 5690 L HA 0.294 4.634 4.340 0.000 0.000 0.280 5690 L C -1.854 174.905 176.870 -0.185 0.000 1.006 5690 L CA -1.829 52.933 54.840 -0.130 0.000 0.836 5690 L CB 1.546 43.573 42.059 -0.054 0.000 1.221 5690 L HN -0.167 nan 8.230 nan 0.000 0.418 5691 P HA -0.045 nan 4.420 nan 0.000 0.216 5691 P C -0.041 177.047 177.300 -0.354 0.000 1.153 5691 P CA 1.116 63.930 63.100 -0.476 0.000 0.844 5691 P CB 0.129 31.337 31.700 -0.821 0.000 0.787 5692 F N -1.224 118.744 119.950 0.029 0.000 2.403 5692 F HA 0.424 4.951 4.527 0.000 0.000 0.326 5692 F C 0.953 176.826 175.800 0.121 0.000 1.081 5692 F CA -1.321 56.707 58.000 0.046 0.000 1.041 5692 F CB -0.004 38.988 39.000 -0.014 0.000 1.234 5692 F HN -0.075 nan 8.300 nan 0.000 0.503 5693 H N 0.940 120.142 119.070 0.219 0.000 2.727 5693 H HA 0.658 5.214 4.556 0.000 0.000 0.330 5693 H C -1.934 173.470 175.328 0.127 0.000 0.986 5693 H CA -0.587 55.541 56.048 0.134 0.000 1.251 5693 H CB 1.558 31.377 29.762 0.094 0.000 1.493 5693 H HN 0.474 nan 8.280 nan 0.000 0.515 5694 V N 6.129 126.009 119.914 -0.057 0.000 2.495 5694 V HA 0.185 4.305 4.120 0.000 0.000 0.298 5694 V C -0.156 175.829 176.094 -0.182 0.000 1.031 5694 V CA -0.819 61.433 62.300 -0.079 0.000 0.871 5694 V CB 1.903 33.824 31.823 0.163 0.000 0.988 5694 V HN 0.518 nan 8.190 nan 0.000 0.432 5695 V N 4.200 123.994 119.914 -0.200 0.000 2.383 5695 V HA 0.659 4.779 4.120 0.000 0.000 0.275 5695 V C 0.513 176.573 176.094 -0.055 0.000 1.036 5695 V CA -0.323 61.865 62.300 -0.187 0.000 0.889 5695 V CB 1.356 33.035 31.823 -0.239 0.000 0.985 5695 V HN 0.975 nan 8.190 nan 0.000 0.459 5696 A N 5.188 127.974 122.820 -0.057 0.000 2.258 5696 A HA 0.684 5.004 4.320 0.000 0.000 0.316 5696 A C -0.913 176.573 177.584 -0.163 0.000 1.279 5696 A CA -0.440 51.620 52.037 0.040 0.000 0.876 5696 A CB 0.189 19.248 19.000 0.099 0.000 1.170 5696 A HN 0.708 nan 8.150 nan 0.000 0.520 5697 Y N 1.602 121.700 120.300 -0.338 0.000 2.402 5697 Y HA 0.200 4.750 4.550 0.000 0.000 0.333 5697 Y C 0.568 175.945 175.900 -0.872 0.000 1.076 5697 Y CA 0.484 58.215 58.100 -0.616 0.000 1.299 5697 Y CB 0.928 38.894 38.460 -0.823 0.000 1.197 5697 Y HN 0.726 nan 8.280 nan 0.000 0.517 5698 D N 3.693 123.787 120.400 -0.512 0.000 2.441 5698 D HA 0.120 4.760 4.640 0.000 0.000 0.221 5698 D C -0.544 175.593 176.300 -0.272 0.000 1.156 5698 D CA -0.091 53.709 54.000 -0.334 0.000 0.896 5698 D CB -0.048 40.686 40.800 -0.111 0.000 1.028 5698 D HN 0.283 nan 8.370 nan 0.000 0.509 5699 F N 1.668 121.648 119.950 0.050 0.000 2.664 5699 F HA 0.376 4.903 4.527 0.000 0.000 0.303 5699 F C 1.618 177.414 175.800 -0.007 0.000 1.092 5699 F CA -0.320 57.697 58.000 0.028 0.000 1.305 5699 F CB 0.254 39.242 39.000 -0.020 0.000 1.054 5699 F HN 0.540 nan 8.300 nan 0.000 0.565 5700 G N 0.727 109.590 108.800 0.105 0.000 2.932 5700 G HA2 0.190 4.150 3.960 0.000 0.000 0.180 5700 G HA3 0.190 4.150 3.960 0.000 0.000 0.180 5700 G C -0.158 174.743 174.900 0.002 0.000 1.072 5700 G CA -0.578 44.530 45.100 0.013 0.000 0.997 5700 G HN 0.515 nan 8.290 nan 0.000 0.541 5701 A N 0.684 123.510 122.820 0.009 0.000 2.401 5701 A HA 0.698 5.018 4.320 0.000 0.000 0.259 5701 A C 0.681 178.255 177.584 -0.017 0.000 1.103 5701 A CA 0.088 52.129 52.037 0.006 0.000 0.789 5701 A CB 0.505 19.501 19.000 -0.007 0.000 1.035 5701 A HN 0.508 nan 8.150 nan 0.000 0.491 5702 K N 1.696 122.088 120.400 -0.013 0.000 2.234 5702 K HA 0.214 4.534 4.320 0.000 0.000 0.282 5702 K C 0.832 177.367 176.600 -0.109 0.000 1.039 5702 K CA -0.471 55.804 56.287 -0.021 0.000 0.928 5702 K CB 1.238 33.747 32.500 0.016 0.000 1.039 5702 K HN 0.715 nan 8.250 nan 0.000 0.470 5703 R N 1.440 121.865 120.500 -0.124 0.000 2.154 5703 R HA -0.266 4.074 4.340 0.000 0.000 0.248 5703 R C 1.553 177.733 176.300 -0.200 0.000 1.155 5703 R CA 1.701 57.648 56.100 -0.254 0.000 0.979 5703 R CB -0.404 29.883 30.300 -0.021 0.000 0.869 5703 R HN 0.561 nan 8.270 nan 0.000 0.452 5704 N N 0.835 119.486 118.700 -0.082 0.000 2.166 5704 N HA -0.082 4.658 4.740 0.000 0.000 0.186 5704 N C 1.654 177.090 175.510 -0.124 0.000 1.019 5704 N CA 1.025 54.037 53.050 -0.064 0.000 0.856 5704 N CB -0.028 38.447 38.487 -0.021 0.000 0.993 5704 N HN 0.162 nan 8.380 nan 0.000 0.426 5705 I N 0.319 120.827 120.570 -0.104 0.000 2.127 5705 I HA -0.311 3.860 4.170 0.000 0.000 0.241 5705 I C 1.899 177.844 176.117 -0.286 0.000 1.075 5705 I CA 1.048 62.290 61.300 -0.097 0.000 1.334 5705 I CB -0.524 37.442 38.000 -0.057 0.000 1.040 5705 I HN 0.208 nan 8.210 nan 0.000 0.405 5706 L N 0.196 121.186 121.223 -0.388 0.000 1.989 5706 L HA -0.239 4.102 4.340 0.000 0.000 0.211 5706 L C 2.797 179.503 176.870 -0.273 0.000 1.071 5706 L CA 1.637 56.166 54.840 -0.518 0.000 0.749 5706 L CB -0.828 40.496 42.059 -1.226 0.000 0.890 5706 L HN 0.181 nan 8.230 nan 0.000 0.431 5707 R N -0.277 120.128 120.500 -0.159 0.000 2.103 5707 R HA -0.165 4.175 4.340 0.000 0.000 0.242 5707 R C 2.347 178.612 176.300 -0.059 0.000 1.142 5707 R CA 1.624 57.774 56.100 0.083 0.000 0.960 5707 R CB -0.316 30.067 30.300 0.137 0.000 0.858 5707 R HN 0.362 nan 8.270 nan 0.000 0.439 5708 M N 0.040 119.492 119.600 -0.246 0.000 2.229 5708 M HA -0.132 4.348 4.480 0.000 0.000 0.264 5708 M C 2.037 178.083 176.300 -0.423 0.000 1.063 5708 M CA 1.390 56.417 55.300 -0.454 0.000 1.114 5708 M CB -0.137 31.967 32.600 -0.827 0.000 1.387 5708 M HN 0.157 nan 8.290 nan 0.000 0.420 5709 L N -0.827 120.219 121.223 -0.295 0.000 2.072 5709 L HA -0.128 4.212 4.340 0.000 0.000 0.205 5709 L C 2.420 179.302 176.870 0.019 0.000 1.079 5709 L CA 0.613 55.408 54.840 -0.075 0.000 0.752 5709 L CB -0.492 41.555 42.059 -0.020 0.000 0.906 5709 L HN 0.065 nan 8.230 nan 0.000 0.436 5710 V N -0.126 119.810 119.914 0.037 0.000 2.490 5710 V HA -0.288 3.832 4.120 0.000 0.000 0.250 5710 V C 1.832 177.952 176.094 0.043 0.000 1.061 5710 V CA 1.751 64.105 62.300 0.090 0.000 1.064 5710 V CB -0.496 31.432 31.823 0.174 0.000 0.670 5710 V HN 0.442 nan 8.190 nan 0.000 0.461 5711 D N -0.196 120.205 120.400 0.002 0.000 2.310 5711 D HA -0.078 4.562 4.640 0.000 0.000 0.212 5711 D C 2.140 178.441 176.300 0.003 0.000 0.965 5711 D CA 0.803 54.796 54.000 -0.010 0.000 0.879 5711 D CB -0.138 40.633 40.800 -0.048 0.000 0.921 5711 D HN 0.418 nan 8.370 nan 0.000 0.510 5712 R N -0.952 119.564 120.500 0.027 0.000 2.362 5712 R HA 0.290 4.630 4.340 0.000 0.000 0.227 5712 R C 1.141 177.536 176.300 0.157 0.000 0.905 5712 R CA 0.442 56.597 56.100 0.091 0.000 1.067 5712 R CB 0.882 31.247 30.300 0.108 0.000 1.078 5712 R HN 0.108 nan 8.270 nan 0.000 0.516 5713 G N 0.265 109.102 108.800 0.061 0.000 2.184 5713 G HA2 -0.239 3.721 3.960 0.000 0.000 0.206 5713 G HA3 -0.239 3.721 3.960 0.000 0.000 0.206 5713 G C 0.128 175.011 174.900 -0.029 0.000 0.995 5713 G CA -0.457 44.592 45.100 -0.086 0.000 0.651 5713 G HN 0.306 nan 8.290 nan 0.000 0.511 5714 C N 2.020 121.408 119.300 0.147 0.000 2.482 5714 C HA 0.620 5.080 4.460 0.000 0.000 0.378 5714 C C 1.084 176.165 174.990 0.152 0.000 1.284 5714 C CA -0.666 58.466 59.018 0.191 0.000 1.826 5714 C CB -0.079 27.793 27.740 0.219 0.000 2.473 5714 C HN 0.600 nan 8.230 nan 0.000 0.562 5715 R N 3.821 124.419 120.500 0.163 0.000 2.265 5715 R HA 0.629 4.969 4.340 0.000 0.000 0.314 5715 R C -1.086 175.367 176.300 0.255 0.000 1.053 5715 R CA -0.267 55.934 56.100 0.169 0.000 0.931 5715 R CB 0.356 30.724 30.300 0.114 0.000 1.024 5715 R HN 0.785 nan 8.270 nan 0.000 0.457 5716 L N 2.802 124.166 121.223 0.235 0.000 2.330 5716 L HA 0.546 4.886 4.340 0.000 0.000 0.271 5716 L C -0.417 176.555 176.870 0.170 0.000 1.013 5716 L CA -1.029 53.938 54.840 0.212 0.000 0.816 5716 L CB 2.404 44.562 42.059 0.165 0.000 1.287 5716 L HN 0.635 nan 8.230 nan 0.000 0.435 5717 T N 2.841 117.452 114.554 0.097 0.000 2.930 5717 T HA 0.484 4.834 4.350 0.000 0.000 0.313 5717 T C -0.453 174.151 174.700 -0.160 0.000 1.019 5717 T CA -0.349 61.759 62.100 0.013 0.000 1.004 5717 T CB 0.829 69.783 68.868 0.144 0.000 0.987 5717 T HN 0.146 nan 8.240 nan 0.000 0.456 5718 I N 4.772 125.113 120.570 -0.383 0.000 2.325 5718 I HA 0.391 4.561 4.170 0.000 0.000 0.291 5718 I C 0.593 176.461 176.117 -0.416 0.000 1.019 5718 I CA -1.339 59.655 61.300 -0.511 0.000 1.302 5718 I CB 0.354 37.767 38.000 -0.979 0.000 1.401 5718 I HN 0.398 nan 8.210 nan 0.000 0.485 5719 V N 5.472 125.181 119.914 -0.341 0.000 2.769 5719 V HA 0.722 4.842 4.120 0.000 0.000 0.312 5719 V C -2.628 173.314 176.094 -0.255 0.000 1.058 5719 V CA -2.596 59.531 62.300 -0.289 0.000 0.952 5719 V CB 1.561 33.142 31.823 -0.404 0.000 1.019 5719 V HN 0.436 nan 8.190 nan 0.000 0.445 5720 P HA 0.174 nan 4.420 nan 0.000 0.266 5720 P C 0.873 178.175 177.300 0.002 0.000 1.195 5720 P CA 0.756 63.832 63.100 -0.041 0.000 0.768 5720 P CB 0.920 32.618 31.700 -0.003 0.000 0.838 5721 A N 4.031 126.919 122.820 0.114 0.000 1.940 5721 A HA -0.302 4.018 4.320 0.000 0.000 0.221 5721 A C 1.666 179.527 177.584 0.462 0.000 1.190 5721 A CA 1.954 54.239 52.037 0.413 0.000 0.647 5721 A CB -1.257 17.992 19.000 0.415 0.000 0.821 5721 A HN 0.690 nan 8.150 nan 0.000 0.457 5722 Q N -0.250 119.592 119.800 0.069 0.000 2.444 5722 Q HA 0.070 4.410 4.340 0.000 0.000 0.206 5722 Q C -0.117 175.984 176.000 0.169 0.000 0.948 5722 Q CA 0.183 55.968 55.803 -0.030 0.000 0.946 5722 Q CB -0.216 28.319 28.738 -0.339 0.000 1.027 5722 Q HN 0.512 nan 8.270 nan 0.000 0.513 5723 T N 1.902 116.584 114.554 0.212 0.000 2.905 5723 T HA -0.005 4.345 4.350 0.000 0.000 0.299 5723 T C 0.455 175.339 174.700 0.306 0.000 1.024 5723 T CA 0.112 62.301 62.100 0.150 0.000 1.151 5723 T CB 0.613 69.417 68.868 -0.106 0.000 0.987 5723 T HN 0.344 nan 8.240 nan 0.000 0.535 5724 S N 2.708 118.523 115.700 0.192 0.000 2.584 5724 S HA 0.343 4.813 4.470 0.000 0.000 0.270 5724 S C 1.691 176.433 174.600 0.235 0.000 1.346 5724 S CA -0.353 57.954 58.200 0.178 0.000 1.018 5724 S CB 0.704 63.964 63.200 0.100 0.000 0.899 5724 S HN 0.775 nan 8.310 nan 0.000 0.542 5725 A N 2.308 125.180 122.820 0.086 0.000 1.930 5725 A HA 0.012 4.332 4.320 0.000 0.000 0.217 5725 A C 1.986 179.681 177.584 0.184 0.000 1.175 5725 A CA 1.680 53.707 52.037 -0.016 0.000 0.627 5725 A CB -1.070 17.590 19.000 -0.567 0.000 0.815 5725 A HN 0.899 nan 8.150 nan 0.000 0.443 5726 E N 0.914 121.173 120.200 0.099 0.000 2.031 5726 E HA -0.142 4.208 4.350 0.000 0.000 0.193 5726 E C 1.576 178.254 176.600 0.131 0.000 0.994 5726 E CA 1.459 57.922 56.400 0.104 0.000 0.800 5726 E CB -0.341 29.397 29.700 0.063 0.000 0.752 5726 E HN 0.588 nan 8.360 nan 0.000 0.447 5727 D N 0.025 120.497 120.400 0.121 0.000 2.221 5727 D HA -0.125 4.515 4.640 0.000 0.000 0.204 5727 D C 1.889 178.262 176.300 0.121 0.000 0.982 5727 D CA 0.797 54.859 54.000 0.104 0.000 0.857 5727 D CB 0.042 40.889 40.800 0.077 0.000 0.934 5727 D HN 0.053 nan 8.370 nan 0.000 0.475 5728 V N 1.296 121.327 119.914 0.195 0.000 2.283 5728 V HA -0.171 3.949 4.120 0.000 0.000 0.243 5728 V C 2.685 178.880 176.094 0.168 0.000 1.039 5728 V CA 0.864 63.276 62.300 0.187 0.000 1.016 5728 V CB -0.383 31.660 31.823 0.366 0.000 0.650 5728 V HN 0.172 nan 8.190 nan 0.000 0.449 5729 L N -0.300 121.072 121.223 0.250 0.000 2.129 5729 L HA -0.231 4.109 4.340 0.000 0.000 0.212 5729 L C 2.339 179.295 176.870 0.143 0.000 1.087 5729 L CA 1.599 56.561 54.840 0.204 0.000 0.757 5729 L CB -0.583 41.614 42.059 0.231 0.000 0.896 5729 L HN 0.290 nan 8.230 nan 0.000 0.434 5730 K N -0.308 120.167 120.400 0.125 0.000 2.555 5730 K HA -0.021 4.299 4.320 0.000 0.000 0.193 5730 K C 1.666 178.328 176.600 0.102 0.000 1.032 5730 K CA 0.484 56.831 56.287 0.100 0.000 1.004 5730 K CB 0.130 32.681 32.500 0.085 0.000 0.804 5730 K HN 0.369 nan 8.250 nan 0.000 0.496 5731 M N -0.726 118.944 119.600 0.117 0.000 2.441 5731 M HA 0.050 4.530 4.480 0.000 0.000 0.244 5731 M C -0.369 176.042 176.300 0.185 0.000 1.122 5731 M CA 0.200 55.589 55.300 0.148 0.000 1.041 5731 M CB -0.039 32.647 32.600 0.143 0.000 1.438 5731 M HN 0.050 nan 8.290 nan 0.000 0.484 5732 N N 1.044 119.833 118.700 0.148 0.000 2.688 5732 N HA -0.106 4.634 4.740 0.000 0.000 0.258 5732 N C -2.661 172.964 175.510 0.192 0.000 1.016 5732 N CA 0.052 53.199 53.050 0.162 0.000 0.747 5732 N CB -1.132 37.439 38.487 0.141 0.000 0.895 5732 N HN 0.276 nan 8.380 nan 0.000 0.543 5733 P HA 0.126 nan 4.420 nan 0.000 0.275 5733 P C 0.096 177.451 177.300 0.092 0.000 1.227 5733 P CA -0.151 62.934 63.100 -0.025 0.000 0.781 5733 P CB 0.742 32.334 31.700 -0.180 0.000 0.906 5734 D N 0.540 120.998 120.400 0.097 0.000 2.312 5734 D HA 0.096 4.736 4.640 0.000 0.000 0.211 5734 D C 1.070 177.372 176.300 0.003 0.000 0.964 5734 D CA 1.185 55.288 54.000 0.173 0.000 0.877 5734 D CB 0.151 41.053 40.800 0.170 0.000 0.924 5734 D HN 0.611 nan 8.370 nan 0.000 0.515 5735 G N -0.357 108.406 108.800 -0.061 0.000 2.489 5735 G HA2 0.471 4.431 3.960 0.000 0.000 0.291 5735 G HA3 0.471 4.431 3.960 0.000 0.000 0.291 5735 G C -1.657 173.284 174.900 0.070 0.000 1.487 5735 G CA -0.833 44.247 45.100 -0.034 0.000 0.795 5735 G HN -0.000 nan 8.290 nan 0.000 0.513 5736 I N 0.632 121.277 120.570 0.124 0.000 2.406 5736 I HA 0.487 4.657 4.170 0.000 0.000 0.290 5736 I C -1.039 175.165 176.117 0.145 0.000 0.999 5736 I CA -0.764 60.545 61.300 0.016 0.000 1.124 5736 I CB 2.024 39.824 38.000 -0.334 0.000 1.289 5736 I HN 0.427 nan 8.210 nan 0.000 0.441 5737 F N 7.445 127.393 119.950 -0.003 0.000 2.436 5737 F HA 0.620 5.147 4.527 0.000 0.000 0.340 5737 F C -1.098 174.625 175.800 -0.127 0.000 1.113 5737 F CA -0.760 57.168 58.000 -0.121 0.000 1.022 5737 F CB 1.033 40.011 39.000 -0.037 0.000 1.128 5737 F HN 0.184 nan 8.300 nan 0.000 0.466 5738 L N 6.414 126.806 121.223 -1.385 0.000 2.276 5738 L HA 0.418 4.758 4.340 0.000 0.000 0.286 5738 L C 0.418 176.554 176.870 -1.223 0.000 1.024 5738 L CA -0.744 53.564 54.840 -0.887 0.000 0.826 5738 L CB 1.119 42.955 42.059 -0.371 0.000 1.211 5738 L HN 0.747 nan 8.230 nan 0.000 0.422 5739 S N 2.988 118.263 115.700 -0.708 0.000 2.626 5739 S HA 0.248 4.719 4.470 0.000 0.000 0.257 5739 S C 0.110 174.716 174.600 0.010 0.000 1.288 5739 S CA -0.758 57.298 58.200 -0.240 0.000 0.980 5739 S CB 0.700 63.886 63.200 -0.024 0.000 0.975 5739 S HN 0.758 nan 8.310 nan 0.000 0.577 5740 N N 0.174 118.899 118.700 0.041 0.000 2.413 5740 N HA 0.619 5.359 4.740 0.000 0.000 0.266 5740 N C 0.067 175.617 175.510 0.067 0.000 1.238 5740 N CA -0.228 52.832 53.050 0.017 0.000 0.972 5740 N CB 0.874 39.363 38.487 0.002 0.000 1.210 5740 N HN 1.042 nan 8.380 nan 0.000 0.547 5741 G N -1.077 107.732 108.800 0.015 0.000 2.328 5741 G HA2 0.337 4.297 3.960 0.000 0.000 0.295 5741 G HA3 0.337 4.297 3.960 0.000 0.000 0.295 5741 G C -3.322 171.565 174.900 -0.022 0.000 1.413 5741 G CA -0.836 44.276 45.100 0.020 0.000 0.817 5741 G HN 0.500 nan 8.290 nan 0.000 0.546 5742 P HA 0.537 nan 4.420 nan 0.000 0.277 5742 P C 1.033 178.340 177.300 0.011 0.000 1.271 5742 P CA 1.170 64.277 63.100 0.011 0.000 0.795 5742 P CB 0.765 32.488 31.700 0.038 0.000 1.101 5743 G N 0.060 108.907 108.800 0.077 0.000 2.641 5743 G HA2 -0.204 3.756 3.960 0.000 0.000 0.254 5743 G HA3 -0.204 3.756 3.960 0.000 0.000 0.254 5743 G C -0.725 174.099 174.900 -0.126 0.000 1.315 5743 G CA -0.007 45.140 45.100 0.078 0.000 0.907 5743 G HN 0.698 nan 8.290 nan 0.000 0.572 5744 D N 0.987 121.161 120.400 -0.378 0.000 2.277 5744 D HA 0.478 5.118 4.640 0.000 0.000 0.249 5744 D C -0.464 175.456 176.300 -0.632 0.000 1.134 5744 D CA -1.731 51.656 54.000 -1.022 0.000 0.863 5744 D CB 1.542 41.969 40.800 -0.622 0.000 1.143 5744 D HN 0.050 nan 8.370 nan 0.000 0.458 5745 P HA -0.011 nan 4.420 nan 0.000 0.222 5745 P C 1.038 178.069 177.300 -0.448 0.000 1.153 5745 P CA 0.583 63.379 63.100 -0.507 0.000 0.798 5745 P CB 0.169 31.591 31.700 -0.463 0.000 0.796 5746 A N 1.546 124.114 122.820 -0.421 0.000 1.917 5746 A HA -0.131 4.189 4.320 0.000 0.000 0.219 5746 A C -0.215 177.199 177.584 -0.282 0.000 1.182 5746 A CA 2.054 53.903 52.037 -0.313 0.000 0.633 5746 A CB -2.360 16.492 19.000 -0.247 0.000 0.819 5746 A HN 0.266 nan 8.150 nan 0.000 0.448 5747 P HA 0.119 nan 4.420 nan 0.000 0.253 5747 P C -0.452 176.679 177.300 -0.282 0.000 1.260 5747 P CA 0.161 63.132 63.100 -0.215 0.000 0.800 5747 P CB -0.609 31.006 31.700 -0.143 0.000 1.162 5748 C N 1.928 120.949 119.300 -0.465 0.000 2.484 5748 C HA 0.125 4.585 4.460 0.000 0.000 0.494 5748 C C 1.768 176.137 174.990 -1.036 0.000 1.052 5748 C CA -0.763 57.691 59.018 -0.940 0.000 1.307 5748 C CB -1.583 25.590 27.740 -0.946 0.000 1.464 5748 C HN 0.316 nan 8.230 nan 0.000 0.564 5749 D N 1.811 121.807 120.400 -0.673 0.000 2.116 5749 D HA -0.301 4.339 4.640 0.000 0.000 0.193 5749 D C 1.496 177.557 176.300 -0.397 0.000 0.998 5749 D CA 1.883 55.644 54.000 -0.398 0.000 0.836 5749 D CB -0.779 39.917 40.800 -0.173 0.000 0.951 5749 D HN 0.659 nan 8.370 nan 0.000 0.449 5750 Y N 0.083 120.335 120.300 -0.079 0.000 2.241 5750 Y HA 0.078 4.628 4.550 0.000 0.000 0.286 5750 Y C 2.562 178.419 175.900 -0.072 0.000 1.166 5750 Y CA 0.886 58.957 58.100 -0.049 0.000 1.203 5750 Y CB -1.083 37.380 38.460 0.005 0.000 0.977 5750 Y HN 0.120 nan 8.280 nan 0.000 0.529 5751 A N 0.909 123.471 122.820 -0.429 0.000 1.935 5751 A HA 0.044 4.364 4.320 0.000 0.000 0.214 5751 A C 2.184 179.581 177.584 -0.312 0.000 1.178 5751 A CA 1.184 53.073 52.037 -0.247 0.000 0.640 5751 A CB -0.973 17.791 19.000 -0.393 0.000 0.825 5751 A HN 0.509 nan 8.150 nan 0.000 0.447 5752 I N -0.266 120.077 120.570 -0.377 0.000 2.163 5752 I HA -0.243 3.927 4.170 0.000 0.000 0.243 5752 I C 2.619 178.602 176.117 -0.225 0.000 1.085 5752 I CA 1.775 62.901 61.300 -0.291 0.000 1.347 5752 I CB -0.613 37.216 38.000 -0.286 0.000 1.044 5752 I HN 0.221 nan 8.210 nan 0.000 0.408 5753 T N 0.666 115.100 114.554 -0.199 0.000 2.622 5753 T HA -0.218 4.132 4.350 0.000 0.000 0.266 5753 T C 2.090 176.658 174.700 -0.219 0.000 1.047 5753 T CA 1.705 63.706 62.100 -0.165 0.000 1.159 5753 T CB -0.448 68.353 68.868 -0.111 0.000 0.863 5753 T HN 0.488 nan 8.240 nan 0.000 0.422 5754 A N 0.913 123.595 122.820 -0.231 0.000 1.917 5754 A HA -0.096 4.224 4.320 0.000 0.000 0.219 5754 A C 2.301 179.475 177.584 -0.682 0.000 1.182 5754 A CA 1.541 53.325 52.037 -0.422 0.000 0.633 5754 A CB -0.931 17.938 19.000 -0.219 0.000 0.819 5754 A HN 0.538 nan 8.150 nan 0.000 0.448 5755 I N -0.886 119.479 120.570 -0.341 0.000 2.208 5755 I HA -0.344 3.826 4.170 0.000 0.000 0.245 5755 I C 2.789 178.806 176.117 -0.167 0.000 1.097 5755 I CA 1.779 62.989 61.300 -0.150 0.000 1.363 5755 I CB -0.340 37.593 38.000 -0.111 0.000 1.051 5755 I HN 0.426 nan 8.210 nan 0.000 0.413 5756 Q N 0.405 120.086 119.800 -0.198 0.000 2.112 5756 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 5756 Q C 2.168 178.080 176.000 -0.146 0.000 0.987 5756 Q CA 1.888 57.604 55.803 -0.145 0.000 0.858 5756 Q CB 0.010 28.665 28.738 -0.139 0.000 0.905 5756 Q HN 0.280 nan 8.270 nan 0.000 0.420 5757 K N -0.497 119.746 120.400 -0.262 0.000 2.057 5757 K HA -0.112 4.208 4.320 0.000 0.000 0.206 5757 K C 1.602 178.103 176.600 -0.165 0.000 1.050 5757 K CA 1.209 57.342 56.287 -0.256 0.000 0.935 5757 K CB -0.146 32.122 32.500 -0.387 0.000 0.715 5757 K HN 0.110 nan 8.250 nan 0.000 0.439 5758 F N 0.848 120.795 119.950 -0.004 0.000 2.126 5758 F HA -0.126 4.401 4.527 0.000 0.000 0.299 5758 F C 1.761 177.558 175.800 -0.005 0.000 1.096 5758 F CA 0.942 58.943 58.000 0.000 0.000 1.255 5758 F CB -0.816 38.182 39.000 -0.002 0.000 0.997 5758 F HN -0.063 nan 8.300 nan 0.000 0.479 5759 L N -0.350 120.947 121.223 0.123 0.000 2.450 5759 L HA -0.166 4.174 4.340 0.000 0.000 0.224 5759 L C 1.987 178.890 176.870 0.055 0.000 1.149 5759 L CA 1.087 55.972 54.840 0.075 0.000 0.816 5759 L CB -0.629 41.451 42.059 0.035 0.000 0.932 5759 L HN 0.249 nan 8.230 nan 0.000 0.449 5760 E N -0.590 119.636 120.200 0.043 0.000 2.230 5760 E HA -0.069 4.281 4.350 0.000 0.000 0.192 5760 E C 1.259 177.896 176.600 0.062 0.000 0.987 5760 E CA 0.736 57.158 56.400 0.037 0.000 0.841 5760 E CB 0.240 29.949 29.700 0.016 0.000 0.783 5760 E HN 0.497 nan 8.360 nan 0.000 0.481 5761 T N -1.568 113.040 114.554 0.090 0.000 2.833 5761 T HA 0.097 4.447 4.350 0.000 0.000 0.292 5761 T C 0.560 175.313 174.700 0.088 0.000 1.031 5761 T CA -0.565 61.599 62.100 0.106 0.000 0.937 5761 T CB 0.958 69.910 68.868 0.139 0.000 1.256 5761 T HN -0.279 nan 8.240 nan 0.000 0.551 5762 D N -0.410 120.049 120.400 0.098 0.000 2.431 5762 D HA 0.342 4.982 4.640 0.000 0.000 0.213 5762 D C 0.431 176.636 176.300 -0.158 0.000 1.130 5762 D CA -0.200 53.850 54.000 0.084 0.000 0.834 5762 D CB -0.029 40.895 40.800 0.207 0.000 0.985 5762 D HN 0.525 nan 8.370 nan 0.000 0.504 5763 I N 2.042 122.403 120.570 -0.349 0.000 2.754 5763 I HA 0.086 4.256 4.170 0.000 0.000 0.285 5763 I C -2.037 173.839 176.117 -0.402 0.000 1.166 5763 I CA -1.408 59.394 61.300 -0.830 0.000 1.417 5763 I CB 0.308 38.042 38.000 -0.443 0.000 1.382 5763 I HN -0.324 nan 8.210 nan 0.000 0.588 5764 P HA 0.200 nan 4.420 nan 0.000 0.276 5764 P C -0.838 176.581 177.300 0.199 0.000 1.230 5764 P CA -0.097 62.994 63.100 -0.014 0.000 0.776 5764 P CB 0.950 32.640 31.700 -0.016 0.000 0.888 5765 V N 4.889 124.953 119.914 0.250 0.000 2.531 5765 V HA 0.518 4.638 4.120 0.000 0.000 0.301 5765 V C -0.803 175.363 176.094 0.120 0.000 1.034 5765 V CA -0.414 61.980 62.300 0.157 0.000 0.865 5765 V CB 1.382 33.241 31.823 0.060 0.000 0.995 5765 V HN 0.387 nan 8.190 nan 0.000 0.424 5766 F N 3.334 123.026 119.950 -0.429 0.000 2.561 5766 F HA 0.873 5.400 4.527 0.000 0.000 0.313 5766 F C 0.163 175.547 175.800 -0.693 0.000 1.126 5766 F CA -0.812 56.722 58.000 -0.778 0.000 0.918 5766 F CB 2.034 40.174 39.000 -1.435 0.000 1.199 5766 F HN 0.575 nan 8.300 nan 0.000 0.444 5767 G N 5.947 114.130 108.800 -1.027 0.000 2.524 5767 G HA2 0.707 4.667 3.960 0.000 0.000 0.310 5767 G HA3 0.707 4.667 3.960 0.000 0.000 0.310 5767 G C -1.521 172.792 174.900 -0.977 0.000 1.279 5767 G CA -0.660 43.852 45.100 -0.981 0.000 0.974 5767 G HN 0.706 nan 8.290 nan 0.000 0.484 5771 G N -0.768 107.911 108.800 -0.202 0.000 2.448 5771 G HA2 -0.320 3.640 3.960 0.000 0.000 0.219 5771 G HA3 -0.320 3.640 3.960 0.000 0.000 0.219 5771 G C 1.268 175.997 174.900 -0.285 0.000 1.127 5771 G CA 1.368 46.313 45.100 -0.259 0.000 0.766 5771 G HN 0.688 nan 8.290 nan 0.000 0.552 5772 H N 0.098 118.957 119.070 -0.353 0.000 2.363 5772 H HA 0.070 4.626 4.556 0.000 0.000 0.301 5772 H C 2.551 177.723 175.328 -0.259 0.000 1.074 5772 H CA 1.790 57.651 56.048 -0.311 0.000 1.354 5772 H CB -0.089 29.483 29.762 -0.317 0.000 1.397 5772 H HN 0.391 nan 8.280 nan 0.000 0.516 5773 Q N 0.233 119.852 119.800 -0.301 0.000 2.084 5773 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 5773 Q C 2.469 178.257 176.000 -0.353 0.000 0.978 5773 Q CA 1.686 57.280 55.803 -0.348 0.000 0.844 5773 Q CB 0.011 28.604 28.738 -0.241 0.000 0.898 5773 Q HN 0.482 nan 8.270 nan 0.000 0.426 5774 L N 0.102 121.113 121.223 -0.353 0.000 2.083 5774 L HA -0.191 4.149 4.340 0.000 0.000 0.209 5774 L C 2.328 179.022 176.870 -0.294 0.000 1.083 5774 L CA 0.430 55.056 54.840 -0.357 0.000 0.752 5774 L CB -0.491 41.307 42.059 -0.434 0.000 0.899 5774 L HN 0.257 nan 8.230 nan 0.000 0.433 5775 L N 0.585 121.639 121.223 -0.282 0.000 1.990 5775 L HA -0.218 4.122 4.340 0.000 0.000 0.213 5775 L C 2.653 179.395 176.870 -0.213 0.000 1.072 5775 L CA 2.219 56.926 54.840 -0.222 0.000 0.755 5775 L CB -0.807 41.123 42.059 -0.215 0.000 0.889 5775 L HN 0.165 nan 8.230 nan 0.000 0.432 5776 A N -0.939 121.710 122.820 -0.285 0.000 1.972 5776 A HA -0.154 4.166 4.320 0.000 0.000 0.219 5776 A C 2.269 179.734 177.584 -0.198 0.000 1.169 5776 A CA 1.969 53.855 52.037 -0.251 0.000 0.635 5776 A CB -0.827 17.966 19.000 -0.345 0.000 0.810 5776 A HN 0.541 nan 8.150 nan 0.000 0.446 5777 L N -1.032 120.059 121.223 -0.221 0.000 2.044 5777 L HA -0.105 4.235 4.340 0.000 0.000 0.205 5777 L C 3.051 179.819 176.870 -0.169 0.000 1.075 5777 L CA 0.942 55.665 54.840 -0.196 0.000 0.747 5777 L CB -0.475 41.444 42.059 -0.233 0.000 0.903 5777 L HN 0.392 nan 8.230 nan 0.000 0.435 5778 A N -0.926 121.787 122.820 -0.178 0.000 2.024 5778 A HA -0.172 4.148 4.320 0.000 0.000 0.220 5778 A C 2.303 179.820 177.584 -0.110 0.000 1.164 5778 A CA 1.952 53.900 52.037 -0.149 0.000 0.643 5778 A CB -0.455 18.457 19.000 -0.147 0.000 0.806 5778 A HN 0.387 nan 8.150 nan 0.000 0.451 5779 S N -1.669 113.967 115.700 -0.106 0.000 2.593 5779 S HA 0.364 4.834 4.470 0.000 0.000 0.217 5779 S C 1.334 175.890 174.600 -0.072 0.000 0.966 5779 S CA 0.731 58.886 58.200 -0.075 0.000 0.914 5779 S CB 0.040 63.201 63.200 -0.064 0.000 0.776 5779 S HN 1.599 nan 8.310 nan 0.000 0.523 5780 G N 1.181 109.928 108.800 -0.088 0.000 2.141 5780 G HA2 -0.172 3.789 3.960 0.000 0.000 0.242 5780 G HA3 -0.172 3.789 3.960 0.000 0.000 0.242 5780 G C 0.170 175.023 174.900 -0.078 0.000 0.982 5780 G CA 0.027 45.079 45.100 -0.079 0.000 0.662 5780 G HN 0.799 nan 8.290 nan 0.000 0.527 5781 A N -0.557 122.206 122.820 -0.094 0.000 2.240 5781 A HA 0.826 5.146 4.320 0.000 0.000 0.292 5781 A C 0.468 177.993 177.584 -0.098 0.000 1.121 5781 A CA -0.115 51.868 52.037 -0.090 0.000 0.851 5781 A CB 0.780 19.718 19.000 -0.103 0.000 1.167 5781 A HN 0.308 nan 8.150 nan 0.000 0.503 5782 K N 0.005 120.354 120.400 -0.085 0.000 2.259 5782 K HA 0.547 4.868 4.320 0.000 0.000 0.249 5782 K C -0.682 175.870 176.600 -0.079 0.000 0.942 5782 K CA -0.402 55.836 56.287 -0.082 0.000 0.816 5782 K CB 2.025 34.490 32.500 -0.059 0.000 1.155 5782 K HN 0.881 nan 8.250 nan 0.000 0.428 5783 T N -1.840 112.666 114.554 -0.081 0.000 2.945 5783 T HA 0.704 5.054 4.350 0.000 0.000 0.286 5783 T C -0.068 174.637 174.700 0.008 0.000 1.025 5783 T CA -0.781 61.289 62.100 -0.051 0.000 1.039 5783 T CB 1.362 70.174 68.868 -0.094 0.000 1.068 5783 T HN 0.369 nan 8.240 nan 0.000 0.497 5784 V N -1.548 118.406 119.914 0.066 0.000 3.049 5784 V HA 0.714 4.834 4.120 0.000 0.000 0.309 5784 V C -0.711 175.464 176.094 0.135 0.000 1.148 5784 V CA -1.407 60.943 62.300 0.083 0.000 0.990 5784 V CB 1.807 33.638 31.823 0.014 0.000 1.039 5784 V HN 1.162 nan 8.190 nan 0.000 0.430 5785 K N 2.667 123.102 120.400 0.058 0.000 2.234 5785 K HA 0.640 4.960 4.320 0.000 0.000 0.282 5785 K C -0.128 176.330 176.600 -0.237 0.000 1.039 5785 K CA -0.605 55.538 56.287 -0.240 0.000 0.928 5785 K CB 1.163 33.414 32.500 -0.415 0.000 1.039 5785 K HN 0.815 nan 8.250 nan 0.000 0.470 5786 M N 2.884 122.297 119.600 -0.312 0.000 2.163 5786 M HA 0.116 4.596 4.480 0.000 0.000 0.305 5786 M C 1.507 177.656 176.300 -0.251 0.000 1.166 5786 M CA -0.070 55.061 55.300 -0.281 0.000 1.132 5786 M CB 0.588 32.953 32.600 -0.392 0.000 1.413 5786 M HN 0.610 nan 8.290 nan 0.000 0.478 5787 K N 0.930 121.190 120.400 -0.233 0.000 1.991 5787 K HA -0.170 4.150 4.320 0.000 0.000 0.212 5787 K C 1.102 177.684 176.600 -0.031 0.000 1.049 5787 K CA 2.238 58.452 56.287 -0.122 0.000 0.932 5787 K CB 0.030 32.476 32.500 -0.089 0.000 0.717 5787 K HN 0.742 nan 8.250 nan 0.000 0.441 5788 F N -2.638 117.264 119.950 -0.080 0.000 2.880 5788 F HA 0.435 4.963 4.527 0.000 0.000 0.346 5788 F C 0.400 176.120 175.800 -0.133 0.000 1.054 5788 F CA 0.016 57.968 58.000 -0.080 0.000 1.151 5788 F CB 0.272 39.267 39.000 -0.008 0.000 1.066 5788 F HN 0.204 nan 8.300 nan 0.000 0.566 5789 G N 1.080 109.587 108.800 -0.488 0.000 2.728 5789 G HA2 -0.131 3.829 3.960 0.000 0.000 0.294 5789 G HA3 -0.131 3.829 3.960 0.000 0.000 0.294 5789 G C -1.328 173.256 174.900 -0.525 0.000 1.342 5789 G CA -0.471 44.290 45.100 -0.565 0.000 0.866 5789 G HN 0.771 nan 8.290 nan 0.000 0.534 5790 H N -0.090 118.421 119.070 -0.931 0.000 2.646 5790 H HA 0.616 5.172 4.556 0.000 0.000 0.328 5790 H C -0.770 174.049 175.328 -0.848 0.000 0.998 5790 H CA -0.613 55.042 56.048 -0.656 0.000 1.225 5790 H CB 1.407 30.783 29.762 -0.644 0.000 1.457 5790 H HN 0.611 nan 8.280 nan 0.000 0.505 5791 H N 2.156 121.259 119.070 0.056 0.000 3.172 5791 H HA 0.522 5.078 4.556 0.000 0.000 0.322 5791 H C -0.088 175.335 175.328 0.159 0.000 1.003 5791 H CA -0.477 55.625 56.048 0.090 0.000 1.466 5791 H CB 1.732 31.527 29.762 0.055 0.000 1.673 5791 H HN 0.964 nan 8.280 nan 0.000 0.512 5792 G N 0.200 109.162 108.800 0.271 0.000 2.320 5792 G HA2 0.405 4.365 3.960 0.000 0.000 0.296 5792 G HA3 0.405 4.365 3.960 0.000 0.000 0.296 5792 G C -0.268 174.765 174.900 0.222 0.000 1.306 5792 G CA -0.220 45.040 45.100 0.266 0.000 0.836 5792 G HN 0.626 nan 8.290 nan 0.000 0.517 5793 G N -0.691 108.232 108.800 0.205 0.000 3.969 5793 G HA2 0.382 4.342 3.960 0.000 0.000 0.291 5793 G HA3 0.382 4.342 3.960 0.000 0.000 0.291 5793 G C 0.362 175.351 174.900 0.149 0.000 1.016 5793 G CA 0.658 45.856 45.100 0.163 0.000 0.819 5793 G HN 1.025 nan 8.290 nan 0.000 0.493 5794 N N -0.884 117.927 118.700 0.186 0.000 2.299 5794 N HA 0.098 4.838 4.740 0.000 0.000 0.246 5794 N C -0.502 175.039 175.510 0.051 0.000 1.254 5794 N CA -0.674 52.458 53.050 0.137 0.000 0.879 5794 N CB -0.554 38.044 38.487 0.185 0.000 1.214 5794 N HN 0.277 nan 8.380 nan 0.000 0.510 5795 H N 2.629 121.660 119.070 -0.065 0.000 2.944 5795 H HA 0.262 4.818 4.556 0.000 0.000 0.278 5795 H C -2.234 172.847 175.328 -0.412 0.000 1.083 5795 H CA -1.288 54.528 56.048 -0.386 0.000 1.479 5795 H CB 0.985 30.643 29.762 -0.173 0.000 1.486 5795 H HN 0.129 nan 8.280 nan 0.000 0.493 5796 P HA 0.032 nan 4.420 nan 0.000 0.282 5796 P C -0.985 176.220 177.300 -0.159 0.000 1.274 5796 P CA -0.120 62.771 63.100 -0.348 0.000 0.770 5796 P CB 1.371 32.816 31.700 -0.424 0.000 0.867 5797 V N 4.600 124.526 119.914 0.021 0.000 2.540 5797 V HA 0.384 4.504 4.120 0.000 0.000 0.302 5797 V C 0.353 176.536 176.094 0.148 0.000 1.035 5797 V CA -0.727 61.649 62.300 0.126 0.000 0.873 5797 V CB 2.131 34.088 31.823 0.224 0.000 0.992 5797 V HN 0.453 nan 8.190 nan 0.000 0.428 5798 K N 2.790 123.284 120.400 0.156 0.000 2.185 5798 K HA 0.332 4.652 4.320 0.000 0.000 0.269 5798 K C -0.665 176.047 176.600 0.187 0.000 0.987 5798 K CA -0.571 55.799 56.287 0.138 0.000 0.865 5798 K CB 1.131 33.674 32.500 0.072 0.000 1.090 5798 K HN 0.746 nan 8.250 nan 0.000 0.450 5799 D N 5.038 125.521 120.400 0.139 0.000 2.393 5799 D HA -0.012 4.628 4.640 0.000 0.000 0.232 5799 D C 1.181 177.427 176.300 -0.090 0.000 1.192 5799 D CA -0.380 53.578 54.000 -0.070 0.000 0.882 5799 D CB 1.163 41.969 40.800 0.010 0.000 1.038 5799 D HN 0.409 nan 8.370 nan 0.000 0.499 5800 V N 2.307 122.145 119.914 -0.127 0.000 2.407 5800 V HA -0.177 3.943 4.120 0.000 0.000 0.248 5800 V C 1.824 177.876 176.094 -0.071 0.000 1.055 5800 V CA 1.391 63.651 62.300 -0.067 0.000 1.049 5800 V CB -0.630 31.167 31.823 -0.043 0.000 0.662 5800 V HN 0.352 nan 8.190 nan 0.000 0.455 5801 E N 0.885 121.018 120.200 -0.112 0.000 2.023 5801 E HA -0.187 4.163 4.350 0.000 0.000 0.196 5801 E C 2.239 178.803 176.600 -0.060 0.000 1.003 5801 E CA 2.099 58.447 56.400 -0.086 0.000 0.809 5801 E CB -0.219 29.418 29.700 -0.107 0.000 0.755 5801 E HN 0.636 nan 8.360 nan 0.000 0.449 5802 K N -0.145 120.219 120.400 -0.059 0.000 2.365 5802 K HA 0.042 4.362 4.320 0.000 0.000 0.197 5802 K C 0.243 176.833 176.600 -0.016 0.000 1.042 5802 K CA 0.455 56.724 56.287 -0.031 0.000 0.987 5802 K CB 0.219 32.707 32.500 -0.021 0.000 0.779 5802 K HN 0.021 nan 8.250 nan 0.000 0.484 5803 N N 0.121 118.812 118.700 -0.016 0.000 2.756 5803 N HA -0.144 4.596 4.740 0.000 0.000 0.248 5803 N C -1.142 174.374 175.510 0.009 0.000 1.062 5803 N CA 0.787 53.836 53.050 -0.002 0.000 0.696 5803 N CB -1.307 37.179 38.487 -0.002 0.000 0.946 5803 N HN 0.092 nan 8.380 nan 0.000 0.548 5804 V N -3.313 116.612 119.914 0.017 0.000 3.074 5804 V HA 0.910 5.030 4.120 0.000 0.000 0.314 5804 V C 0.386 176.505 176.094 0.041 0.000 1.117 5804 V CA -0.937 61.379 62.300 0.026 0.000 1.014 5804 V CB 2.375 34.214 31.823 0.025 0.000 1.057 5804 V HN -0.048 nan 8.190 nan 0.000 0.438 5805 V N 3.134 123.068 119.914 0.034 0.000 2.513 5805 V HA 0.605 4.726 4.120 0.000 0.000 0.299 5805 V C -0.032 176.085 176.094 0.038 0.000 1.035 5805 V CA -0.409 61.912 62.300 0.035 0.000 0.889 5805 V CB 1.544 33.373 31.823 0.009 0.000 0.988 5805 V HN 0.931 nan 8.190 nan 0.000 0.440 5806 M N 5.050 124.681 119.600 0.051 0.000 2.465 5806 M HA 0.589 5.069 4.480 0.000 0.000 0.316 5806 M C -1.259 175.062 176.300 0.035 0.000 1.121 5806 M CA -0.745 54.584 55.300 0.048 0.000 0.934 5806 M CB 2.296 34.930 32.600 0.057 0.000 1.692 5806 M HN 0.291 nan 8.290 nan 0.000 0.444 5807 I N 2.927 123.514 120.570 0.029 0.000 2.342 5807 I HA 0.378 4.548 4.170 0.000 0.000 0.291 5807 I C 0.587 176.743 176.117 0.065 0.000 1.010 5807 I CA 0.071 61.382 61.300 0.018 0.000 1.308 5807 I CB 0.757 38.768 38.000 0.020 0.000 1.400 5807 I HN 0.780 nan 8.210 nan 0.000 0.488 5808 T N 2.463 117.070 114.554 0.088 0.000 2.864 5808 T HA 0.861 5.211 4.350 0.000 0.000 0.289 5808 T C -0.400 174.381 174.700 0.136 0.000 1.082 5808 T CA -0.961 61.217 62.100 0.130 0.000 1.009 5808 T CB 2.041 71.016 68.868 0.178 0.000 1.234 5808 T HN 0.608 nan 8.240 nan 0.000 0.526 5809 A N 1.262 124.165 122.820 0.139 0.000 2.290 5809 A HA 0.705 5.025 4.320 0.000 0.000 0.310 5809 A C -0.308 177.336 177.584 0.100 0.000 1.202 5809 A CA -0.638 51.478 52.037 0.132 0.000 0.837 5809 A CB 0.518 19.600 19.000 0.136 0.000 1.139 5809 A HN 0.679 nan 8.150 nan 0.000 0.509 5810 Q N 1.122 120.977 119.800 0.091 0.000 2.359 5810 Q HA 0.402 4.742 4.340 0.000 0.000 0.274 5810 Q C -1.551 174.477 176.000 0.047 0.000 1.074 5810 Q CA -0.619 55.212 55.803 0.046 0.000 0.810 5810 Q CB 2.341 31.056 28.738 -0.038 0.000 1.342 5810 Q HN 0.767 nan 8.270 nan 0.000 0.427 5811 N N 1.626 120.329 118.700 0.005 0.000 2.751 5811 N HA 0.149 4.889 4.740 0.000 0.000 0.234 5811 N C -2.101 173.323 175.510 -0.143 0.000 1.403 5811 N CA -0.230 52.777 53.050 -0.072 0.000 0.747 5811 N CB 0.275 38.731 38.487 -0.051 0.000 1.326 5811 N HN 0.727 nan 8.380 nan 0.000 0.532 5812 H N -1.713 117.084 119.070 -0.456 0.000 3.029 5812 H HA 0.589 5.145 4.556 0.000 0.000 0.358 5812 H C 0.337 175.459 175.328 -0.344 0.000 1.129 5812 H CA -1.058 54.813 56.048 -0.295 0.000 1.230 5812 H CB 1.322 30.938 29.762 -0.243 0.000 1.827 5812 H HN 0.106 nan 8.280 nan 0.000 0.530 5813 G N 1.687 110.399 108.800 -0.147 0.000 2.921 5813 G HA2 0.193 4.153 3.960 0.000 0.000 0.213 5813 G HA3 0.193 4.153 3.960 0.000 0.000 0.213 5813 G C -0.571 174.102 174.900 -0.378 0.000 1.143 5813 G CA 0.006 44.947 45.100 -0.265 0.000 0.764 5813 G HN 0.359 nan 8.290 nan 0.000 0.542 5814 F N -0.016 119.894 119.950 -0.065 0.000 2.594 5814 F HA 0.807 5.334 4.527 0.000 0.000 0.335 5814 F C 0.314 176.111 175.800 -0.005 0.000 1.058 5814 F CA -0.920 57.047 58.000 -0.056 0.000 0.981 5814 F CB 2.272 41.233 39.000 -0.065 0.000 1.289 5814 F HN 0.085 nan 8.300 nan 0.000 0.490 5815 A N 0.109 123.025 122.820 0.160 0.000 2.606 5815 A HA 0.727 5.047 4.320 0.000 0.000 0.293 5815 A C -1.903 175.692 177.584 0.018 0.000 1.082 5815 A CA -0.737 51.334 52.037 0.056 0.000 0.685 5815 A CB 1.181 20.182 19.000 0.001 0.000 1.284 5815 A HN 0.436 nan 8.150 nan 0.000 0.408 5816 V N 2.217 122.129 119.914 -0.004 0.000 2.432 5816 V HA 0.225 4.345 4.120 0.000 0.000 0.271 5816 V C -0.007 176.074 176.094 -0.022 0.000 1.046 5816 V CA -0.257 62.016 62.300 -0.045 0.000 0.945 5816 V CB 1.095 32.859 31.823 -0.099 0.000 0.992 5816 V HN 0.871 nan 8.190 nan 0.000 0.471 5817 D N 3.606 123.988 120.400 -0.030 0.000 2.417 5817 D HA -0.006 4.634 4.640 0.000 0.000 0.250 5817 D C 1.092 177.382 176.300 -0.017 0.000 1.166 5817 D CA 0.238 54.227 54.000 -0.019 0.000 0.881 5817 D CB 1.184 41.970 40.800 -0.023 0.000 1.164 5817 D HN 0.755 nan 8.370 nan 0.000 0.467 5818 E N 3.073 123.271 120.200 -0.003 0.000 2.152 5818 E HA -0.151 4.199 4.350 0.000 0.000 0.192 5818 E C 1.539 178.138 176.600 -0.002 0.000 0.983 5818 E CA 0.777 57.179 56.400 0.004 0.000 0.818 5818 E CB 0.066 29.776 29.700 0.017 0.000 0.758 5818 E HN 0.556 nan 8.360 nan 0.000 0.467 5819 A N 0.571 123.389 122.820 -0.004 0.000 2.067 5819 A HA -0.121 4.199 4.320 0.000 0.000 0.219 5819 A C 2.243 179.819 177.584 -0.012 0.000 1.158 5819 A CA 1.744 53.777 52.037 -0.006 0.000 0.661 5819 A CB -0.663 18.334 19.000 -0.006 0.000 0.801 5819 A HN 0.428 nan 8.150 nan 0.000 0.452 5820 T N -3.110 111.433 114.554 -0.019 0.000 3.122 5820 T HA 0.366 4.716 4.350 0.000 0.000 0.250 5820 T C 0.255 174.938 174.700 -0.030 0.000 1.067 5820 T CA -0.363 61.721 62.100 -0.026 0.000 0.966 5820 T CB -0.476 68.371 68.868 -0.035 0.000 1.002 5820 T HN 0.023 nan 8.240 nan 0.000 0.542 5821 L N 4.339 125.548 121.223 -0.023 0.000 2.500 5821 L HA 0.312 4.652 4.340 0.000 0.000 0.272 5821 L C -1.895 174.964 176.870 -0.018 0.000 1.149 5821 L CA -1.660 53.167 54.840 -0.022 0.000 0.897 5821 L CB 0.127 42.180 42.059 -0.011 0.000 1.178 5821 L HN 0.131 nan 8.230 nan 0.000 0.473 5822 P HA 0.048 nan 4.420 nan 0.000 0.268 5822 P C 0.198 177.493 177.300 -0.008 0.000 1.204 5822 P CA -0.212 62.877 63.100 -0.018 0.000 0.768 5822 P CB 0.867 32.552 31.700 -0.024 0.000 0.842 5823 A N 3.668 126.484 122.820 -0.006 0.000 2.131 5823 A HA -0.220 4.100 4.320 0.000 0.000 0.220 5823 A C 1.519 179.105 177.584 0.004 0.000 1.158 5823 A CA 1.737 53.774 52.037 -0.001 0.000 0.665 5823 A CB -1.416 17.582 19.000 -0.003 0.000 0.795 5823 A HN 0.810 nan 8.150 nan 0.000 0.460 5824 N N -1.261 117.443 118.700 0.006 0.000 2.383 5824 N HA 0.268 5.008 4.740 0.000 0.000 0.192 5824 N C -0.197 175.333 175.510 0.034 0.000 1.141 5824 N CA -0.109 52.951 53.050 0.016 0.000 0.851 5824 N CB -0.006 38.489 38.487 0.015 0.000 0.976 5824 N HN 0.368 nan 8.380 nan 0.000 0.465 5825 L N 1.827 123.068 121.223 0.029 0.000 2.343 5825 L HA 0.436 4.776 4.340 0.000 0.000 0.278 5825 L C -0.364 176.535 176.870 0.049 0.000 0.996 5825 L CA -1.106 53.764 54.840 0.050 0.000 0.831 5825 L CB 1.495 43.569 42.059 0.025 0.000 1.232 5825 L HN 0.280 nan 8.230 nan 0.000 0.413 5826 R N 2.547 123.091 120.500 0.072 0.000 2.540 5826 R HA 0.636 4.976 4.340 0.000 0.000 0.287 5826 R C -1.019 175.332 176.300 0.085 0.000 0.980 5826 R CA -0.809 55.324 56.100 0.055 0.000 0.966 5826 R CB 1.563 31.878 30.300 0.025 0.000 1.106 5826 R HN 0.217 nan 8.270 nan 0.000 0.480 5827 V N 3.162 123.113 119.914 0.061 0.000 2.446 5827 V HA 0.019 4.139 4.120 0.000 0.000 0.276 5827 V C 1.316 177.442 176.094 0.054 0.000 1.030 5827 V CA 0.592 62.937 62.300 0.074 0.000 1.033 5827 V CB 0.848 32.701 31.823 0.051 0.000 0.993 5827 V HN 1.119 nan 8.190 nan 0.000 0.477 5828 T N 1.036 115.643 114.554 0.089 0.000 3.015 5828 T HA 0.206 4.556 4.350 0.000 0.000 0.250 5828 T C 0.357 174.868 174.700 -0.314 0.000 1.057 5828 T CA 0.246 62.314 62.100 -0.054 0.000 1.066 5828 T CB 0.079 68.982 68.868 0.059 0.000 0.959 5828 T HN 0.688 nan 8.240 nan 0.000 0.488 5829 H N -0.041 119.109 119.070 0.133 0.000 3.086 5829 H HA 0.671 5.227 4.556 0.000 0.000 0.353 5829 H C -1.349 174.029 175.328 0.083 0.000 1.134 5829 H CA -0.892 55.238 56.048 0.137 0.000 1.248 5829 H CB 1.678 31.603 29.762 0.272 0.000 1.878 5829 H HN 0.104 nan 8.280 nan 0.000 0.527 5830 K N 0.664 121.177 120.400 0.188 0.000 2.385 5830 K HA 0.560 4.880 4.320 0.000 0.000 0.248 5830 K C -0.496 176.178 176.600 0.124 0.000 0.955 5830 K CA -1.069 55.292 56.287 0.123 0.000 0.816 5830 K CB 2.523 35.077 32.500 0.091 0.000 1.250 5830 K HN 0.464 nan 8.250 nan 0.000 0.434 5831 S N 1.547 117.328 115.700 0.135 0.000 2.548 5831 S HA 0.123 4.593 4.470 0.000 0.000 0.277 5831 S C 0.619 175.281 174.600 0.103 0.000 1.315 5831 S CA -0.516 57.788 58.200 0.174 0.000 1.050 5831 S CB 0.343 63.761 63.200 0.362 0.000 0.918 5831 S HN 0.503 nan 8.310 nan 0.000 0.497 5832 L N 4.686 125.904 121.223 -0.008 0.000 2.509 5832 L HA 0.308 4.648 4.340 0.000 0.000 0.222 5832 L C 1.374 178.275 176.870 0.052 0.000 1.123 5832 L CA 0.863 55.694 54.840 -0.014 0.000 0.856 5832 L CB -1.176 40.839 42.059 -0.074 0.000 0.985 5832 L HN 0.700 nan 8.230 nan 0.000 0.456 5833 F N 0.655 120.517 119.950 -0.147 0.000 2.187 5833 F HA -0.056 4.471 4.527 0.000 0.000 0.295 5833 F C 1.588 177.372 175.800 -0.026 0.000 1.091 5833 F CA 1.087 58.982 58.000 -0.176 0.000 1.308 5833 F CB -0.228 38.511 39.000 -0.436 0.000 1.030 5833 F HN 0.333 nan 8.300 nan 0.000 0.487 5834 D N -3.234 117.319 120.400 0.254 0.000 2.563 5834 D HA 0.220 4.860 4.640 0.000 0.000 0.256 5834 D C 1.445 177.836 176.300 0.153 0.000 1.400 5834 D CA 0.603 54.718 54.000 0.191 0.000 0.800 5834 D CB -0.238 40.688 40.800 0.211 0.000 1.145 5834 D HN 0.249 nan 8.370 nan 0.000 0.501 5835 G N 0.809 109.697 108.800 0.147 0.000 2.189 5835 G HA2 -0.318 3.642 3.960 0.000 0.000 0.267 5835 G HA3 -0.318 3.642 3.960 0.000 0.000 0.267 5835 G C 0.623 175.588 174.900 0.110 0.000 0.975 5835 G CA 0.898 46.064 45.100 0.110 0.000 0.644 5835 G HN 0.891 nan 8.290 nan 0.000 0.537 5836 T N -1.359 113.285 114.554 0.150 0.000 2.860 5836 T HA 0.548 4.898 4.350 0.000 0.000 0.299 5836 T C 0.658 175.411 174.700 0.087 0.000 1.045 5836 T CA -0.285 61.883 62.100 0.112 0.000 1.071 5836 T CB 1.885 70.822 68.868 0.116 0.000 0.985 5836 T HN 0.958 nan 8.240 nan 0.000 0.537 5837 L N 2.208 123.460 121.223 0.049 0.000 2.513 5837 L HA 0.155 4.495 4.340 0.000 0.000 0.272 5837 L C 1.223 178.062 176.870 -0.052 0.000 1.187 5837 L CA 0.644 55.508 54.840 0.040 0.000 0.895 5837 L CB 0.198 42.297 42.059 0.066 0.000 1.147 5837 L HN 0.709 nan 8.230 nan 0.000 0.483 5838 Q N 3.478 123.236 119.800 -0.071 0.000 2.391 5838 Q HA 0.387 4.727 4.340 0.000 0.000 0.243 5838 Q C 0.279 176.005 176.000 -0.456 0.000 0.874 5838 Q CA 0.637 56.227 55.803 -0.356 0.000 0.950 5838 Q CB 1.347 29.934 28.738 -0.251 0.000 1.103 5838 Q HN 0.814 nan 8.270 nan 0.000 0.544 5839 G N 1.245 110.094 108.800 0.081 0.000 2.742 5839 G HA2 0.605 4.566 3.960 0.000 0.000 0.296 5839 G HA3 0.605 4.566 3.960 0.000 0.000 0.296 5839 G C -1.068 174.062 174.900 0.384 0.000 1.436 5839 G CA -0.523 44.783 45.100 0.344 0.000 0.928 5839 G HN 0.078 nan 8.290 nan 0.000 0.520 5840 I N -1.184 119.619 120.570 0.388 0.000 2.865 5840 I HA 0.749 4.919 4.170 0.000 0.000 0.302 5840 I C -1.870 174.438 176.117 0.318 0.000 1.140 5840 I CA -1.108 60.356 61.300 0.273 0.000 1.021 5840 I CB 2.904 40.988 38.000 0.139 0.000 1.233 5840 I HN 0.543 nan 8.210 nan 0.000 0.427 5841 H N 3.749 122.927 119.070 0.181 0.000 2.856 5841 H HA 0.496 5.052 4.556 0.000 0.000 0.355 5841 H C -1.152 174.247 175.328 0.120 0.000 1.079 5841 H CA -0.722 55.444 56.048 0.196 0.000 1.240 5841 H CB 2.316 32.169 29.762 0.152 0.000 1.701 5841 H HN 0.557 nan 8.280 nan 0.000 0.527 5842 R N 2.332 123.137 120.500 0.508 0.000 2.347 5842 R HA 0.072 4.412 4.340 0.000 0.000 0.304 5842 R C 1.024 177.432 176.300 0.179 0.000 1.072 5842 R CA 0.338 56.594 56.100 0.259 0.000 0.980 5842 R CB 0.422 30.843 30.300 0.201 0.000 0.986 5842 R HN 0.814 nan 8.270 nan 0.000 0.448 5843 T N -1.646 112.947 114.554 0.065 0.000 2.962 5843 T HA -0.124 4.226 4.350 0.000 0.000 0.270 5843 T C 0.927 175.628 174.700 0.002 0.000 1.088 5843 T CA 1.245 63.338 62.100 -0.011 0.000 1.127 5843 T CB 0.056 68.919 68.868 -0.008 0.000 0.883 5843 T HN 0.583 nan 8.240 nan 0.000 0.493 5844 D N -0.049 120.374 120.400 0.038 0.000 2.423 5844 D HA 0.116 4.756 4.640 0.000 0.000 0.212 5844 D C 0.765 177.103 176.300 0.063 0.000 1.060 5844 D CA 0.092 54.115 54.000 0.038 0.000 0.872 5844 D CB 0.307 41.127 40.800 0.034 0.000 1.012 5844 D HN 0.231 nan 8.370 nan 0.000 0.503 5845 K N 0.687 121.148 120.400 0.101 0.000 2.352 5845 K HA 0.369 4.689 4.320 0.000 0.000 0.240 5845 K C -2.602 174.114 176.600 0.192 0.000 1.017 5845 K CA -1.854 54.505 56.287 0.121 0.000 0.851 5845 K CB 2.215 34.777 32.500 0.103 0.000 1.261 5845 K HN -0.169 nan 8.250 nan 0.000 0.451 5846 P HA 0.203 nan 4.420 nan 0.000 0.220 5846 P C -1.272 176.156 177.300 0.213 0.000 1.806 5846 P CA -0.113 63.098 63.100 0.185 0.000 0.976 5846 P CB -0.088 31.658 31.700 0.077 0.000 1.952 5847 A N 2.507 125.486 122.820 0.264 0.000 2.381 5847 A HA 0.757 5.077 4.320 0.000 0.000 0.299 5847 A C -0.896 176.818 177.584 0.218 0.000 1.049 5847 A CA -0.505 51.676 52.037 0.239 0.000 0.715 5847 A CB 1.288 20.383 19.000 0.157 0.000 1.222 5847 A HN 0.296 nan 8.150 nan 0.000 0.428 5848 F N 0.534 120.438 119.950 -0.076 0.000 2.692 5848 F HA 0.918 5.445 4.527 0.000 0.000 0.320 5848 F C -0.368 175.524 175.800 0.154 0.000 1.123 5848 F CA -0.898 57.052 58.000 -0.082 0.000 0.961 5848 F CB 1.234 40.001 39.000 -0.390 0.000 1.383 5848 F HN 1.132 nan 8.300 nan 0.000 0.483 5849 S N 0.475 116.196 115.700 0.035 0.000 2.597 5849 S HA 0.702 5.172 4.470 0.000 0.000 0.274 5849 S C -2.208 172.528 174.600 0.227 0.000 1.132 5849 S CA -0.712 57.457 58.200 -0.051 0.000 0.835 5849 S CB 1.606 64.772 63.200 -0.057 0.000 1.092 5849 S HN 1.234 nan 8.310 nan 0.000 0.457 5850 F N 1.493 121.297 119.950 -0.244 0.000 2.565 5850 F HA 0.657 5.184 4.527 0.000 0.000 0.313 5850 F C 0.999 176.355 175.800 -0.740 0.000 1.091 5850 F CA -0.802 56.936 58.000 -0.436 0.000 0.915 5850 F CB 2.495 41.309 39.000 -0.310 0.000 1.208 5850 F HN 0.809 nan 8.300 nan 0.000 0.453 5851 Q N 3.406 122.211 119.800 -1.658 0.000 2.123 5851 Q HA 0.209 4.549 4.340 0.000 0.000 0.199 5851 Q C 1.114 176.525 176.000 -0.982 0.000 0.966 5851 Q CA 1.402 56.396 55.803 -1.349 0.000 0.845 5851 Q CB -0.505 27.438 28.738 -1.325 0.000 0.907 5851 Q HN 0.866 nan 8.270 nan 0.000 0.439 5852 G N -0.022 108.045 108.800 -1.221 0.000 2.583 5852 G HA2 0.113 4.073 3.960 0.000 0.000 0.275 5852 G HA3 0.113 4.073 3.960 0.000 0.000 0.275 5852 G C -0.793 174.085 174.900 -0.037 0.000 1.342 5852 G CA -0.425 44.393 45.100 -0.471 0.000 1.030 5852 G HN 0.397 nan 8.290 nan 0.000 0.520 5853 N N 0.479 119.253 118.700 0.125 0.000 2.626 5853 N HA 0.366 5.106 4.740 0.000 0.000 0.249 5853 N C -2.046 173.570 175.510 0.178 0.000 1.021 5853 N CA -1.262 51.865 53.050 0.127 0.000 0.886 5853 N CB 2.578 41.117 38.487 0.087 0.000 1.149 5853 N HN 0.101 nan 8.380 nan 0.000 0.517 5854 P HA -0.155 nan 4.420 nan 0.000 0.223 5854 P C 1.056 178.545 177.300 0.315 0.000 1.151 5854 P CA 0.908 64.087 63.100 0.131 0.000 0.787 5854 P CB 0.332 31.972 31.700 -0.099 0.000 0.788 5855 E N 0.252 120.674 120.200 0.370 0.000 2.427 5855 E HA -0.016 4.334 4.350 0.000 0.000 0.196 5855 E C 1.075 177.745 176.600 0.118 0.000 1.028 5855 E CA 0.884 57.446 56.400 0.270 0.000 0.864 5855 E CB -0.774 29.068 29.700 0.237 0.000 0.813 5855 E HN 0.057 nan 8.360 nan 0.000 0.514 5856 A N 1.149 124.053 122.820 0.139 0.000 5.395 5856 A HA -0.364 3.956 4.320 0.000 0.000 0.324 5856 A C 0.918 178.560 177.584 0.096 0.000 1.813 5856 A CA 2.622 54.736 52.037 0.128 0.000 0.714 5856 A CB -1.995 17.107 19.000 0.170 0.000 1.374 5856 A HN 1.057 nan 8.150 nan 0.000 0.390 5857 S N -0.540 115.210 115.700 0.083 0.000 3.527 5857 S HA -0.053 4.417 4.470 0.000 0.000 0.409 5857 S C -1.705 172.923 174.600 0.046 0.000 0.900 5857 S CA 1.031 59.253 58.200 0.037 0.000 1.320 5857 S CB -0.973 62.236 63.200 0.014 0.000 0.915 5857 S HN 1.148 nan 8.310 nan 0.000 0.575 5858 P HA 0.796 nan 4.420 nan 0.000 0.283 5858 P C 0.511 177.867 177.300 0.092 0.000 1.278 5858 P CA 0.591 63.720 63.100 0.048 0.000 0.834 5858 P CB 1.265 32.982 31.700 0.029 0.000 1.150 5859 G N -0.537 108.320 108.800 0.095 0.000 2.357 5859 G HA2 0.134 4.094 3.960 0.000 0.000 0.643 5859 G HA3 0.134 4.094 3.960 0.000 0.000 0.643 5859 G C -3.272 171.721 174.900 0.155 0.000 1.358 5859 G CA -0.913 44.257 45.100 0.117 0.000 0.986 5859 G HN 0.501 nan 8.290 nan 0.000 0.620 5860 P HA 0.231 nan 4.420 nan 0.000 0.268 5860 P C 0.193 177.650 177.300 0.261 0.000 1.208 5860 P CA 0.043 63.209 63.100 0.109 0.000 0.777 5860 P CB 0.239 31.986 31.700 0.078 0.000 0.875 5861 H N -0.511 118.594 119.070 0.059 0.000 2.551 5861 H HA 0.012 4.568 4.556 0.000 0.000 0.271 5861 H C 0.599 175.963 175.328 0.060 0.000 0.984 5861 H CA -0.166 55.922 56.048 0.067 0.000 1.164 5861 H CB 0.224 30.024 29.762 0.064 0.000 1.437 5861 H HN 0.411 nan 8.280 nan 0.000 0.550 5862 D N 1.565 122.067 120.400 0.170 0.000 2.172 5862 D HA -0.159 4.481 4.640 0.000 0.000 0.196 5862 D C 1.940 178.270 176.300 0.051 0.000 0.999 5862 D CA 1.265 55.322 54.000 0.096 0.000 0.856 5862 D CB -0.019 40.823 40.800 0.070 0.000 0.934 5862 D HN 0.404 nan 8.370 nan 0.000 0.453 5863 A N -0.163 122.673 122.820 0.026 0.000 2.307 5863 A HA 0.457 4.777 4.320 0.000 0.000 0.218 5863 A C 1.987 179.551 177.584 -0.033 0.000 1.228 5863 A CA 0.740 52.716 52.037 -0.102 0.000 0.857 5863 A CB -0.169 18.677 19.000 -0.256 0.000 0.897 5863 A HN 0.152 nan 8.150 nan 0.000 0.495 5864 A N 1.233 124.109 122.820 0.093 0.000 2.070 5864 A HA 0.007 4.327 4.320 0.000 0.000 0.220 5864 A C -0.214 177.504 177.584 0.224 0.000 1.159 5864 A CA 1.477 53.649 52.037 0.225 0.000 0.656 5864 A CB -1.100 17.981 19.000 0.135 0.000 0.800 5864 A HN 0.435 nan 8.150 nan 0.000 0.453 5865 P HA -0.047 nan 4.420 nan 0.000 0.230 5865 P C 1.026 178.371 177.300 0.076 0.000 1.158 5865 P CA 0.377 63.533 63.100 0.094 0.000 0.769 5865 P CB -0.051 31.683 31.700 0.057 0.000 0.807 5866 L N -2.359 118.860 121.223 -0.007 0.000 2.265 5866 L HA -0.099 4.241 4.340 0.000 0.000 0.215 5866 L C 1.991 178.832 176.870 -0.048 0.000 1.117 5866 L CA 1.586 56.403 54.840 -0.038 0.000 0.782 5866 L CB -1.336 40.601 42.059 -0.203 0.000 0.914 5866 L HN -0.076 nan 8.230 nan 0.000 0.441 5867 F N -0.137 119.832 119.950 0.031 0.000 2.186 5867 F HA -0.185 4.342 4.527 0.000 0.000 0.299 5867 F C 2.247 178.084 175.800 0.062 0.000 1.090 5867 F CA 1.153 59.179 58.000 0.044 0.000 1.307 5867 F CB -0.441 38.612 39.000 0.089 0.000 1.019 5867 F HN 0.168 nan 8.300 nan 0.000 0.489 5868 D N -1.088 119.443 120.400 0.220 0.000 2.104 5868 D HA -0.248 4.392 4.640 0.000 0.000 0.194 5868 D C 2.038 178.374 176.300 0.060 0.000 0.994 5868 D CA 1.723 55.798 54.000 0.126 0.000 0.830 5868 D CB -0.856 40.003 40.800 0.098 0.000 0.959 5868 D HN 0.296 nan 8.370 nan 0.000 0.452 5869 H N -0.273 118.751 119.070 -0.077 0.000 2.431 5869 H HA -0.184 4.372 4.556 0.000 0.000 0.297 5869 H C 1.801 176.982 175.328 -0.247 0.000 1.115 5869 H CA 1.348 57.247 56.048 -0.248 0.000 1.277 5869 H CB -0.446 28.986 29.762 -0.549 0.000 1.372 5869 H HN 0.079 nan 8.280 nan 0.000 0.516 5870 F N 0.570 120.363 119.950 -0.261 0.000 2.084 5870 F HA -0.120 4.407 4.527 0.000 0.000 0.296 5870 F C 2.107 177.775 175.800 -0.221 0.000 1.111 5870 F CA 1.014 58.907 58.000 -0.177 0.000 1.224 5870 F CB -0.608 38.313 39.000 -0.133 0.000 0.991 5870 F HN 0.135 nan 8.300 nan 0.000 0.471 5871 I N 0.902 121.329 120.570 -0.239 0.000 2.194 5871 I HA -0.296 3.874 4.170 0.000 0.000 0.246 5871 I C 2.178 178.050 176.117 -0.407 0.000 1.093 5871 I CA 1.649 62.716 61.300 -0.389 0.000 1.355 5871 I CB -1.644 36.257 38.000 -0.166 0.000 1.046 5871 I HN 0.277 nan 8.210 nan 0.000 0.413 5872 E N 1.030 121.059 120.200 -0.285 0.000 2.051 5872 E HA -0.184 4.166 4.350 0.000 0.000 0.192 5872 E C 2.404 178.836 176.600 -0.279 0.000 0.991 5872 E CA 1.014 57.269 56.400 -0.242 0.000 0.799 5872 E CB -0.312 29.278 29.700 -0.184 0.000 0.748 5872 E HN 0.415 nan 8.360 nan 0.000 0.449 5873 L N 0.757 121.764 121.223 -0.361 0.000 2.012 5873 L HA -0.214 4.126 4.340 0.000 0.000 0.210 5873 L C 2.522 179.261 176.870 -0.218 0.000 1.073 5873 L CA 1.196 55.871 54.840 -0.275 0.000 0.748 5873 L CB -0.569 41.330 42.059 -0.267 0.000 0.891 5873 L HN 0.200 nan 8.230 nan 0.000 0.431 5874 I N -0.564 119.777 120.570 -0.382 0.000 2.315 5874 I HA -0.241 3.929 4.170 0.000 0.000 0.248 5874 I C 2.428 178.377 176.117 -0.281 0.000 1.117 5874 I CA 1.213 62.294 61.300 -0.365 0.000 1.404 5874 I CB -0.368 37.221 38.000 -0.685 0.000 1.071 5874 I HN 0.305 nan 8.210 nan 0.000 0.419 5875 E N 0.727 120.691 120.200 -0.393 0.000 2.051 5875 E HA -0.288 4.062 4.350 0.000 0.000 0.192 5875 E C 2.215 178.758 176.600 -0.095 0.000 0.991 5875 E CA 1.287 57.545 56.400 -0.238 0.000 0.799 5875 E CB -0.149 29.434 29.700 -0.196 0.000 0.748 5875 E HN 0.522 nan 8.360 nan 0.000 0.449 5876 Q N 0.272 120.020 119.800 -0.087 0.000 2.224 5876 Q HA -0.217 4.123 4.340 0.000 0.000 0.203 5876 Q C 1.879 177.889 176.000 0.015 0.000 0.970 5876 Q CA 1.170 56.952 55.803 -0.035 0.000 0.865 5876 Q CB -0.194 28.521 28.738 -0.039 0.000 0.922 5876 Q HN 0.409 nan 8.270 nan 0.000 0.445 5877 Y N 0.693 120.936 120.300 -0.094 0.000 2.395 5877 Y HA 0.072 4.623 4.550 0.000 0.000 0.293 5877 Y C 1.889 177.765 175.900 -0.040 0.000 1.123 5877 Y CA 0.954 59.019 58.100 -0.059 0.000 1.227 5877 Y CB 0.150 38.573 38.460 -0.063 0.000 1.012 5877 Y HN -0.006 nan 8.280 nan 0.000 0.552 5878 R N 0.099 120.547 120.500 -0.086 0.000 2.119 5878 R HA -0.046 4.294 4.340 0.000 0.000 0.222 5878 R C 2.226 178.468 176.300 -0.098 0.000 1.088 5878 R CA 0.839 56.872 56.100 -0.113 0.000 0.984 5878 R CB -0.056 30.245 30.300 0.002 0.000 0.884 5878 R HN 0.232 nan 8.270 nan 0.000 0.447 5879 K N -0.009 120.351 120.400 -0.066 0.000 2.103 5879 K HA -0.072 4.249 4.320 0.000 0.000 0.207 5879 K C 0.508 177.065 176.600 -0.071 0.000 1.048 5879 K CA 1.235 57.493 56.287 -0.048 0.000 0.930 5879 K CB 0.061 32.541 32.500 -0.033 0.000 0.716 5879 K HN 0.149 nan 8.250 nan 0.000 0.444 5880 T N 0.000 114.486 114.554 -0.113 0.000 3.816 5880 T HA 0.000 4.350 4.350 0.000 0.000 0.228 5880 T CA 0.000 62.014 62.100 -0.143 0.000 1.349 5880 T CB 0.000 68.795 68.868 -0.122 0.000 0.612 5880 T HN 0.000 nan 8.240 nan 0.000 0.658