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 3cf2_1_D DATA FIRST_RESID 21 DATA SEQUENCE NRPNRLIVDE AINEDNSVVS LSQPKMDELQ LFRGDTVLLK GKKRREAVCI DATA SEQUENCE VLSDDTCSDE KIRMNRVVRN NLRVRLGDVI SIQPCPDVKY GKRIHVLPID DATA SEQUENCE DTVEGITGNL FEVYLKPYFL EAYRPIRKGD IFLVRGGMRA VEFKVVETDP DATA SEQUENCE SPYCIVAPDT VIHCEGEPIK REDEEESLNE VGYDDIGGCR KQLAQIKEMV DATA SEQUENCE ELPLRHPALF KAIGVKPPRG ILLYGPPGTG KTLIARAVAN ETGAFFFLIN DATA SEQUENCE GPEIMSKLAG ESESNLRKAF EEAEKNAPAI IFIDELDAIA PKREKTHGEV DATA SEQUENCE ERRIVSQLLT LMDGLKQRAH VIVMAATNRP NSIDPALRRF GRFDREVDIG DATA SEQUENCE IPDATGRLEI LQIHTKNMKL ADDVDLEQVA NETHGHVGAD LAALCSEAAL DATA SEQUENCE QAIRKKMDLI DLEDETIDAE VMNSLAVTMD DFRWALSQSN PSALRETVVE DATA SEQUENCE VPQVTWEDIG GLEDVKRELQ ELVQYPVEHP DKFLKFGMTP SKGVLFYGPP DATA SEQUENCE GCGKTLLAKA IANECQANFI SIKGPELLTM WFGESEANVR EIFDKARQAA DATA SEQUENCE PCVLFFDELD SIXXXXXXXX XXXXXXADRV INQILTEMDG MSTKKNVFII DATA SEQUENCE GAXNRPDIID PAILRPGRLD QLIYIXXXXX KSRVAILKAN LRKSXXAKDX DATA SEQUENCE XXXXXXXXXX XXXXXDLTEI CQRACKLAIR ESIEXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXVPE XXXXHFEEAM XXXXXXXXXX XXXXXEMFA 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 21 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.512 175.510 0.003 0.000 1.280 21 N CA 0.000 53.051 53.050 0.002 0.000 0.885 21 N CB 0.000 38.488 38.487 0.002 0.000 1.341 22 R N 0.641 121.142 120.500 0.003 0.000 2.779 22 R HA -0.073 4.267 4.340 -0.000 0.000 0.301 22 R C -1.985 174.317 176.300 0.003 0.000 0.963 22 R CA 0.055 56.158 56.100 0.004 0.000 0.683 22 R CB -1.258 29.045 30.300 0.006 0.000 1.794 22 R HN 0.547 nan 8.270 nan 0.000 0.458 23 P HA -0.202 nan 4.420 nan 0.000 0.215 23 P C 0.967 178.266 177.300 -0.003 0.000 1.157 23 P CA 1.385 64.484 63.100 -0.003 0.000 0.863 23 P CB -0.107 31.589 31.700 -0.006 0.000 0.787 24 N N 1.368 120.067 118.700 -0.002 0.000 2.651 24 N HA -0.154 4.585 4.740 -0.000 0.000 0.193 24 N C 0.695 176.207 175.510 0.003 0.000 1.149 24 N CA 0.448 53.497 53.050 -0.001 0.000 0.933 24 N CB -0.698 37.790 38.487 0.001 0.000 0.974 24 N HN 0.413 nan 8.380 nan 0.000 0.448 25 R N 0.015 120.519 120.500 0.006 0.000 2.445 25 R HA 0.671 5.011 4.340 -0.000 0.000 0.308 25 R C -1.046 175.260 176.300 0.011 0.000 0.961 25 R CA -0.792 55.315 56.100 0.010 0.000 0.862 25 R CB 1.362 31.670 30.300 0.013 0.000 1.144 25 R HN -0.029 nan 8.270 nan 0.000 0.447 26 L N 3.718 124.949 121.223 0.014 0.000 2.424 26 L HA 0.497 4.837 4.340 -0.000 0.000 0.258 26 L C -0.201 176.682 176.870 0.022 0.000 0.995 26 L CA -1.386 53.463 54.840 0.016 0.000 0.821 26 L CB 2.493 44.558 42.059 0.011 0.000 1.383 26 L HN 0.621 nan 8.230 nan 0.000 0.410 27 I N 2.897 123.482 120.570 0.026 0.000 2.505 27 I HA 0.040 4.210 4.170 -0.000 0.000 0.287 27 I C 0.522 176.660 176.117 0.036 0.000 1.104 27 I CA -0.436 60.885 61.300 0.035 0.000 1.387 27 I CB 0.998 39.021 38.000 0.038 0.000 1.404 27 I HN 0.317 nan 8.210 nan 0.000 0.528 28 V N 2.881 122.818 119.914 0.039 0.000 2.694 28 V HA 0.185 4.305 4.120 -0.000 0.000 0.306 28 V C -0.271 175.851 176.094 0.047 0.000 1.054 28 V CA 0.064 62.387 62.300 0.039 0.000 1.161 28 V CB 1.058 32.905 31.823 0.039 0.000 0.916 28 V HN 0.735 nan 8.190 nan 0.000 0.490 29 D N 1.801 122.228 120.400 0.044 0.000 2.559 29 D HA 0.380 5.020 4.640 -0.000 0.000 0.250 29 D C -0.230 176.101 176.300 0.053 0.000 1.135 29 D CA -0.627 53.403 54.000 0.050 0.000 0.955 29 D CB 1.941 42.763 40.800 0.036 0.000 1.442 29 D HN 0.808 nan 8.370 nan 0.000 0.471 30 E N -0.171 120.066 120.200 0.061 0.000 2.425 30 E HA 0.418 4.768 4.350 -0.000 0.000 0.258 30 E C -0.656 175.968 176.600 0.039 0.000 1.151 30 E CA -0.241 56.197 56.400 0.063 0.000 0.958 30 E CB 0.599 30.338 29.700 0.064 0.000 0.968 30 E HN 0.371 nan 8.360 nan 0.000 0.451 31 A N 1.136 123.977 122.820 0.036 0.000 2.325 31 A HA 0.380 4.700 4.320 -0.000 0.000 0.333 31 A C 0.758 178.352 177.584 0.017 0.000 1.155 31 A CA -0.604 51.447 52.037 0.024 0.000 0.814 31 A CB 0.328 19.343 19.000 0.024 0.000 1.206 31 A HN 0.696 nan 8.150 nan 0.000 0.482 32 I N -0.638 119.938 120.570 0.010 0.000 2.731 32 I HA 0.150 4.320 4.170 -0.000 0.000 0.260 32 I C 0.681 176.799 176.117 0.002 0.000 1.138 32 I CA 0.213 61.516 61.300 0.004 0.000 1.461 32 I CB -0.073 37.928 38.000 0.001 0.000 1.128 32 I HN 0.511 nan 8.210 nan 0.000 0.438 33 N N 2.825 121.527 118.700 0.002 0.000 2.420 33 N HA 0.059 4.799 4.740 -0.000 0.000 0.249 33 N C 0.183 175.693 175.510 -0.000 0.000 1.033 33 N CA 0.094 53.142 53.050 -0.003 0.000 0.944 33 N CB 0.957 39.440 38.487 -0.007 0.000 1.113 33 N HN 0.328 nan 8.380 nan 0.000 0.502 34 E N 0.925 121.124 120.200 -0.001 0.000 2.515 34 E HA -0.084 4.266 4.350 -0.000 0.000 0.201 34 E C -0.371 176.230 176.600 0.001 0.000 1.071 34 E CA 0.279 56.681 56.400 0.005 0.000 0.880 34 E CB 0.215 29.919 29.700 0.005 0.000 0.828 34 E HN 0.507 nan 8.360 nan 0.000 0.540 35 D N 0.772 121.163 120.400 -0.014 0.000 2.358 35 D HA -0.011 4.629 4.640 -0.000 0.000 0.258 35 D C 0.592 176.885 176.300 -0.012 0.000 1.223 35 D CA -0.049 53.931 54.000 -0.033 0.000 0.886 35 D CB 0.682 41.446 40.800 -0.060 0.000 1.120 35 D HN -0.054 nan 8.370 nan 0.000 0.482 36 N N 1.428 120.132 118.700 0.007 0.000 2.073 36 N HA -0.212 4.528 4.740 -0.000 0.000 0.199 36 N C 1.166 176.705 175.510 0.048 0.000 1.023 36 N CA 1.411 54.495 53.050 0.057 0.000 0.880 36 N CB -0.202 38.363 38.487 0.130 0.000 1.052 36 N HN 0.231 nan 8.380 nan 0.000 0.449 37 S N -0.341 115.365 115.700 0.011 0.000 2.851 37 S HA 0.175 4.645 4.470 -0.000 0.000 0.227 37 S C 0.162 174.768 174.600 0.010 0.000 0.958 37 S CA -0.177 58.035 58.200 0.020 0.000 0.990 37 S CB -0.254 62.946 63.200 -0.000 0.000 0.790 37 S HN 0.184 nan 8.310 nan 0.000 0.509 38 V N 1.423 121.343 119.914 0.009 0.000 2.841 38 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 38 V C -1.177 174.924 176.094 0.012 0.000 1.090 38 V CA -0.779 61.525 62.300 0.006 0.000 0.930 38 V CB 2.213 34.033 31.823 -0.004 0.000 1.014 38 V HN 0.097 nan 8.190 nan 0.000 0.425 39 V N 3.231 123.151 119.914 0.010 0.000 2.638 39 V HA 0.881 5.001 4.120 -0.000 0.000 0.306 39 V C -0.434 175.664 176.094 0.008 0.000 1.052 39 V CA -0.190 62.117 62.300 0.011 0.000 0.885 39 V CB 1.820 33.650 31.823 0.012 0.000 0.999 39 V HN 0.851 nan 8.190 nan 0.000 0.424 40 S N 5.493 121.197 115.700 0.008 0.000 2.482 40 S HA 0.848 5.318 4.470 -0.000 0.000 0.303 40 S C -0.387 174.215 174.600 0.004 0.000 1.091 40 S CA -0.632 57.571 58.200 0.005 0.000 1.057 40 S CB 1.522 64.725 63.200 0.005 0.000 1.031 40 S HN 0.781 nan 8.310 nan 0.000 0.485 41 L N 1.320 122.543 121.223 -0.000 0.000 2.341 41 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 41 L C 0.296 177.164 176.870 -0.005 0.000 1.022 41 L CA -0.980 53.858 54.840 -0.003 0.000 0.844 41 L CB 1.253 43.306 42.059 -0.010 0.000 1.436 41 L HN 0.689 nan 8.230 nan 0.000 0.483 42 S N -1.104 114.591 115.700 -0.007 0.000 2.541 42 S HA 0.175 4.645 4.470 -0.000 0.000 0.283 42 S C 0.360 174.952 174.600 -0.014 0.000 1.196 42 S CA -0.606 57.589 58.200 -0.008 0.000 1.062 42 S CB 1.881 65.077 63.200 -0.006 0.000 1.009 42 S HN 0.581 nan 8.310 nan 0.000 0.502 43 Q N 2.754 122.546 119.800 -0.014 0.000 2.096 43 Q HA -0.089 4.251 4.340 -0.000 0.000 0.208 43 Q C -0.713 175.269 176.000 -0.030 0.000 0.993 43 Q CA 2.621 58.412 55.803 -0.021 0.000 0.862 43 Q CB -1.529 27.201 28.738 -0.013 0.000 0.915 43 Q HN 0.708 nan 8.270 nan 0.000 0.416 44 P HA -0.198 nan 4.420 nan 0.000 0.216 44 P C 0.767 178.049 177.300 -0.031 0.000 1.150 44 P CA 1.721 64.806 63.100 -0.025 0.000 0.837 44 P CB -0.001 31.689 31.700 -0.016 0.000 0.786 45 K N 0.521 120.905 120.400 -0.028 0.000 1.985 45 K HA -0.047 4.273 4.320 -0.000 0.000 0.210 45 K C 2.424 178.996 176.600 -0.047 0.000 1.047 45 K CA 1.650 57.919 56.287 -0.030 0.000 0.932 45 K CB -1.258 31.229 32.500 -0.021 0.000 0.716 45 K HN -0.020 nan 8.250 nan 0.000 0.439 46 M N 0.921 120.488 119.600 -0.055 0.000 2.255 46 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 46 M C 1.099 177.320 176.300 -0.132 0.000 1.071 46 M CA 1.698 56.947 55.300 -0.086 0.000 1.074 46 M CB -0.411 32.140 32.600 -0.081 0.000 1.384 46 M HN 0.203 nan 8.290 nan 0.000 0.415 47 D N -0.311 120.022 120.400 -0.112 0.000 2.213 47 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 47 D C 1.710 177.950 176.300 -0.099 0.000 0.961 47 D CA 0.889 54.811 54.000 -0.130 0.000 0.853 47 D CB -0.235 40.512 40.800 -0.089 0.000 0.967 47 D HN 0.504 nan 8.370 nan 0.000 0.496 48 E N 0.036 120.195 120.200 -0.069 0.000 2.338 48 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 48 E C 0.572 177.141 176.600 -0.053 0.000 1.007 48 E CA 0.430 56.800 56.400 -0.050 0.000 0.849 48 E CB 0.272 29.952 29.700 -0.034 0.000 0.774 48 E HN 0.035 nan 8.360 nan 0.000 0.506 49 L N 0.776 121.957 121.223 -0.071 0.000 3.066 49 L HA 0.164 4.504 4.340 -0.000 0.000 0.265 49 L C -0.378 176.436 176.870 -0.094 0.000 1.232 49 L CA 0.040 54.841 54.840 -0.065 0.000 1.031 49 L CB 0.255 42.282 42.059 -0.052 0.000 1.379 49 L HN -0.067 nan 8.230 nan 0.000 0.563 50 Q N 0.348 120.067 119.800 -0.136 0.000 2.406 50 Q HA -0.184 4.156 4.340 -0.000 0.000 0.339 50 Q C -0.850 175.000 176.000 -0.251 0.000 1.337 50 Q CA 1.103 56.786 55.803 -0.198 0.000 0.985 50 Q CB -1.493 27.192 28.738 -0.089 0.000 1.216 50 Q HN 0.397 nan 8.270 nan 0.000 0.415 51 L N -0.172 120.856 121.223 -0.325 0.000 2.365 51 L HA 0.626 4.966 4.340 -0.000 0.000 0.273 51 L C 0.261 176.899 176.870 -0.387 0.000 1.000 51 L CA -0.849 53.846 54.840 -0.241 0.000 0.819 51 L CB 1.094 43.088 42.059 -0.110 0.000 1.284 51 L HN 0.037 nan 8.230 nan 0.000 0.418 52 F N 0.731 120.683 119.950 0.002 0.000 2.690 52 F HA 0.520 5.047 4.527 -0.000 0.000 0.332 52 F C 1.552 177.354 175.800 0.003 0.000 1.215 52 F CA -0.576 57.426 58.000 0.004 0.000 1.086 52 F CB 0.228 39.231 39.000 0.006 0.000 1.828 52 F HN 0.319 nan 8.300 nan 0.000 0.519 53 R N 0.269 120.929 120.500 0.266 0.000 2.036 53 R HA 0.068 4.408 4.340 -0.000 0.000 0.216 53 R C 1.969 178.327 176.300 0.096 0.000 1.241 53 R CA 1.087 57.265 56.100 0.131 0.000 0.964 53 R CB -1.426 28.935 30.300 0.101 0.000 0.828 53 R HN 0.782 nan 8.270 nan 0.000 0.468 54 G N 2.190 111.039 108.800 0.082 0.000 2.615 54 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.213 54 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.213 54 G C 0.212 175.149 174.900 0.062 0.000 1.135 54 G CA 0.043 45.180 45.100 0.062 0.000 0.772 54 G HN 0.269 nan 8.290 nan 0.000 0.542 55 D N 1.506 121.959 120.400 0.089 0.000 2.531 55 D HA 0.087 4.727 4.640 -0.000 0.000 0.239 55 D C 0.802 177.123 176.300 0.034 0.000 1.144 55 D CA 0.319 54.367 54.000 0.081 0.000 0.869 55 D CB 0.651 41.518 40.800 0.111 0.000 1.160 55 D HN 0.177 nan 8.370 nan 0.000 0.484 56 T N 0.833 115.393 114.554 0.011 0.000 2.806 56 T HA 0.548 4.898 4.350 -0.000 0.000 0.290 56 T C 0.382 175.056 174.700 -0.043 0.000 0.966 56 T CA -0.953 61.131 62.100 -0.027 0.000 1.060 56 T CB 1.105 69.941 68.868 -0.054 0.000 0.927 56 T HN 0.193 nan 8.240 nan 0.000 0.485 57 V N 1.513 121.394 119.914 -0.056 0.000 2.919 57 V HA 0.817 4.937 4.120 -0.000 0.000 0.316 57 V C -0.340 175.691 176.094 -0.104 0.000 1.077 57 V CA -1.397 60.867 62.300 -0.060 0.000 0.977 57 V CB 1.413 33.217 31.823 -0.031 0.000 1.039 57 V HN 0.898 nan 8.190 nan 0.000 0.441 58 L N 2.765 123.931 121.223 -0.095 0.000 2.331 58 L HA 0.761 5.101 4.340 -0.000 0.000 0.275 58 L C -0.913 175.934 176.870 -0.039 0.000 1.022 58 L CA -0.320 54.455 54.840 -0.109 0.000 0.812 58 L CB 1.341 43.348 42.059 -0.086 0.000 1.257 58 L HN 0.720 nan 8.230 nan 0.000 0.435 59 L N 4.918 126.132 121.223 -0.016 0.000 2.446 59 L HA 0.461 4.801 4.340 -0.000 0.000 0.268 59 L C -0.678 176.210 176.870 0.030 0.000 0.975 59 L CA -0.579 54.267 54.840 0.010 0.000 0.848 59 L CB 1.631 43.697 42.059 0.012 0.000 1.225 59 L HN 0.573 nan 8.230 nan 0.000 0.410 60 K N 2.568 122.987 120.400 0.031 0.000 2.266 60 K HA 0.446 4.766 4.320 -0.000 0.000 0.274 60 K C 0.391 177.010 176.600 0.033 0.000 1.090 60 K CA -0.274 56.036 56.287 0.038 0.000 0.925 60 K CB 1.883 34.406 32.500 0.038 0.000 1.225 60 K HN 0.725 nan 8.250 nan 0.000 0.458 61 G N 2.441 111.262 108.800 0.035 0.000 2.714 61 G HA2 0.199 4.159 3.960 -0.000 0.000 0.197 61 G HA3 0.199 4.159 3.960 -0.000 0.000 0.197 61 G C -0.194 174.723 174.900 0.030 0.000 1.449 61 G CA -0.417 44.702 45.100 0.031 0.000 1.065 61 G HN 0.377 nan 8.290 nan 0.000 0.575 62 K N -0.464 119.952 120.400 0.028 0.000 2.273 62 K HA 0.228 4.548 4.320 -0.000 0.000 0.240 62 K C 0.363 176.978 176.600 0.024 0.000 1.056 62 K CA -0.244 56.058 56.287 0.025 0.000 0.910 62 K CB 0.245 32.759 32.500 0.023 0.000 1.196 62 K HN 0.403 nan 8.250 nan 0.000 0.509 63 K N 0.581 120.993 120.400 0.021 0.000 2.914 63 K HA -0.301 4.019 4.320 -0.000 0.000 0.253 63 K C -0.228 176.384 176.600 0.020 0.000 0.986 63 K CA 1.045 57.343 56.287 0.019 0.000 0.730 63 K CB -0.846 31.664 32.500 0.017 0.000 1.228 63 K HN 0.625 nan 8.250 nan 0.000 0.483 64 R N -1.076 119.437 120.500 0.023 0.000 3.854 64 R HA -0.140 4.200 4.340 -0.000 0.000 0.352 64 R C -0.659 175.660 176.300 0.031 0.000 1.156 64 R CA 1.279 57.394 56.100 0.025 0.000 0.917 64 R CB -1.080 29.232 30.300 0.020 0.000 1.471 64 R HN 0.351 nan 8.270 nan 0.000 0.521 65 R N 0.432 120.953 120.500 0.034 0.000 2.543 65 R HA 0.417 4.757 4.340 -0.000 0.000 0.268 65 R C -0.384 175.949 176.300 0.054 0.000 1.067 65 R CA -0.411 55.715 56.100 0.043 0.000 1.142 65 R CB 0.824 31.148 30.300 0.040 0.000 1.110 65 R HN 0.221 nan 8.270 nan 0.000 0.549 66 E N -0.072 120.170 120.200 0.070 0.000 2.263 66 E HA 0.412 4.762 4.350 -0.000 0.000 0.268 66 E C -1.552 175.103 176.600 0.091 0.000 0.884 66 E CA -0.606 55.846 56.400 0.087 0.000 0.766 66 E CB 2.345 32.123 29.700 0.130 0.000 1.196 66 E HN 0.625 nan 8.360 nan 0.000 0.416 67 A N 2.960 125.819 122.820 0.065 0.000 2.409 67 A HA 0.424 4.744 4.320 -0.000 0.000 0.300 67 A C -0.771 176.824 177.584 0.019 0.000 1.273 67 A CA -0.507 51.567 52.037 0.062 0.000 0.774 67 A CB 0.775 19.811 19.000 0.060 0.000 1.144 67 A HN 0.351 nan 8.150 nan 0.000 0.472 68 V N 3.167 123.074 119.914 -0.011 0.000 2.385 68 V HA 0.410 4.530 4.120 -0.000 0.000 0.269 68 V C 0.424 176.490 176.094 -0.047 0.000 1.043 68 V CA 0.039 62.268 62.300 -0.118 0.000 0.906 68 V CB -0.015 31.588 31.823 -0.367 0.000 0.995 68 V HN 1.170 nan 8.190 nan 0.000 0.467 69 C N 4.688 123.967 119.300 -0.035 0.000 3.301 69 C HA 0.730 5.190 4.460 -0.000 0.000 0.367 69 C C -0.321 174.661 174.990 -0.014 0.000 1.980 69 C CA -1.242 57.776 59.018 0.000 0.000 1.349 69 C CB 1.189 28.945 27.740 0.026 0.000 2.412 69 C HN 0.586 nan 8.230 nan 0.000 0.451 70 I N 1.361 121.931 120.570 0.001 0.000 2.428 70 I HA 0.563 4.733 4.170 -0.000 0.000 0.296 70 I C -0.058 176.062 176.117 0.005 0.000 0.985 70 I CA -0.447 60.854 61.300 0.002 0.000 1.260 70 I CB 1.596 39.601 38.000 0.009 0.000 1.389 70 I HN 0.632 nan 8.210 nan 0.000 0.484 71 V N 7.166 127.085 119.914 0.008 0.000 2.630 71 V HA 0.617 4.737 4.120 -0.000 0.000 0.305 71 V C -0.406 175.697 176.094 0.016 0.000 1.046 71 V CA -0.234 62.070 62.300 0.008 0.000 0.934 71 V CB 1.708 33.533 31.823 0.003 0.000 1.003 71 V HN 0.622 nan 8.190 nan 0.000 0.451 72 L N 3.725 124.955 121.223 0.012 0.000 2.305 72 L HA 0.693 5.033 4.340 -0.000 0.000 0.239 72 L C -0.119 176.757 176.870 0.010 0.000 1.146 72 L CA -0.680 54.169 54.840 0.016 0.000 1.038 72 L CB 2.117 44.183 42.059 0.012 0.000 1.591 72 L HN 0.745 nan 8.230 nan 0.000 0.438 73 S N -1.671 114.036 115.700 0.011 0.000 2.739 73 S HA 0.665 5.135 4.470 -0.000 0.000 0.306 73 S C -1.258 173.344 174.600 0.004 0.000 1.115 73 S CA -0.533 57.671 58.200 0.006 0.000 0.985 73 S CB 2.357 65.562 63.200 0.009 0.000 1.133 73 S HN 0.679 nan 8.310 nan 0.000 0.541 74 D N -0.309 120.092 120.400 0.002 0.000 2.521 74 D HA 0.078 4.718 4.640 -0.000 0.000 0.195 74 D C -0.474 175.826 176.300 -0.000 0.000 1.286 74 D CA -0.283 53.718 54.000 0.001 0.000 0.854 74 D CB 1.384 42.184 40.800 0.001 0.000 1.723 74 D HN 0.604 nan 8.370 nan 0.000 0.550 75 D N 1.614 122.013 120.400 -0.000 0.000 2.218 75 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 75 D C 1.309 177.609 176.300 -0.001 0.000 0.976 75 D CA 1.109 55.109 54.000 -0.001 0.000 0.853 75 D CB -0.370 40.429 40.800 -0.001 0.000 0.939 75 D HN 0.406 nan 8.370 nan 0.000 0.481 76 T N -2.150 112.403 114.554 -0.001 0.000 3.206 76 T HA 0.236 4.586 4.350 -0.000 0.000 0.253 76 T C 0.858 175.558 174.700 0.000 0.000 1.042 76 T CA -0.732 61.367 62.100 -0.001 0.000 0.931 76 T CB -0.931 67.935 68.868 -0.003 0.000 1.029 76 T HN 0.199 nan 8.240 nan 0.000 0.564 77 C N 1.495 120.795 119.300 0.001 0.000 2.396 77 C HA 0.689 5.149 4.460 -0.000 0.000 0.359 77 C C 0.655 175.647 174.990 0.003 0.000 1.307 77 C CA -0.313 58.707 59.018 0.003 0.000 2.392 77 C CB 0.731 28.472 27.740 0.002 0.000 2.245 77 C HN 0.557 nan 8.230 nan 0.000 0.615 78 S N 1.674 117.377 115.700 0.005 0.000 2.565 78 S HA 0.246 4.716 4.470 -0.000 0.000 0.290 78 S C 0.306 174.908 174.600 0.003 0.000 1.150 78 S CA -0.423 57.780 58.200 0.005 0.000 1.058 78 S CB 1.132 64.338 63.200 0.009 0.000 1.032 78 S HN 0.795 nan 8.310 nan 0.000 0.510 79 D N 2.171 122.572 120.400 0.002 0.000 2.368 79 D HA -0.046 4.594 4.640 -0.000 0.000 0.250 79 D C 0.945 177.246 176.300 0.000 0.000 1.142 79 D CA 0.459 54.458 54.000 -0.001 0.000 0.925 79 D CB 0.105 40.904 40.800 -0.002 0.000 0.896 79 D HN 0.701 nan 8.370 nan 0.000 0.525 80 E N -0.374 119.829 120.200 0.004 0.000 2.694 80 E HA 0.037 4.387 4.350 -0.000 0.000 0.142 80 E C -0.348 176.260 176.600 0.012 0.000 0.861 80 E CA -0.245 56.159 56.400 0.007 0.000 1.387 80 E CB -0.427 29.278 29.700 0.008 0.000 0.989 80 E HN -0.011 nan 8.360 nan 0.000 0.462 81 K N 1.426 121.833 120.400 0.012 0.000 2.545 81 K HA 0.540 4.860 4.320 -0.000 0.000 0.252 81 K C -0.529 176.081 176.600 0.015 0.000 0.948 81 K CA -0.586 55.711 56.287 0.017 0.000 0.827 81 K CB 2.113 34.625 32.500 0.020 0.000 1.128 81 K HN 0.001 nan 8.250 nan 0.000 0.429 82 I N 4.115 124.695 120.570 0.017 0.000 2.294 82 I HA 0.154 4.324 4.170 -0.000 0.000 0.295 82 I C 0.419 176.547 176.117 0.020 0.000 1.098 82 I CA -0.443 60.866 61.300 0.015 0.000 1.277 82 I CB 0.240 38.249 38.000 0.014 0.000 1.434 82 I HN 0.325 nan 8.210 nan 0.000 0.498 83 R N 8.137 128.647 120.500 0.018 0.000 2.585 83 R HA 0.354 4.694 4.340 -0.000 0.000 0.275 83 R C -0.276 176.038 176.300 0.022 0.000 1.018 83 R CA 0.433 56.546 56.100 0.021 0.000 1.072 83 R CB 0.381 30.690 30.300 0.016 0.000 0.953 83 R HN 0.663 nan 8.270 nan 0.000 0.419 84 M N 0.256 119.873 119.600 0.028 0.000 2.319 84 M HA 0.215 4.695 4.480 -0.000 0.000 0.265 84 M C -1.226 175.095 176.300 0.035 0.000 1.038 84 M CA -1.272 54.046 55.300 0.030 0.000 0.946 84 M CB 1.594 34.212 32.600 0.030 0.000 1.984 84 M HN 0.461 nan 8.290 nan 0.000 0.482 85 N N 2.325 121.045 118.700 0.034 0.000 2.273 85 N HA 0.135 4.875 4.740 -0.000 0.000 0.227 85 N C 0.337 175.869 175.510 0.037 0.000 1.292 85 N CA -0.182 52.890 53.050 0.036 0.000 0.875 85 N CB 0.642 39.150 38.487 0.035 0.000 1.105 85 N HN 0.782 nan 8.380 nan 0.000 0.434 86 R N 0.128 120.647 120.500 0.031 0.000 2.117 86 R HA -0.152 4.188 4.340 -0.000 0.000 0.243 86 R C 1.487 177.804 176.300 0.029 0.000 1.143 86 R CA 1.415 57.527 56.100 0.021 0.000 0.968 86 R CB -0.720 29.581 30.300 0.003 0.000 0.863 86 R HN 0.484 nan 8.270 nan 0.000 0.444 87 V N 0.539 120.480 119.914 0.045 0.000 2.232 87 V HA -0.271 3.849 4.120 -0.000 0.000 0.241 87 V C 2.347 178.482 176.094 0.067 0.000 1.036 87 V CA 2.027 64.367 62.300 0.067 0.000 0.993 87 V CB -0.587 31.300 31.823 0.107 0.000 0.639 87 V HN 0.127 nan 8.190 nan 0.000 0.459 88 V N -0.034 119.925 119.914 0.075 0.000 2.708 88 V HA -0.332 3.788 4.120 -0.000 0.000 0.264 88 V C 2.461 178.585 176.094 0.049 0.000 1.124 88 V CA 2.377 64.717 62.300 0.066 0.000 1.138 88 V CB -0.944 30.913 31.823 0.057 0.000 0.706 88 V HN 0.441 nan 8.190 nan 0.000 0.493 89 R N -0.629 119.895 120.500 0.040 0.000 2.156 89 R HA 0.050 4.390 4.340 -0.000 0.000 0.207 89 R C 1.970 178.285 176.300 0.024 0.000 1.040 89 R CA 0.906 57.024 56.100 0.030 0.000 1.013 89 R CB -0.036 30.279 30.300 0.025 0.000 0.931 89 R HN 0.646 nan 8.270 nan 0.000 0.465 90 N N 0.081 118.794 118.700 0.022 0.000 2.416 90 N HA -0.025 4.715 4.740 -0.000 0.000 0.177 90 N C 0.179 175.703 175.510 0.023 0.000 1.036 90 N CA 0.317 53.376 53.050 0.015 0.000 0.901 90 N CB 0.132 38.623 38.487 0.007 0.000 0.976 90 N HN 0.221 nan 8.380 nan 0.000 0.444 91 N N 0.873 119.595 118.700 0.037 0.000 2.484 91 N HA 0.137 4.877 4.740 -0.000 0.000 0.245 91 N C 0.001 175.537 175.510 0.043 0.000 1.184 91 N CA 0.153 53.230 53.050 0.046 0.000 0.884 91 N CB 0.417 38.945 38.487 0.068 0.000 1.182 91 N HN 0.219 nan 8.380 nan 0.000 0.493 92 L N -0.580 120.663 121.223 0.033 0.000 4.368 92 L HA 0.155 4.495 4.340 -0.000 0.000 0.430 92 L C -0.016 176.869 176.870 0.025 0.000 1.098 92 L CA -0.191 54.669 54.840 0.032 0.000 1.557 92 L CB 0.476 42.555 42.059 0.033 0.000 1.638 92 L HN 0.012 nan 8.230 nan 0.000 0.622 93 R N 0.650 121.162 120.500 0.021 0.000 3.627 93 R HA -0.139 4.201 4.340 -0.000 0.000 0.281 93 R C -0.243 176.066 176.300 0.014 0.000 1.140 93 R CA 0.967 57.076 56.100 0.015 0.000 0.761 93 R CB -2.690 27.620 30.300 0.016 0.000 1.181 93 R HN 0.321 nan 8.270 nan 0.000 0.472 94 V N -1.694 118.229 119.914 0.015 0.000 2.732 94 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 94 V C 0.885 176.983 176.094 0.007 0.000 1.053 94 V CA -1.198 61.111 62.300 0.015 0.000 0.957 94 V CB 2.741 34.577 31.823 0.022 0.000 1.018 94 V HN -0.005 nan 8.190 nan 0.000 0.452 95 R N 2.090 122.593 120.500 0.005 0.000 2.797 95 R HA 0.602 4.942 4.340 -0.000 0.000 0.251 95 R C -0.808 175.502 176.300 0.016 0.000 1.107 95 R CA -1.118 54.979 56.100 -0.006 0.000 1.084 95 R CB 0.844 31.134 30.300 -0.018 0.000 1.205 95 R HN 0.583 nan 8.270 nan 0.000 0.515 96 L N 1.627 122.865 121.223 0.025 0.000 2.385 96 L HA 0.216 4.556 4.340 -0.000 0.000 0.281 96 L C 1.356 178.269 176.870 0.071 0.000 1.106 96 L CA 1.039 55.919 54.840 0.066 0.000 0.856 96 L CB -0.217 41.918 42.059 0.126 0.000 1.186 96 L HN 1.073 nan 8.230 nan 0.000 0.453 97 G N 2.727 111.568 108.800 0.069 0.000 2.797 97 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.195 97 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.195 97 G C 0.127 175.074 174.900 0.079 0.000 1.026 97 G CA -0.588 44.562 45.100 0.083 0.000 0.759 97 G HN 0.497 nan 8.290 nan 0.000 0.475 98 D N 0.893 121.329 120.400 0.060 0.000 2.399 98 D HA 0.389 5.029 4.640 -0.000 0.000 0.241 98 D C 0.187 176.518 176.300 0.050 0.000 1.133 98 D CA 0.262 54.296 54.000 0.057 0.000 0.890 98 D CB 2.574 43.399 40.800 0.041 0.000 1.201 98 D HN 0.376 nan 8.370 nan 0.000 0.432 99 V N 2.736 122.679 119.914 0.048 0.000 2.483 99 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 99 V C -0.194 175.919 176.094 0.032 0.000 1.035 99 V CA -0.428 61.895 62.300 0.038 0.000 0.896 99 V CB 0.977 32.822 31.823 0.036 0.000 0.986 99 V HN 0.397 nan 8.190 nan 0.000 0.447 100 I N 4.503 125.090 120.570 0.028 0.000 3.237 100 I HA 0.591 4.761 4.170 -0.000 0.000 0.308 100 I C -0.095 176.035 176.117 0.021 0.000 1.093 100 I CA -0.757 60.558 61.300 0.025 0.000 1.001 100 I CB 2.467 40.482 38.000 0.025 0.000 1.245 100 I HN 0.727 nan 8.210 nan 0.000 0.485 101 S N 3.238 118.950 115.700 0.020 0.000 2.478 101 S HA 0.713 5.183 4.470 -0.000 0.000 0.312 101 S C -0.645 173.962 174.600 0.012 0.000 1.094 101 S CA -0.723 57.487 58.200 0.016 0.000 1.081 101 S CB 0.888 64.099 63.200 0.018 0.000 1.007 101 S HN 0.494 nan 8.310 nan 0.000 0.475 102 I N 0.054 120.628 120.570 0.006 0.000 2.707 102 I HA 0.721 4.891 4.170 -0.000 0.000 0.309 102 I C -0.545 175.570 176.117 -0.003 0.000 1.001 102 I CA -0.834 60.465 61.300 -0.000 0.000 1.129 102 I CB 1.766 39.764 38.000 -0.004 0.000 1.308 102 I HN 0.783 nan 8.210 nan 0.000 0.466 103 Q N 4.600 124.395 119.800 -0.008 0.000 2.364 103 Q HA 0.347 4.687 4.340 -0.000 0.000 0.251 103 Q C -2.835 173.156 176.000 -0.015 0.000 0.927 103 Q CA -1.622 54.177 55.803 -0.007 0.000 0.924 103 Q CB 2.830 31.570 28.738 0.004 0.000 1.419 103 Q HN 0.497 nan 8.270 nan 0.000 0.427 104 P HA -0.071 nan 4.420 nan 0.000 0.263 104 P C -0.435 176.859 177.300 -0.010 0.000 1.175 104 P CA 0.168 63.263 63.100 -0.008 0.000 0.761 104 P CB 0.550 32.253 31.700 0.005 0.000 0.794 105 C N 6.885 126.166 119.300 -0.030 0.000 3.498 105 C HA 0.293 4.753 4.460 -0.000 0.000 0.218 105 C C -1.436 173.533 174.990 -0.036 0.000 1.284 105 C CA -1.691 57.300 59.018 -0.045 0.000 1.343 105 C CB 0.150 27.804 27.740 -0.144 0.000 1.825 105 C HN 0.475 nan 8.230 nan 0.000 0.518 106 P HA 0.061 nan 4.420 nan 0.000 0.249 106 P C 0.600 177.925 177.300 0.042 0.000 1.229 106 P CA 0.854 63.969 63.100 0.025 0.000 0.788 106 P CB 0.007 31.734 31.700 0.045 0.000 1.072 107 D N 0.017 120.452 120.400 0.059 0.000 2.344 107 D HA 0.028 4.668 4.640 -0.000 0.000 0.242 107 D C 0.354 176.730 176.300 0.127 0.000 1.159 107 D CA -0.179 53.875 54.000 0.089 0.000 0.859 107 D CB -0.145 40.714 40.800 0.099 0.000 0.925 107 D HN 0.023 nan 8.370 nan 0.000 0.510 108 V N 0.728 120.705 119.914 0.104 0.000 2.583 108 V HA 0.153 4.273 4.120 -0.000 0.000 0.287 108 V C 0.502 176.651 176.094 0.093 0.000 1.051 108 V CA -0.471 61.910 62.300 0.134 0.000 1.010 108 V CB 1.189 33.042 31.823 0.050 0.000 0.988 108 V HN 0.006 nan 8.190 nan 0.000 0.478 109 K N 3.603 124.069 120.400 0.111 0.000 2.244 109 K HA 0.487 4.807 4.320 -0.000 0.000 0.260 109 K C -1.214 175.465 176.600 0.132 0.000 0.951 109 K CA -0.886 55.489 56.287 0.147 0.000 0.826 109 K CB 1.325 33.898 32.500 0.123 0.000 1.108 109 K HN 0.470 nan 8.250 nan 0.000 0.433 110 Y N 1.663 121.950 120.300 -0.021 0.000 2.867 110 Y HA -0.114 4.436 4.550 -0.000 0.000 0.367 110 Y C 1.571 177.462 175.900 -0.016 0.000 1.310 110 Y CA 0.716 58.794 58.100 -0.036 0.000 1.655 110 Y CB -0.848 37.567 38.460 -0.075 0.000 1.181 110 Y HN 0.789 nan 8.280 nan 0.000 0.533 111 G N 2.889 111.729 108.800 0.066 0.000 2.825 111 G HA2 0.050 4.010 3.960 -0.000 0.000 0.241 111 G HA3 0.050 4.010 3.960 -0.000 0.000 0.241 111 G C 0.783 175.705 174.900 0.038 0.000 1.239 111 G CA -0.061 45.060 45.100 0.035 0.000 0.859 111 G HN 0.690 nan 8.290 nan 0.000 0.598 112 K N -1.172 119.228 120.400 0.000 0.000 2.412 112 K HA 0.200 4.520 4.320 -0.000 0.000 0.201 112 K C 0.766 177.335 176.600 -0.050 0.000 1.275 112 K CA 0.439 56.721 56.287 -0.008 0.000 0.910 112 K CB 0.623 33.118 32.500 -0.008 0.000 1.346 112 K HN 0.503 nan 8.250 nan 0.000 0.490 113 R N 0.391 120.836 120.500 -0.092 0.000 2.538 113 R HA 0.477 4.817 4.340 -0.000 0.000 0.292 113 R C -1.001 175.193 176.300 -0.178 0.000 1.008 113 R CA -0.477 55.505 56.100 -0.197 0.000 0.896 113 R CB 1.939 32.088 30.300 -0.251 0.000 1.187 113 R HN -0.003 nan 8.270 nan 0.000 0.440 114 I N 3.097 123.545 120.570 -0.203 0.000 2.595 114 I HA 0.119 4.289 4.170 -0.000 0.000 0.275 114 I C -0.280 175.784 176.117 -0.089 0.000 1.092 114 I CA -0.586 60.642 61.300 -0.120 0.000 1.145 114 I CB 0.764 38.688 38.000 -0.127 0.000 1.276 114 I HN 0.540 nan 8.210 nan 0.000 0.497 115 H N 6.772 125.737 119.070 -0.175 0.000 3.015 115 H HA 0.369 4.925 4.556 -0.000 0.000 0.268 115 H C -0.845 174.451 175.328 -0.053 0.000 1.113 115 H CA 0.039 56.027 56.048 -0.100 0.000 1.479 115 H CB 0.645 30.351 29.762 -0.093 0.000 1.493 115 H HN 0.372 nan 8.280 nan 0.000 0.486 116 V N 3.483 123.388 119.914 -0.014 0.000 3.181 116 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 116 V C -0.863 175.199 176.094 -0.053 0.000 1.173 116 V CA -1.023 61.275 62.300 -0.003 0.000 1.052 116 V CB 2.737 34.529 31.823 -0.051 0.000 1.123 116 V HN 0.619 nan 8.190 nan 0.000 0.454 117 L N 1.001 122.219 121.223 -0.008 0.000 2.591 117 L HA 0.514 4.854 4.340 -0.000 0.000 0.257 117 L C -2.953 174.036 176.870 0.197 0.000 0.935 117 L CA -1.380 53.493 54.840 0.056 0.000 0.873 117 L CB 3.451 45.543 42.059 0.054 0.000 1.397 117 L HN 0.573 nan 8.230 nan 0.000 0.414 118 P HA 0.208 nan 4.420 nan 0.000 0.282 118 P C -0.417 176.896 177.300 0.021 0.000 1.262 118 P CA -0.171 63.070 63.100 0.235 0.000 0.773 118 P CB 0.886 32.769 31.700 0.303 0.000 0.879 119 I N 4.642 125.165 120.570 -0.080 0.000 2.671 119 I HA -0.111 4.059 4.170 -0.000 0.000 0.285 119 I C 2.047 178.120 176.117 -0.073 0.000 1.148 119 I CA 0.280 61.533 61.300 -0.078 0.000 1.386 119 I CB -0.003 37.930 38.000 -0.111 0.000 1.406 119 I HN 0.512 nan 8.210 nan 0.000 0.540 120 D N 5.230 125.608 120.400 -0.037 0.000 2.381 120 D HA -0.281 4.359 4.640 -0.000 0.000 0.212 120 D C 0.778 177.053 176.300 -0.042 0.000 0.988 120 D CA 1.669 55.652 54.000 -0.029 0.000 0.942 120 D CB -0.214 40.577 40.800 -0.014 0.000 0.882 120 D HN 0.779 nan 8.370 nan 0.000 0.480 121 D N -0.778 119.587 120.400 -0.058 0.000 2.363 121 D HA -0.021 4.619 4.640 -0.000 0.000 0.214 121 D C 1.312 177.565 176.300 -0.079 0.000 1.093 121 D CA 0.440 54.406 54.000 -0.057 0.000 0.837 121 D CB 0.155 40.926 40.800 -0.047 0.000 0.948 121 D HN 0.261 nan 8.370 nan 0.000 0.507 122 T N -2.812 111.672 114.554 -0.116 0.000 3.040 122 T HA 0.137 4.487 4.350 -0.000 0.000 0.266 122 T C 1.353 175.958 174.700 -0.158 0.000 1.005 122 T CA 0.289 62.296 62.100 -0.155 0.000 0.906 122 T CB 0.098 68.824 68.868 -0.236 0.000 1.082 122 T HN 0.129 nan 8.240 nan 0.000 0.531 123 V N -2.399 117.449 119.914 -0.110 0.000 3.605 123 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 123 V C 0.427 176.506 176.094 -0.025 0.000 1.386 123 V CA -0.419 61.840 62.300 -0.068 0.000 1.053 123 V CB -0.021 31.778 31.823 -0.039 0.000 0.857 123 V HN 0.154 nan 8.190 nan 0.000 0.436 124 E N 2.606 122.789 120.200 -0.028 0.000 1.909 124 E HA 0.366 4.716 4.350 -0.000 0.000 0.253 124 E C 1.197 177.795 176.600 -0.003 0.000 1.268 124 E CA 1.099 57.492 56.400 -0.012 0.000 0.999 124 E CB 0.074 29.765 29.700 -0.015 0.000 1.072 124 E HN 0.808 nan 8.360 nan 0.000 0.428 125 G N 2.379 111.184 108.800 0.009 0.000 2.813 125 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.194 125 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.194 125 G C 0.399 175.318 174.900 0.031 0.000 1.010 125 G CA -0.185 44.925 45.100 0.017 0.000 0.771 125 G HN 0.479 nan 8.290 nan 0.000 0.485 126 I N 0.910 121.505 120.570 0.043 0.000 2.325 126 I HA 0.737 4.907 4.170 -0.000 0.000 0.291 126 I C 0.027 176.191 176.117 0.079 0.000 1.019 126 I CA -0.482 60.863 61.300 0.076 0.000 1.302 126 I CB 1.541 39.614 38.000 0.122 0.000 1.401 126 I HN -0.032 nan 8.210 nan 0.000 0.485 127 T N 4.350 118.948 114.554 0.072 0.000 2.944 127 T HA 0.796 5.146 4.350 -0.000 0.000 0.284 127 T C 0.097 174.844 174.700 0.079 0.000 1.010 127 T CA 0.675 62.814 62.100 0.065 0.000 1.025 127 T CB 1.276 70.170 68.868 0.044 0.000 1.079 127 T HN 1.324 nan 8.240 nan 0.000 0.516 128 G N 2.342 111.185 108.800 0.072 0.000 2.566 128 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.599 128 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.599 128 G C -0.682 174.279 174.900 0.102 0.000 1.292 128 G CA -0.593 44.552 45.100 0.075 0.000 0.922 128 G HN 0.867 nan 8.290 nan 0.000 0.514 129 N N 0.651 119.412 118.700 0.102 0.000 2.411 129 N HA 0.265 5.005 4.740 -0.000 0.000 0.259 129 N C 1.829 177.452 175.510 0.187 0.000 1.103 129 N CA -0.210 52.922 53.050 0.136 0.000 0.954 129 N CB 0.696 39.262 38.487 0.132 0.000 1.085 129 N HN 0.517 nan 8.380 nan 0.000 0.485 130 L N 3.795 125.168 121.223 0.249 0.000 1.976 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 130 L C 2.030 179.112 176.870 0.353 0.000 1.071 130 L CA 1.121 56.196 54.840 0.393 0.000 0.746 130 L CB -0.713 41.571 42.059 0.374 0.000 0.890 130 L HN 0.490 nan 8.230 nan 0.000 0.432 131 F N 2.017 122.032 119.950 0.108 0.000 2.088 131 F HA -0.423 4.103 4.527 -0.000 0.000 0.296 131 F C 2.643 178.505 175.800 0.102 0.000 1.161 131 F CA 2.374 60.421 58.000 0.078 0.000 1.236 131 F CB -0.924 38.101 39.000 0.042 0.000 0.936 131 F HN 0.385 nan 8.300 nan 0.000 0.528 132 E N -0.230 119.807 120.200 -0.272 0.000 2.136 132 E HA -0.256 4.094 4.350 -0.000 0.000 0.202 132 E C 1.978 178.423 176.600 -0.259 0.000 1.019 132 E CA 2.381 58.540 56.400 -0.402 0.000 0.819 132 E CB -1.131 28.491 29.700 -0.130 0.000 0.739 132 E HN 0.408 nan 8.360 nan 0.000 0.458 133 V N -0.173 119.655 119.914 -0.142 0.000 2.256 133 V HA -0.196 3.924 4.120 -0.000 0.000 0.240 133 V C 1.926 177.830 176.094 -0.317 0.000 1.036 133 V CA 1.965 64.101 62.300 -0.273 0.000 1.008 133 V CB -0.764 30.820 31.823 -0.398 0.000 0.648 133 V HN 0.284 nan 8.190 nan 0.000 0.453 134 Y N -1.405 118.947 120.300 0.087 0.000 2.464 134 Y HA 0.207 4.757 4.550 -0.000 0.000 0.288 134 Y C 2.222 178.208 175.900 0.144 0.000 1.133 134 Y CA 0.055 58.250 58.100 0.159 0.000 1.223 134 Y CB -0.310 38.355 38.460 0.340 0.000 1.187 134 Y HN -0.013 nan 8.280 nan 0.000 0.539 135 L N 1.022 122.425 121.223 0.299 0.000 1.943 135 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 135 L C 2.374 179.417 176.870 0.289 0.000 1.074 135 L CA 1.987 57.026 54.840 0.332 0.000 0.759 135 L CB -1.304 41.087 42.059 0.554 0.000 0.888 135 L HN 0.242 nan 8.230 nan 0.000 0.433 136 K N 0.037 120.411 120.400 -0.043 0.000 2.020 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 136 K C -0.214 176.390 176.600 0.006 0.000 1.050 136 K CA 2.055 58.293 56.287 -0.082 0.000 0.929 136 K CB -0.915 31.326 32.500 -0.431 0.000 0.714 136 K HN 0.169 nan 8.250 nan 0.000 0.443 137 P HA -0.169 nan 4.420 nan 0.000 0.218 137 P C 0.754 178.025 177.300 -0.048 0.000 1.148 137 P CA 1.081 64.155 63.100 -0.042 0.000 0.822 137 P CB -0.091 31.582 31.700 -0.044 0.000 0.784 138 Y N -0.888 119.302 120.300 -0.184 0.000 2.114 138 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 138 Y C 1.890 177.488 175.900 -0.504 0.000 1.143 138 Y CA 1.781 59.625 58.100 -0.426 0.000 1.135 138 Y CB -0.738 37.299 38.460 -0.705 0.000 0.980 138 Y HN -0.153 nan 8.280 nan 0.000 0.499 139 F N -0.908 119.068 119.950 0.043 0.000 2.530 139 F HA 0.096 4.623 4.527 -0.000 0.000 0.292 139 F C 0.629 176.365 175.800 -0.106 0.000 1.109 139 F CA -0.240 57.737 58.000 -0.039 0.000 1.450 139 F CB -0.681 38.388 39.000 0.114 0.000 1.114 139 F HN -0.152 nan 8.300 nan 0.000 0.560 140 L N 2.674 123.944 121.223 0.079 0.000 2.841 140 L HA -0.161 4.179 4.340 -0.000 0.000 0.282 140 L C 0.542 177.331 176.870 -0.135 0.000 1.130 140 L CA 0.192 55.024 54.840 -0.013 0.000 0.996 140 L CB -1.095 40.948 42.059 -0.027 0.000 1.364 140 L HN 0.375 nan 8.230 nan 0.000 0.466 141 E N 2.725 122.777 120.200 -0.246 0.000 2.240 141 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 141 E C 0.493 176.819 176.600 -0.457 0.000 1.385 141 E CA 0.444 56.572 56.400 -0.454 0.000 0.686 141 E CB -1.192 28.366 29.700 -0.237 0.000 1.125 141 E HN 0.822 nan 8.360 nan 0.000 0.359 142 A N 0.228 122.731 122.820 -0.527 0.000 1.780 142 A HA 0.241 4.561 4.320 -0.000 0.000 0.208 142 A C 0.135 177.640 177.584 -0.132 0.000 1.761 142 A CA 0.452 52.321 52.037 -0.280 0.000 1.183 142 A CB 0.264 19.143 19.000 -0.203 0.000 1.162 142 A HN 0.447 nan 8.150 nan 0.000 0.472 143 Y N 0.576 120.907 120.300 0.051 0.000 3.929 143 Y HA -0.207 4.343 4.550 -0.000 0.000 0.225 143 Y C 0.288 176.191 175.900 0.004 0.000 1.200 143 Y CA 0.331 58.431 58.100 0.001 0.000 1.791 143 Y CB -2.634 35.785 38.460 -0.068 0.000 1.561 143 Y HN 0.490 nan 8.280 nan 0.000 0.657 144 R N 1.817 122.435 120.500 0.197 0.000 2.549 144 R HA 0.006 4.346 4.340 -0.000 0.000 0.336 144 R C -2.045 174.353 176.300 0.162 0.000 0.891 144 R CA -0.694 55.500 56.100 0.157 0.000 1.102 144 R CB -0.143 30.274 30.300 0.196 0.000 0.899 144 R HN 0.174 nan 8.270 nan 0.000 0.407 145 P HA 0.009 nan 4.420 nan 0.000 0.266 145 P C -0.245 177.137 177.300 0.137 0.000 1.195 145 P CA 0.622 63.761 63.100 0.066 0.000 0.768 145 P CB 0.840 32.542 31.700 0.002 0.000 0.838 146 I N 1.584 122.249 120.570 0.159 0.000 2.802 146 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 146 I C 0.160 176.404 176.117 0.212 0.000 1.176 146 I CA -1.017 60.416 61.300 0.221 0.000 1.025 146 I CB 3.195 41.367 38.000 0.286 0.000 1.243 146 I HN 0.272 nan 8.210 nan 0.000 0.424 147 R N 3.908 124.537 120.500 0.215 0.000 2.686 147 R HA 0.373 4.713 4.340 -0.000 0.000 0.286 147 R C -0.650 175.734 176.300 0.141 0.000 0.969 147 R CA -0.854 55.375 56.100 0.215 0.000 0.898 147 R CB 1.969 32.426 30.300 0.262 0.000 1.183 147 R HN 0.560 nan 8.270 nan 0.000 0.456 148 K N 2.085 122.539 120.400 0.090 0.000 2.504 148 K HA -0.033 4.287 4.320 -0.000 0.000 0.278 148 K C 0.357 176.988 176.600 0.050 0.000 1.025 148 K CA 1.819 58.135 56.287 0.049 0.000 1.093 148 K CB 0.059 32.564 32.500 0.008 0.000 0.873 148 K HN 0.866 nan 8.250 nan 0.000 0.483 149 G N 3.249 112.074 108.800 0.041 0.000 2.176 149 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 149 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 149 G C -0.415 174.509 174.900 0.039 0.000 0.986 149 G CA 0.041 45.160 45.100 0.031 0.000 0.643 149 G HN 0.725 nan 8.290 nan 0.000 0.522 150 D N 0.405 120.846 120.400 0.068 0.000 2.350 150 D HA 0.451 5.091 4.640 -0.000 0.000 0.249 150 D C 0.615 176.933 176.300 0.030 0.000 1.119 150 D CA 0.248 54.301 54.000 0.088 0.000 0.886 150 D CB 1.170 42.073 40.800 0.171 0.000 1.195 150 D HN 0.281 nan 8.370 nan 0.000 0.437 151 I N 3.748 124.331 120.570 0.023 0.000 2.328 151 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 151 I C -0.106 176.039 176.117 0.045 0.000 1.012 151 I CA -0.777 60.492 61.300 -0.052 0.000 1.195 151 I CB 0.347 38.320 38.000 -0.045 0.000 1.350 151 I HN 0.198 nan 8.210 nan 0.000 0.464 152 F N 6.004 125.980 119.950 0.042 0.000 2.538 152 F HA 0.782 5.309 4.527 -0.000 0.000 0.325 152 F C -1.312 174.440 175.800 -0.081 0.000 1.066 152 F CA -1.337 56.675 58.000 0.021 0.000 0.946 152 F CB 1.370 40.416 39.000 0.076 0.000 1.199 152 F HN 0.181 nan 8.300 nan 0.000 0.473 153 L N 3.504 124.926 121.223 0.332 0.000 2.317 153 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 153 L C -1.071 175.872 176.870 0.121 0.000 1.024 153 L CA -0.791 54.127 54.840 0.130 0.000 0.810 153 L CB 1.896 43.984 42.059 0.048 0.000 1.240 153 L HN 0.635 nan 8.230 nan 0.000 0.427 154 V N 5.003 124.932 119.914 0.026 0.000 2.483 154 V HA 0.521 4.641 4.120 -0.000 0.000 0.297 154 V C -0.200 175.966 176.094 0.119 0.000 1.027 154 V CA -0.755 61.613 62.300 0.114 0.000 0.855 154 V CB 1.550 33.475 31.823 0.170 0.000 0.995 154 V HN 0.609 nan 8.190 nan 0.000 0.424 155 R N 3.229 123.819 120.500 0.150 0.000 2.230 155 R HA 0.676 5.016 4.340 -0.000 0.000 0.337 155 R C 0.337 176.753 176.300 0.193 0.000 1.063 155 R CA -0.111 56.069 56.100 0.134 0.000 0.935 155 R CB 1.429 31.775 30.300 0.077 0.000 1.121 155 R HN 0.938 nan 8.270 nan 0.000 0.486 156 G N -0.631 108.362 108.800 0.322 0.000 2.682 156 G HA2 0.440 4.400 3.960 -0.000 0.000 0.290 156 G HA3 0.440 4.400 3.960 -0.000 0.000 0.290 156 G C 0.198 175.240 174.900 0.238 0.000 1.425 156 G CA -0.311 44.911 45.100 0.204 0.000 0.807 156 G HN 0.526 nan 8.290 nan 0.000 0.482 157 G N -0.582 108.223 108.800 0.007 0.000 2.233 157 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.270 157 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.270 157 G C 0.879 175.833 174.900 0.091 0.000 1.011 157 G CA 1.019 46.143 45.100 0.040 0.000 0.762 157 G HN 1.722 nan 8.290 nan 0.000 0.511 158 M N -2.503 117.144 119.600 0.077 0.000 2.417 158 M HA -0.231 4.249 4.480 -0.000 0.000 0.205 158 M C 0.862 177.200 176.300 0.064 0.000 0.452 158 M CA 2.064 57.400 55.300 0.060 0.000 0.512 158 M CB -1.075 31.548 32.600 0.038 0.000 1.774 158 M HN 1.254 nan 8.290 nan 0.000 0.874 159 R N -1.247 119.302 120.500 0.082 0.000 3.875 159 R HA 0.886 5.226 4.340 -0.000 0.000 0.255 159 R C -1.762 174.554 176.300 0.026 0.000 0.953 159 R CA -0.463 55.663 56.100 0.043 0.000 0.771 159 R CB 0.819 31.138 30.300 0.032 0.000 1.781 159 R HN 0.385 nan 8.270 nan 0.000 0.393 160 A N 0.510 123.306 122.820 -0.039 0.000 2.422 160 A HA 0.691 5.011 4.320 -0.000 0.000 0.302 160 A C -1.321 176.129 177.584 -0.223 0.000 1.041 160 A CA -0.700 51.282 52.037 -0.092 0.000 0.708 160 A CB 2.231 21.183 19.000 -0.080 0.000 1.257 160 A HN 0.425 nan 8.150 nan 0.000 0.414 161 V N 2.005 121.711 119.914 -0.347 0.000 2.483 161 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 161 V C -0.321 175.332 176.094 -0.735 0.000 1.027 161 V CA -0.561 61.347 62.300 -0.655 0.000 0.855 161 V CB 1.390 32.568 31.823 -1.075 0.000 0.995 161 V HN 0.928 nan 8.190 nan 0.000 0.424 162 E N 4.274 124.076 120.200 -0.664 0.000 2.146 162 E HA 0.547 4.896 4.350 -0.000 0.000 0.282 162 E C -1.515 174.680 176.600 -0.675 0.000 0.989 162 E CA -0.307 55.783 56.400 -0.516 0.000 0.799 162 E CB 1.317 30.847 29.700 -0.284 0.000 1.088 162 E HN 0.509 nan 8.360 nan 0.000 0.397 163 F N 2.145 121.852 119.950 -0.405 0.000 2.482 163 F HA 0.334 4.861 4.527 -0.000 0.000 0.331 163 F C 0.329 175.739 175.800 -0.651 0.000 1.115 163 F CA -1.022 56.637 58.000 -0.568 0.000 0.955 163 F CB 1.546 40.078 39.000 -0.780 0.000 1.136 163 F HN 0.164 nan 8.300 nan 0.000 0.452 164 K N 2.872 123.186 120.400 -0.144 0.000 2.240 164 K HA 0.574 4.894 4.320 -0.000 0.000 0.271 164 K C -1.225 175.328 176.600 -0.080 0.000 1.018 164 K CA -0.530 55.684 56.287 -0.123 0.000 0.874 164 K CB 1.203 33.673 32.500 -0.049 0.000 1.098 164 K HN 0.493 nan 8.250 nan 0.000 0.458 165 V N 6.121 125.998 119.914 -0.061 0.000 2.381 165 V HA -0.015 4.105 4.120 -0.000 0.000 0.257 165 V C 1.184 177.296 176.094 0.029 0.000 1.057 165 V CA -0.173 62.136 62.300 0.016 0.000 1.013 165 V CB 0.629 32.494 31.823 0.070 0.000 1.069 165 V HN 0.702 nan 8.190 nan 0.000 0.484 166 V N 3.116 123.064 119.914 0.057 0.000 2.331 166 V HA 0.092 4.212 4.120 -0.000 0.000 0.242 166 V C 0.825 176.903 176.094 -0.026 0.000 1.034 166 V CA 1.027 63.347 62.300 0.034 0.000 1.027 166 V CB -0.067 31.810 31.823 0.089 0.000 0.667 166 V HN 0.850 nan 8.190 nan 0.000 0.457 167 E N 0.753 120.936 120.200 -0.029 0.000 2.281 167 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 167 E C -0.781 175.793 176.600 -0.043 0.000 0.893 167 E CA -0.305 56.042 56.400 -0.089 0.000 0.798 167 E CB 1.467 31.024 29.700 -0.239 0.000 1.245 167 E HN 0.424 nan 8.360 nan 0.000 0.410 168 T N 1.712 116.245 114.554 -0.035 0.000 2.770 168 T HA 0.310 4.660 4.350 -0.000 0.000 0.283 168 T C 0.689 175.363 174.700 -0.044 0.000 0.988 168 T CA -0.870 61.213 62.100 -0.029 0.000 0.957 168 T CB 1.616 70.488 68.868 0.007 0.000 0.930 168 T HN 0.366 nan 8.240 nan 0.000 0.443 169 D N 2.991 123.359 120.400 -0.053 0.000 2.157 169 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 169 D C -1.377 174.902 176.300 -0.035 0.000 0.995 169 D CA 1.055 55.026 54.000 -0.048 0.000 0.860 169 D CB -0.936 39.835 40.800 -0.048 0.000 1.016 169 D HN 0.376 nan 8.370 nan 0.000 0.452 170 P HA 0.040 nan 4.420 nan 0.000 0.252 170 P C -0.842 176.434 177.300 -0.040 0.000 1.635 170 P CA 0.155 63.248 63.100 -0.013 0.000 1.206 170 P CB 0.059 31.773 31.700 0.023 0.000 1.911 171 S N 3.441 119.100 115.700 -0.069 0.000 2.576 171 S HA 0.218 4.688 4.470 -0.000 0.000 0.276 171 S C -0.452 174.027 174.600 -0.201 0.000 1.339 171 S CA -1.172 56.962 58.200 -0.110 0.000 1.039 171 S CB 0.156 63.303 63.200 -0.089 0.000 0.902 171 S HN 0.256 nan 8.310 nan 0.000 0.516 172 P HA 0.040 nan 4.420 nan 0.000 0.213 172 P C -0.301 176.912 177.300 -0.146 0.000 1.176 172 P CA 0.959 63.906 63.100 -0.255 0.000 0.894 172 P CB -0.203 31.308 31.700 -0.316 0.000 0.771 173 Y N 1.308 121.618 120.300 0.016 0.000 2.320 173 Y HA 0.542 5.092 4.550 -0.000 0.000 0.334 173 Y C 0.465 176.371 175.900 0.010 0.000 1.055 173 Y CA -2.526 55.587 58.100 0.022 0.000 1.143 173 Y CB -0.381 38.097 38.460 0.030 0.000 1.193 173 Y HN 0.197 nan 8.280 nan 0.000 0.477 174 C N 2.554 121.981 119.300 0.212 0.000 3.161 174 C HA 0.841 5.301 4.460 -0.000 0.000 0.330 174 C C -0.426 174.596 174.990 0.053 0.000 1.396 174 C CA -1.472 57.616 59.018 0.116 0.000 1.536 174 C CB 1.103 28.876 27.740 0.056 0.000 1.978 174 C HN 0.888 nan 8.230 nan 0.000 0.454 175 I N 1.966 122.508 120.570 -0.045 0.000 2.405 175 I HA 0.230 4.400 4.170 -0.000 0.000 0.280 175 I C -0.143 175.921 176.117 -0.088 0.000 1.027 175 I CA -0.477 60.752 61.300 -0.118 0.000 1.161 175 I CB 1.549 39.328 38.000 -0.368 0.000 1.300 175 I HN 0.553 nan 8.210 nan 0.000 0.463 176 V N 6.579 126.486 119.914 -0.011 0.000 2.568 176 V HA -0.087 4.033 4.120 -0.000 0.000 0.270 176 V C 1.098 177.272 176.094 0.133 0.000 0.963 176 V CA 0.323 62.598 62.300 -0.041 0.000 1.161 176 V CB -0.845 30.817 31.823 -0.268 0.000 0.969 176 V HN 0.811 nan 8.190 nan 0.000 0.464 177 A N 8.900 131.814 122.820 0.156 0.000 2.239 177 A HA 0.731 5.051 4.320 -0.000 0.000 0.303 177 A C -0.544 177.230 177.584 0.316 0.000 1.114 177 A CA -1.179 51.064 52.037 0.344 0.000 0.871 177 A CB 0.347 19.574 19.000 0.379 0.000 1.201 177 A HN 0.567 nan 8.150 nan 0.000 0.506 178 P HA -0.086 nan 4.420 nan 0.000 0.219 178 P C -0.037 177.360 177.300 0.161 0.000 1.150 178 P CA 1.455 64.701 63.100 0.244 0.000 0.814 178 P CB -0.006 31.841 31.700 0.245 0.000 0.787 179 D N -0.894 119.591 120.400 0.143 0.000 2.340 179 D HA -0.001 4.639 4.640 -0.000 0.000 0.220 179 D C 0.128 176.471 176.300 0.071 0.000 1.039 179 D CA 0.614 54.668 54.000 0.091 0.000 0.866 179 D CB -0.521 40.317 40.800 0.063 0.000 0.913 179 D HN 0.088 nan 8.370 nan 0.000 0.523 180 T N 1.367 115.965 114.554 0.074 0.000 2.855 180 T HA 0.134 4.484 4.350 -0.000 0.000 0.290 180 T C 0.351 175.048 174.700 -0.006 0.000 0.941 180 T CA -0.358 61.756 62.100 0.024 0.000 1.030 180 T CB 0.619 69.490 68.868 0.006 0.000 0.935 180 T HN -0.165 nan 8.240 nan 0.000 0.564 181 V N 6.250 126.161 119.914 -0.005 0.000 2.484 181 V HA -0.014 4.106 4.120 -0.000 0.000 0.276 181 V C 0.836 176.897 176.094 -0.055 0.000 0.976 181 V CA 0.358 62.661 62.300 0.005 0.000 1.141 181 V CB -0.775 31.091 31.823 0.072 0.000 0.975 181 V HN 0.756 nan 8.190 nan 0.000 0.466 182 I N 6.556 127.073 120.570 -0.088 0.000 2.260 182 I HA 0.209 4.379 4.170 -0.000 0.000 0.297 182 I C 0.871 176.888 176.117 -0.166 0.000 1.143 182 I CA -0.092 61.119 61.300 -0.148 0.000 1.271 182 I CB -0.331 37.597 38.000 -0.121 0.000 1.461 182 I HN 0.628 nan 8.210 nan 0.000 0.530 183 H N 4.462 123.391 119.070 -0.234 0.000 2.690 183 H HA 0.206 4.762 4.556 -0.000 0.000 0.365 183 H C -0.266 174.871 175.328 -0.317 0.000 1.142 183 H CA -0.582 55.301 56.048 -0.275 0.000 1.417 183 H CB 1.712 31.342 29.762 -0.221 0.000 1.446 183 H HN 0.525 nan 8.280 nan 0.000 0.599 184 C N 4.173 123.362 119.300 -0.184 0.000 2.919 184 C HA 0.193 4.653 4.460 -0.000 0.000 0.337 184 C C -0.029 174.860 174.990 -0.167 0.000 1.039 184 C CA -0.647 58.255 59.018 -0.194 0.000 1.373 184 C CB -1.006 26.650 27.740 -0.140 0.000 1.843 184 C HN 0.859 nan 8.230 nan 0.000 0.493 185 E N 1.831 121.907 120.200 -0.207 0.000 3.570 185 E HA 0.470 4.820 4.350 -0.000 0.000 0.298 185 E C 1.077 177.644 176.600 -0.055 0.000 1.489 185 E CA 0.659 56.986 56.400 -0.121 0.000 1.457 185 E CB 0.360 30.000 29.700 -0.099 0.000 1.247 185 E HN 0.784 nan 8.360 nan 0.000 0.778 186 G N 0.127 108.913 108.800 -0.024 0.000 4.959 186 G HA2 0.204 4.164 3.960 -0.000 0.000 0.297 186 G HA3 0.204 4.164 3.960 -0.000 0.000 0.297 186 G C -0.576 174.331 174.900 0.012 0.000 1.351 186 G CA -0.232 44.869 45.100 0.001 0.000 1.016 186 G HN 0.115 nan 8.290 nan 0.000 0.592 187 E N 1.394 121.604 120.200 0.017 0.000 3.352 187 E HA 0.202 4.552 4.350 -0.000 0.000 0.254 187 E C -2.655 173.962 176.600 0.028 0.000 1.229 187 E CA -1.419 54.995 56.400 0.023 0.000 0.949 187 E CB 1.880 31.595 29.700 0.026 0.000 1.373 187 E HN 0.162 nan 8.360 nan 0.000 0.392 188 P HA -0.098 nan 4.420 nan 0.000 0.260 188 P C 0.008 177.320 177.300 0.020 0.000 1.147 188 P CA 0.789 63.907 63.100 0.030 0.000 0.758 188 P CB 0.300 32.012 31.700 0.020 0.000 0.744 189 I N 3.236 123.818 120.570 0.021 0.000 2.471 189 I HA 0.067 4.237 4.170 -0.000 0.000 0.286 189 I C 1.277 177.393 176.117 -0.003 0.000 1.079 189 I CA -0.413 60.894 61.300 0.012 0.000 1.398 189 I CB 0.339 38.348 38.000 0.014 0.000 1.403 189 I HN 0.285 nan 8.210 nan 0.000 0.530 190 K N 6.862 127.261 120.400 -0.002 0.000 2.489 190 K HA -0.010 4.310 4.320 -0.000 0.000 0.278 190 K C 0.437 177.029 176.600 -0.013 0.000 1.000 190 K CA -0.245 56.038 56.287 -0.007 0.000 1.012 190 K CB 0.460 32.958 32.500 -0.003 0.000 0.903 190 K HN 0.509 nan 8.250 nan 0.000 0.485 191 R N 4.339 124.828 120.500 -0.018 0.000 2.402 191 R HA -0.032 4.308 4.340 -0.000 0.000 0.331 191 R C -0.542 175.749 176.300 -0.014 0.000 1.040 191 R CA -0.288 55.799 56.100 -0.022 0.000 0.980 191 R CB 0.366 30.650 30.300 -0.027 0.000 0.967 191 R HN 0.518 nan 8.270 nan 0.000 0.440 192 E N 3.245 123.438 120.200 -0.012 0.000 2.392 192 E HA -0.104 4.246 4.350 -0.000 0.000 0.264 192 E C 0.421 177.018 176.600 -0.006 0.000 1.024 192 E CA 0.127 56.523 56.400 -0.007 0.000 0.903 192 E CB 0.860 30.556 29.700 -0.006 0.000 0.963 192 E HN 0.688 nan 8.360 nan 0.000 0.432 193 D N 2.483 122.881 120.400 -0.003 0.000 2.269 193 D HA -0.279 4.361 4.640 -0.000 0.000 0.191 193 D C 1.551 177.853 176.300 0.002 0.000 1.007 193 D CA 2.528 56.528 54.000 0.000 0.000 0.855 193 D CB 0.205 41.005 40.800 0.000 0.000 0.979 193 D HN 0.564 nan 8.370 nan 0.000 0.452 194 E N 0.880 121.081 120.200 0.002 0.000 2.160 194 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 194 E C 0.406 177.006 176.600 0.001 0.000 0.991 194 E CA 0.925 57.327 56.400 0.004 0.000 0.810 194 E CB -0.959 28.743 29.700 0.004 0.000 0.742 194 E HN 0.590 nan 8.360 nan 0.000 0.466 195 E N 3.077 123.275 120.200 -0.003 0.000 2.323 195 E HA 0.034 4.384 4.350 -0.000 0.000 0.313 195 E C -0.166 176.426 176.600 -0.013 0.000 1.236 195 E CA -0.156 56.239 56.400 -0.008 0.000 1.333 195 E CB -0.492 29.200 29.700 -0.013 0.000 1.138 195 E HN 0.428 nan 8.360 nan 0.000 0.492 196 E N 0.716 120.910 120.200 -0.010 0.000 2.459 196 E HA -0.021 4.329 4.350 -0.000 0.000 0.264 196 E C -0.029 176.556 176.600 -0.026 0.000 1.055 196 E CA -0.175 56.217 56.400 -0.013 0.000 0.957 196 E CB 0.624 30.317 29.700 -0.012 0.000 0.952 196 E HN 0.039 nan 8.360 nan 0.000 0.448 197 S N 1.405 117.086 115.700 -0.032 0.000 2.576 197 S HA 0.023 4.493 4.470 -0.000 0.000 0.272 197 S C 0.870 175.442 174.600 -0.048 0.000 1.352 197 S CA -0.499 57.674 58.200 -0.045 0.000 1.021 197 S CB 0.226 63.397 63.200 -0.048 0.000 0.887 197 S HN 0.563 nan 8.310 nan 0.000 0.542 198 L N 2.859 124.050 121.223 -0.054 0.000 2.640 198 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 198 L C 1.611 178.448 176.870 -0.055 0.000 1.123 198 L CA 0.178 54.990 54.840 -0.047 0.000 0.900 198 L CB -0.481 41.555 42.059 -0.038 0.000 1.146 198 L HN 0.652 nan 8.230 nan 0.000 0.484 199 N N 0.082 118.743 118.700 -0.064 0.000 2.336 199 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 199 N C 0.488 175.956 175.510 -0.069 0.000 1.113 199 N CA 0.107 53.117 53.050 -0.067 0.000 0.858 199 N CB 0.344 38.789 38.487 -0.070 0.000 0.970 199 N HN 0.047 nan 8.380 nan 0.000 0.471 200 E N 0.370 120.528 120.200 -0.070 0.000 2.392 200 E HA 0.013 4.363 4.350 -0.000 0.000 0.264 200 E C -0.197 176.342 176.600 -0.102 0.000 1.024 200 E CA -0.208 56.142 56.400 -0.083 0.000 0.903 200 E CB 1.318 30.970 29.700 -0.080 0.000 0.963 200 E HN -0.014 nan 8.360 nan 0.000 0.432 201 V N 3.276 123.114 119.914 -0.126 0.000 2.539 201 V HA 0.044 4.164 4.120 -0.000 0.000 0.294 201 V C 0.970 176.976 176.094 -0.148 0.000 0.994 201 V CA 1.042 63.256 62.300 -0.142 0.000 1.169 201 V CB -0.199 31.504 31.823 -0.200 0.000 0.898 201 V HN 0.694 nan 8.190 nan 0.000 0.471 202 G N 3.142 111.880 108.800 -0.105 0.000 3.013 202 G HA2 0.472 4.432 3.960 -0.000 0.000 0.278 202 G HA3 0.472 4.432 3.960 -0.000 0.000 0.278 202 G C -0.094 174.807 174.900 0.002 0.000 1.353 202 G CA -0.410 44.627 45.100 -0.105 0.000 1.043 202 G HN 0.356 nan 8.290 nan 0.000 0.523 203 Y N 0.841 121.109 120.300 -0.052 0.000 2.133 203 Y HA -0.085 4.465 4.550 -0.000 0.000 0.287 203 Y C 2.883 178.763 175.900 -0.034 0.000 1.134 203 Y CA 1.628 59.703 58.100 -0.041 0.000 1.133 203 Y CB -0.213 38.230 38.460 -0.028 0.000 0.987 203 Y HN 0.607 nan 8.280 nan 0.000 0.502 204 D N -0.664 119.827 120.400 0.151 0.000 2.357 204 D HA -0.197 4.443 4.640 -0.000 0.000 0.216 204 D C 0.888 177.207 176.300 0.031 0.000 0.973 204 D CA 1.359 55.400 54.000 0.069 0.000 0.912 204 D CB -0.427 40.400 40.800 0.044 0.000 0.900 204 D HN 0.398 nan 8.370 nan 0.000 0.501 205 D N 0.459 120.873 120.400 0.023 0.000 2.305 205 D HA 0.053 4.693 4.640 -0.000 0.000 0.206 205 D C 1.121 177.428 176.300 0.012 0.000 0.974 205 D CA 0.351 54.341 54.000 -0.016 0.000 0.871 205 D CB 0.447 41.219 40.800 -0.047 0.000 0.947 205 D HN 0.407 nan 8.370 nan 0.000 0.516 206 I N 1.099 121.694 120.570 0.040 0.000 2.342 206 I HA 0.643 4.813 4.170 -0.000 0.000 0.291 206 I C 0.881 177.019 176.117 0.035 0.000 1.010 206 I CA -0.404 60.922 61.300 0.043 0.000 1.308 206 I CB 1.057 39.081 38.000 0.040 0.000 1.400 206 I HN -0.033 nan 8.210 nan 0.000 0.488 207 G N 2.299 111.126 108.800 0.045 0.000 2.600 207 G HA2 0.682 4.641 3.960 -0.000 0.000 0.303 207 G HA3 0.682 4.641 3.960 -0.000 0.000 0.303 207 G C 0.877 175.789 174.900 0.020 0.000 1.253 207 G CA -0.235 44.884 45.100 0.032 0.000 0.974 207 G HN 2.388 nan 8.290 nan 0.000 0.483 208 G N -1.325 107.479 108.800 0.006 0.000 2.413 208 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.259 208 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.259 208 G C 0.759 175.658 174.900 -0.002 0.000 1.003 208 G CA 1.026 46.127 45.100 0.000 0.000 0.629 208 G HN 1.209 nan 8.290 nan 0.000 0.548 209 C N 1.958 121.257 119.300 -0.003 0.000 2.138 209 C HA 0.581 5.041 4.460 -0.000 0.000 0.398 209 C C 1.764 176.737 174.990 -0.028 0.000 1.029 209 C CA -0.435 58.578 59.018 -0.007 0.000 1.426 209 C CB -0.840 26.900 27.740 -0.000 0.000 1.652 209 C HN 0.571 nan 8.230 nan 0.000 0.486 210 R N 1.383 121.866 120.500 -0.027 0.000 2.023 210 R HA 0.068 4.408 4.340 -0.000 0.000 0.217 210 R C 2.072 178.345 176.300 -0.044 0.000 1.255 210 R CA 0.585 56.659 56.100 -0.043 0.000 0.981 210 R CB -0.102 30.179 30.300 -0.032 0.000 0.853 210 R HN 0.435 nan 8.270 nan 0.000 0.463 211 K N 1.268 121.653 120.400 -0.025 0.000 2.107 211 K HA -0.292 4.028 4.320 -0.000 0.000 0.211 211 K C 2.309 178.902 176.600 -0.010 0.000 1.049 211 K CA 2.318 58.596 56.287 -0.015 0.000 0.927 211 K CB -0.149 32.350 32.500 -0.001 0.000 0.714 211 K HN 0.412 nan 8.250 nan 0.000 0.452 212 Q N 0.625 120.422 119.800 -0.005 0.000 2.212 212 Q HA -0.042 4.298 4.340 -0.000 0.000 0.199 212 Q C 2.236 178.230 176.000 -0.011 0.000 0.950 212 Q CA 0.645 56.452 55.803 0.007 0.000 0.863 212 Q CB -0.344 28.408 28.738 0.022 0.000 0.944 212 Q HN 0.292 nan 8.270 nan 0.000 0.465 213 L N 1.236 122.436 121.223 -0.039 0.000 1.955 213 L HA -0.174 4.165 4.340 -0.000 0.000 0.213 213 L C 2.489 179.304 176.870 -0.091 0.000 1.072 213 L CA 1.800 56.593 54.840 -0.079 0.000 0.755 213 L CB -0.792 41.182 42.059 -0.141 0.000 0.888 213 L HN 0.394 nan 8.230 nan 0.000 0.432 214 A N -0.735 122.024 122.820 -0.102 0.000 2.171 214 A HA -0.322 3.998 4.320 -0.000 0.000 0.223 214 A C 2.012 179.577 177.584 -0.032 0.000 1.166 214 A CA 2.245 54.232 52.037 -0.083 0.000 0.668 214 A CB -0.556 18.408 19.000 -0.059 0.000 0.807 214 A HN 0.772 nan 8.150 nan 0.000 0.475 215 Q N -1.139 118.654 119.800 -0.012 0.000 2.165 215 Q HA 0.109 4.449 4.340 -0.000 0.000 0.197 215 Q C 2.009 178.026 176.000 0.028 0.000 0.952 215 Q CA 0.959 56.773 55.803 0.017 0.000 0.848 215 Q CB -0.140 28.616 28.738 0.030 0.000 0.931 215 Q HN 0.748 nan 8.270 nan 0.000 0.470 216 I N 1.326 121.909 120.570 0.022 0.000 2.208 216 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 216 I C 2.074 178.223 176.117 0.054 0.000 1.097 216 I CA 1.271 62.595 61.300 0.040 0.000 1.363 216 I CB -0.260 37.761 38.000 0.035 0.000 1.051 216 I HN 0.158 nan 8.210 nan 0.000 0.413 217 K N 1.022 121.444 120.400 0.036 0.000 2.044 217 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 217 K C 1.937 178.583 176.600 0.077 0.000 1.049 217 K CA 2.075 58.400 56.287 0.064 0.000 0.927 217 K CB -0.360 32.134 32.500 -0.011 0.000 0.713 217 K HN 0.569 nan 8.250 nan 0.000 0.443 218 E N 0.969 121.204 120.200 0.058 0.000 2.152 218 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 218 E C 2.081 178.732 176.600 0.084 0.000 0.983 218 E CA 0.707 57.151 56.400 0.073 0.000 0.818 218 E CB -0.299 29.436 29.700 0.059 0.000 0.758 218 E HN 0.263 nan 8.360 nan 0.000 0.467 219 M N 1.619 121.262 119.600 0.071 0.000 2.080 219 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 219 M C 2.644 178.984 176.300 0.066 0.000 1.068 219 M CA 2.244 57.584 55.300 0.067 0.000 1.109 219 M CB -0.415 32.219 32.600 0.057 0.000 1.342 219 M HN 0.239 nan 8.290 nan 0.000 0.405 220 V N -2.483 117.473 119.914 0.069 0.000 2.535 220 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 220 V C 1.923 178.074 176.094 0.095 0.000 1.045 220 V CA 1.683 64.022 62.300 0.064 0.000 1.058 220 V CB -0.942 30.920 31.823 0.065 0.000 0.689 220 V HN 0.358 nan 8.190 nan 0.000 0.461 221 E N 1.183 121.452 120.200 0.114 0.000 2.181 221 E HA -0.289 4.061 4.350 -0.000 0.000 0.225 221 E C 1.872 178.595 176.600 0.205 0.000 1.073 221 E CA 2.950 59.433 56.400 0.138 0.000 0.916 221 E CB -0.753 29.038 29.700 0.151 0.000 0.793 221 E HN 0.675 nan 8.360 nan 0.000 0.472 222 L N 0.003 121.388 121.223 0.271 0.000 1.961 222 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 222 L C -0.432 176.744 176.870 0.510 0.000 1.075 222 L CA 1.966 57.060 54.840 0.423 0.000 0.749 222 L CB -1.664 40.657 42.059 0.437 0.000 0.890 222 L HN 0.315 nan 8.230 nan 0.000 0.433 223 P HA -0.174 nan 4.420 nan 0.000 0.221 223 P C 1.690 179.021 177.300 0.051 0.000 1.150 223 P CA 1.342 64.503 63.100 0.102 0.000 0.800 223 P CB 0.171 31.557 31.700 -0.525 0.000 0.787 224 L N -0.806 120.460 121.223 0.072 0.000 2.249 224 L HA 0.185 4.524 4.340 -0.000 0.000 0.207 224 L C 2.455 179.360 176.870 0.059 0.000 1.090 224 L CA 1.446 56.326 54.840 0.066 0.000 0.802 224 L CB -0.392 41.697 42.059 0.049 0.000 0.947 224 L HN -0.292 nan 8.230 nan 0.000 0.453 225 R N -2.062 118.434 120.500 -0.007 0.000 2.335 225 R HA 0.211 4.551 4.340 -0.000 0.000 0.210 225 R C -0.218 175.867 176.300 -0.359 0.000 0.892 225 R CA 0.013 55.998 56.100 -0.192 0.000 1.048 225 R CB 0.377 30.495 30.300 -0.302 0.000 1.067 225 R HN 0.295 nan 8.270 nan 0.000 0.524 226 H N -0.304 118.863 119.070 0.162 0.000 2.448 226 H HA 0.205 4.761 4.556 -0.000 0.000 0.237 226 H C -2.195 173.270 175.328 0.228 0.000 1.391 226 H CA -2.144 53.990 56.048 0.143 0.000 1.477 226 H CB 1.447 31.261 29.762 0.086 0.000 1.520 226 H HN -0.047 nan 8.280 nan 0.000 0.502 227 P HA -0.166 nan 4.420 nan 0.000 0.211 227 P C 1.703 179.336 177.300 0.554 0.000 1.179 227 P CA 1.868 65.320 63.100 0.586 0.000 0.910 227 P CB 0.298 32.229 31.700 0.385 0.000 0.785 228 A N -0.724 122.266 122.820 0.284 0.000 1.958 228 A HA -0.237 4.082 4.320 -0.000 0.000 0.221 228 A C 2.191 179.846 177.584 0.118 0.000 1.178 228 A CA 1.805 53.947 52.037 0.176 0.000 0.642 228 A CB -1.861 17.197 19.000 0.096 0.000 0.816 228 A HN 0.170 nan 8.150 nan 0.000 0.453 229 L N -1.563 119.688 121.223 0.046 0.000 2.089 229 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 229 L C 1.423 178.101 176.870 -0.320 0.000 1.079 229 L CA 1.818 56.545 54.840 -0.189 0.000 0.758 229 L CB -0.526 41.329 42.059 -0.339 0.000 0.891 229 L HN 0.372 nan 8.230 nan 0.000 0.433 230 F N -0.803 119.192 119.950 0.075 0.000 2.696 230 F HA 0.118 4.645 4.527 -0.000 0.000 0.296 230 F C 1.917 177.768 175.800 0.085 0.000 1.181 230 F CA 0.201 58.225 58.000 0.041 0.000 1.411 230 F CB -0.400 38.567 39.000 -0.054 0.000 1.014 230 F HN 0.064 nan 8.300 nan 0.000 0.512 231 K N -0.252 120.248 120.400 0.167 0.000 2.362 231 K HA 0.311 4.631 4.320 -0.000 0.000 0.203 231 K C 1.757 178.398 176.600 0.068 0.000 1.198 231 K CA 0.577 56.947 56.287 0.137 0.000 0.908 231 K CB 0.306 32.883 32.500 0.129 0.000 1.236 231 K HN 0.070 nan 8.250 nan 0.000 0.487 232 A N 1.654 124.492 122.820 0.029 0.000 2.291 232 A HA 0.297 4.617 4.320 -0.000 0.000 0.220 232 A C 0.339 177.912 177.584 -0.018 0.000 1.262 232 A CA 0.124 52.163 52.037 0.002 0.000 0.867 232 A CB -0.337 18.657 19.000 -0.011 0.000 0.888 232 A HN 0.180 nan 8.150 nan 0.000 0.487 233 I N -2.233 118.331 120.570 -0.011 0.000 2.994 233 I HA 0.495 4.664 4.170 -0.000 0.000 0.306 233 I C 0.208 176.352 176.117 0.046 0.000 1.195 233 I CA -0.915 60.372 61.300 -0.021 0.000 1.001 233 I CB 2.541 40.466 38.000 -0.124 0.000 1.244 233 I HN 0.042 nan 8.210 nan 0.000 0.437 234 G N 3.356 112.185 108.800 0.047 0.000 4.138 234 G HA2 0.586 4.546 3.960 -0.000 0.000 0.335 234 G HA3 0.586 4.546 3.960 -0.000 0.000 0.335 234 G C -1.252 173.697 174.900 0.081 0.000 1.517 234 G CA -0.128 45.015 45.100 0.072 0.000 0.960 234 G HN 0.257 nan 8.290 nan 0.000 0.493 235 V N 0.813 120.811 119.914 0.139 0.000 2.925 235 V HA 0.409 4.529 4.120 -0.000 0.000 0.311 235 V C -0.388 175.805 176.094 0.165 0.000 1.104 235 V CA -1.128 61.258 62.300 0.143 0.000 0.954 235 V CB 2.653 34.565 31.823 0.148 0.000 1.022 235 V HN 0.482 nan 8.190 nan 0.000 0.427 236 K N 5.383 125.842 120.400 0.100 0.000 2.228 236 K HA 0.287 4.607 4.320 -0.000 0.000 0.284 236 K C -2.354 174.266 176.600 0.034 0.000 1.088 236 K CA -1.032 55.287 56.287 0.053 0.000 0.941 236 K CB 0.356 32.880 32.500 0.040 0.000 1.158 236 K HN 0.399 nan 8.250 nan 0.000 0.438 237 P HA 0.195 nan 4.420 nan 0.000 0.292 237 P C -2.449 174.754 177.300 -0.161 0.000 1.326 237 P CA -1.540 61.449 63.100 -0.185 0.000 0.787 237 P CB 0.586 31.855 31.700 -0.719 0.000 0.903 238 P HA -0.088 nan 4.420 nan 0.000 0.266 238 P C 0.482 177.720 177.300 -0.103 0.000 1.162 238 P CA 0.361 63.430 63.100 -0.053 0.000 0.758 238 P CB 1.364 33.059 31.700 -0.008 0.000 0.774 239 R N 1.630 122.072 120.500 -0.097 0.000 2.306 239 R HA 0.199 4.539 4.340 -0.000 0.000 0.183 239 R C 0.945 177.155 176.300 -0.150 0.000 0.937 239 R CA 0.496 56.519 56.100 -0.129 0.000 1.118 239 R CB 0.078 30.287 30.300 -0.152 0.000 1.224 239 R HN 0.603 nan 8.270 nan 0.000 0.597 240 G N 1.649 110.325 108.800 -0.207 0.000 2.325 240 G HA2 0.524 4.484 3.960 -0.000 0.000 0.298 240 G HA3 0.524 4.484 3.960 -0.000 0.000 0.298 240 G C -0.789 174.145 174.900 0.057 0.000 1.134 240 G CA -0.478 44.455 45.100 -0.278 0.000 0.876 240 G HN 0.173 nan 8.290 nan 0.000 0.452 241 I N 2.629 123.325 120.570 0.209 0.000 2.411 241 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 241 I C -0.769 175.495 176.117 0.245 0.000 1.012 241 I CA -0.688 60.731 61.300 0.198 0.000 1.119 241 I CB 1.902 39.981 38.000 0.131 0.000 1.261 241 I HN 0.203 nan 8.210 nan 0.000 0.448 242 L N 7.638 128.951 121.223 0.150 0.000 2.307 242 L HA 0.545 4.885 4.340 -0.000 0.000 0.282 242 L C -1.028 175.778 176.870 -0.107 0.000 1.051 242 L CA -0.341 54.471 54.840 -0.047 0.000 0.804 242 L CB 1.290 43.233 42.059 -0.194 0.000 1.197 242 L HN 0.344 nan 8.230 nan 0.000 0.431 243 L N 5.553 126.674 121.223 -0.169 0.000 2.349 243 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 243 L C -0.741 176.019 176.870 -0.183 0.000 0.996 243 L CA -0.290 54.502 54.840 -0.080 0.000 0.825 243 L CB 1.143 43.217 42.059 0.025 0.000 1.243 243 L HN 0.391 nan 8.230 nan 0.000 0.412 244 Y N 1.154 121.478 120.300 0.040 0.000 2.458 244 Y HA 0.866 5.416 4.550 -0.000 0.000 0.322 244 Y C 1.047 176.964 175.900 0.029 0.000 1.259 244 Y CA 0.038 58.153 58.100 0.026 0.000 1.302 244 Y CB 1.877 40.350 38.460 0.022 0.000 1.314 244 Y HN 0.709 nan 8.280 nan 0.000 0.509 245 G N 0.500 109.435 108.800 0.223 0.000 2.361 245 G HA2 0.185 4.145 3.960 -0.000 0.000 0.331 245 G HA3 0.185 4.145 3.960 -0.000 0.000 0.331 245 G C -3.415 171.538 174.900 0.088 0.000 1.324 245 G CA -1.272 43.903 45.100 0.126 0.000 0.984 245 G HN 0.422 nan 8.290 nan 0.000 0.586 246 P HA 0.534 nan 4.420 nan 0.000 0.292 246 P C -2.887 174.431 177.300 0.030 0.000 1.300 246 P CA -1.859 61.264 63.100 0.039 0.000 0.900 246 P CB 1.434 33.148 31.700 0.023 0.000 1.139 247 P HA 0.025 nan 4.420 nan 0.000 0.261 247 P C 1.015 178.323 177.300 0.013 0.000 1.165 247 P CA 1.775 64.885 63.100 0.016 0.000 0.759 247 P CB -0.366 31.337 31.700 0.006 0.000 0.772 248 G N 2.046 110.859 108.800 0.022 0.000 2.141 248 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 248 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 248 G C 1.000 175.915 174.900 0.026 0.000 0.982 248 G CA 0.396 45.507 45.100 0.019 0.000 0.662 248 G HN 0.607 nan 8.290 nan 0.000 0.527 249 T N -0.440 114.134 114.554 0.034 0.000 3.088 249 T HA 0.406 4.755 4.350 -0.000 0.000 0.259 249 T C 1.938 176.662 174.700 0.040 0.000 1.122 249 T CA 2.196 64.318 62.100 0.038 0.000 1.095 249 T CB -0.515 68.380 68.868 0.046 0.000 0.930 249 T HN 2.231 nan 8.240 nan 0.000 0.508 250 G N 1.625 110.451 108.800 0.044 0.000 2.207 250 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 250 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 250 G C 0.645 175.563 174.900 0.030 0.000 1.053 250 G CA 0.386 45.511 45.100 0.041 0.000 0.764 250 G HN 0.531 nan 8.290 nan 0.000 0.495 251 K N -0.548 119.883 120.400 0.052 0.000 1.985 251 K HA -0.067 4.253 4.320 -0.000 0.000 0.210 251 K C 2.563 179.142 176.600 -0.034 0.000 1.047 251 K CA 1.756 58.069 56.287 0.043 0.000 0.932 251 K CB -0.489 32.090 32.500 0.131 0.000 0.716 251 K HN 0.261 nan 8.250 nan 0.000 0.439 252 T N 2.686 117.289 114.554 0.082 0.000 2.620 252 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 252 T C 1.777 176.387 174.700 -0.150 0.000 1.044 252 T CA 1.490 63.621 62.100 0.051 0.000 1.161 252 T CB -0.371 68.605 68.868 0.179 0.000 0.862 252 T HN 0.190 nan 8.240 nan 0.000 0.438 253 L N 0.236 121.412 121.223 -0.080 0.000 1.970 253 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 253 L C 2.440 179.233 176.870 -0.129 0.000 1.071 253 L CA 1.716 56.496 54.840 -0.100 0.000 0.751 253 L CB -0.402 41.639 42.059 -0.029 0.000 0.889 253 L HN 0.330 nan 8.230 nan 0.000 0.432 254 I N -0.339 120.177 120.570 -0.089 0.000 2.315 254 I HA -0.325 3.845 4.170 -0.000 0.000 0.251 254 I C 2.556 178.601 176.117 -0.120 0.000 1.125 254 I CA 1.095 62.359 61.300 -0.060 0.000 1.392 254 I CB -0.435 37.543 38.000 -0.037 0.000 1.065 254 I HN 0.361 nan 8.210 nan 0.000 0.424 255 A N 0.529 123.181 122.820 -0.279 0.000 1.831 255 A HA -0.133 4.187 4.320 -0.000 0.000 0.213 255 A C 2.393 179.721 177.584 -0.426 0.000 1.223 255 A CA 0.933 52.724 52.037 -0.410 0.000 0.604 255 A CB -0.684 17.728 19.000 -0.980 0.000 0.878 255 A HN 0.199 nan 8.150 nan 0.000 0.450 256 R N -0.424 119.670 120.500 -0.678 0.000 2.185 256 R HA -0.215 4.125 4.340 -0.000 0.000 0.247 256 R C 2.074 178.021 176.300 -0.588 0.000 1.159 256 R CA 1.447 56.895 56.100 -1.087 0.000 0.988 256 R CB -0.314 29.454 30.300 -0.886 0.000 0.871 256 R HN 0.523 nan 8.270 nan 0.000 0.458 257 A N -0.528 122.088 122.820 -0.341 0.000 2.021 257 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 257 A C 2.050 179.479 177.584 -0.259 0.000 1.163 257 A CA 0.619 52.513 52.037 -0.238 0.000 0.676 257 A CB 0.142 19.087 19.000 -0.092 0.000 0.818 257 A HN 0.180 nan 8.150 nan 0.000 0.453 258 V N -0.388 119.457 119.914 -0.115 0.000 2.719 258 V HA -0.097 4.023 4.120 -0.000 0.000 0.252 258 V C 2.808 178.845 176.094 -0.096 0.000 1.065 258 V CA 1.485 63.772 62.300 -0.022 0.000 1.086 258 V CB -0.634 31.267 31.823 0.129 0.000 0.700 258 V HN 0.587 nan 8.190 nan 0.000 0.467 259 A N 0.370 123.129 122.820 -0.102 0.000 1.835 259 A HA -0.130 4.190 4.320 -0.000 0.000 0.213 259 A C 1.988 179.513 177.584 -0.098 0.000 1.210 259 A CA 1.349 53.369 52.037 -0.028 0.000 0.605 259 A CB -0.687 18.384 19.000 0.119 0.000 0.860 259 A HN 0.498 nan 8.150 nan 0.000 0.447 260 N N -0.254 118.336 118.700 -0.183 0.000 2.503 260 N HA -0.167 4.573 4.740 -0.000 0.000 0.189 260 N C 1.355 176.741 175.510 -0.207 0.000 1.048 260 N CA 1.461 54.408 53.050 -0.172 0.000 0.905 260 N CB -0.066 38.296 38.487 -0.208 0.000 0.951 260 N HN 0.629 nan 8.380 nan 0.000 0.446 261 E N -0.636 119.386 120.200 -0.297 0.000 2.364 261 E HA 0.044 4.394 4.350 -0.000 0.000 0.196 261 E C 0.726 177.180 176.600 -0.244 0.000 0.990 261 E CA 0.569 56.721 56.400 -0.413 0.000 0.886 261 E CB 0.277 29.400 29.700 -0.962 0.000 0.866 261 E HN 0.299 nan 8.360 nan 0.000 0.493 262 T N -3.358 111.111 114.554 -0.143 0.000 3.296 262 T HA 0.395 4.745 4.350 -0.000 0.000 0.285 262 T C 1.067 175.751 174.700 -0.026 0.000 1.014 262 T CA -0.080 61.981 62.100 -0.065 0.000 0.920 262 T CB 0.441 69.294 68.868 -0.026 0.000 1.143 262 T HN 0.165 nan 8.240 nan 0.000 0.522 263 G N 1.127 109.911 108.800 -0.026 0.000 2.283 263 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.280 263 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.280 263 G C 0.260 175.197 174.900 0.061 0.000 1.029 263 G CA -0.090 45.019 45.100 0.015 0.000 0.840 263 G HN 1.247 nan 8.290 nan 0.000 0.505 264 A N -0.489 122.375 122.820 0.073 0.000 2.303 264 A HA 0.738 5.058 4.320 -0.000 0.000 0.317 264 A C -0.056 177.644 177.584 0.193 0.000 1.149 264 A CA -0.681 51.433 52.037 0.128 0.000 0.822 264 A CB 0.811 19.876 19.000 0.108 0.000 1.131 264 A HN 1.340 nan 8.150 nan 0.000 0.493 265 F N 2.377 122.383 119.950 0.094 0.000 2.467 265 F HA 0.453 4.980 4.527 -0.000 0.000 0.362 265 F C -0.672 175.227 175.800 0.165 0.000 1.090 265 F CA -1.014 57.055 58.000 0.116 0.000 1.202 265 F CB 0.181 39.230 39.000 0.083 0.000 1.113 265 F HN 0.411 nan 8.300 nan 0.000 0.541 266 F N 8.957 128.502 119.950 -0.676 0.000 2.361 266 F HA 0.369 4.896 4.527 -0.000 0.000 0.364 266 F C -1.599 173.713 175.800 -0.814 0.000 1.120 266 F CA -1.021 56.640 58.000 -0.565 0.000 1.102 266 F CB 0.300 39.129 39.000 -0.285 0.000 1.183 266 F HN 0.394 nan 8.300 nan 0.000 0.476 267 F N 8.337 127.526 119.950 -1.269 0.000 2.375 267 F HA 0.494 5.021 4.527 -0.000 0.000 0.361 267 F C -1.420 173.923 175.800 -0.762 0.000 1.117 267 F CA -1.083 56.396 58.000 -0.869 0.000 1.037 267 F CB 0.761 39.460 39.000 -0.502 0.000 1.192 267 F HN 0.387 nan 8.300 nan 0.000 0.452 268 L N 7.024 127.546 121.223 -1.168 0.000 2.375 268 L HA 0.521 4.861 4.340 -0.000 0.000 0.271 268 L C -0.797 175.688 176.870 -0.642 0.000 1.107 268 L CA -0.145 54.268 54.840 -0.712 0.000 0.806 268 L CB 0.907 42.779 42.059 -0.312 0.000 1.146 268 L HN 0.566 nan 8.230 nan 0.000 0.447 269 I N 4.895 125.244 120.570 -0.367 0.000 2.623 269 I HA 0.206 4.376 4.170 -0.000 0.000 0.275 269 I C -0.300 175.679 176.117 -0.230 0.000 1.108 269 I CA -0.446 60.714 61.300 -0.233 0.000 1.120 269 I CB 0.765 38.676 38.000 -0.148 0.000 1.249 269 I HN 0.565 nan 8.210 nan 0.000 0.500 270 N N 4.171 122.760 118.700 -0.186 0.000 2.406 270 N HA 0.038 4.778 4.740 -0.000 0.000 0.265 270 N C 1.254 176.691 175.510 -0.122 0.000 1.203 270 N CA 0.468 53.426 53.050 -0.153 0.000 0.945 270 N CB 1.588 40.011 38.487 -0.107 0.000 1.165 270 N HN 0.770 nan 8.380 nan 0.000 0.485 271 G N 5.175 113.891 108.800 -0.141 0.000 2.556 271 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 271 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 271 G C -0.893 173.965 174.900 -0.070 0.000 1.156 271 G CA 0.566 45.603 45.100 -0.104 0.000 0.766 271 G HN 0.543 nan 8.290 nan 0.000 0.583 272 P HA -0.013 nan 4.420 nan 0.000 0.217 272 P C 1.582 178.859 177.300 -0.038 0.000 1.150 272 P CA 1.491 64.563 63.100 -0.045 0.000 0.832 272 P CB 0.071 31.746 31.700 -0.041 0.000 0.787 273 E N 0.337 120.510 120.200 -0.044 0.000 2.038 273 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 273 E C 1.719 178.305 176.600 -0.024 0.000 1.000 273 E CA 1.519 57.898 56.400 -0.035 0.000 0.803 273 E CB -1.124 28.548 29.700 -0.047 0.000 0.750 273 E HN 0.017 nan 8.360 nan 0.000 0.448 274 I N 0.584 121.138 120.570 -0.027 0.000 2.850 274 I HA -0.144 4.026 4.170 -0.000 0.000 0.266 274 I C 1.606 177.719 176.117 -0.008 0.000 1.257 274 I CA 0.993 62.287 61.300 -0.010 0.000 1.465 274 I CB -0.875 37.120 38.000 -0.009 0.000 1.091 274 I HN 0.348 nan 8.210 nan 0.000 0.467 275 M N -0.211 119.380 119.600 -0.016 0.000 2.534 275 M HA 0.065 4.544 4.480 -0.000 0.000 0.263 275 M C 1.961 178.253 176.300 -0.013 0.000 1.152 275 M CA 0.637 55.928 55.300 -0.015 0.000 1.145 275 M CB -0.981 31.606 32.600 -0.021 0.000 1.333 275 M HN 0.242 nan 8.290 nan 0.000 0.477 276 S N 0.128 115.820 115.700 -0.014 0.000 2.786 276 S HA 0.119 4.589 4.470 -0.000 0.000 0.223 276 S C 0.475 175.071 174.600 -0.007 0.000 0.956 276 S CA 0.017 58.209 58.200 -0.012 0.000 0.961 276 S CB -0.306 62.886 63.200 -0.013 0.000 0.784 276 S HN 0.101 nan 8.310 nan 0.000 0.519 277 K N 1.677 122.075 120.400 -0.003 0.000 2.221 277 K HA 0.446 4.766 4.320 -0.000 0.000 0.258 277 K C 0.042 176.642 176.600 0.001 0.000 0.944 277 K CA -0.904 55.384 56.287 0.001 0.000 0.823 277 K CB 1.629 34.133 32.500 0.007 0.000 1.113 277 K HN 0.238 nan 8.250 nan 0.000 0.431 278 L N 1.473 122.697 121.223 0.002 0.000 2.749 278 L HA -0.196 4.143 4.340 -0.000 0.000 0.313 278 L C 0.758 177.629 176.870 0.001 0.000 1.251 278 L CA 0.126 54.967 54.840 0.001 0.000 0.867 278 L CB -0.225 41.836 42.059 0.003 0.000 1.122 278 L HN 0.670 nan 8.230 nan 0.000 0.513 279 A N 3.287 126.106 122.820 -0.001 0.000 2.594 279 A HA 0.405 4.725 4.320 -0.000 0.000 0.291 279 A C 1.146 178.732 177.584 0.003 0.000 1.374 279 A CA 0.764 52.800 52.037 -0.001 0.000 1.025 279 A CB -0.836 18.162 19.000 -0.004 0.000 1.072 279 A HN 1.121 nan 8.150 nan 0.000 0.555 280 G N 1.333 110.136 108.800 0.006 0.000 3.435 280 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.197 280 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.197 280 G C 1.099 176.007 174.900 0.012 0.000 1.497 280 G CA 0.445 45.550 45.100 0.009 0.000 1.043 280 G HN 0.637 nan 8.290 nan 0.000 0.466 281 E N 1.124 121.331 120.200 0.012 0.000 2.219 281 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 281 E C 2.334 178.947 176.600 0.020 0.000 0.998 281 E CA 1.907 58.316 56.400 0.015 0.000 0.818 281 E CB -0.226 29.482 29.700 0.013 0.000 0.741 281 E HN 0.451 nan 8.360 nan 0.000 0.477 282 S N 0.331 116.042 115.700 0.018 0.000 2.389 282 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 282 S C 1.626 176.246 174.600 0.033 0.000 1.048 282 S CA 2.000 60.213 58.200 0.022 0.000 1.117 282 S CB -0.288 62.921 63.200 0.015 0.000 1.020 282 S HN 0.325 nan 8.310 nan 0.000 0.430 283 E N 1.045 121.264 120.200 0.031 0.000 2.026 283 E HA -0.129 4.221 4.350 -0.000 0.000 0.206 283 E C 2.366 178.994 176.600 0.046 0.000 1.028 283 E CA 1.467 57.891 56.400 0.039 0.000 0.845 283 E CB -1.026 28.690 29.700 0.027 0.000 0.772 283 E HN 0.485 nan 8.360 nan 0.000 0.462 284 S N 0.057 115.777 115.700 0.034 0.000 2.414 284 S HA -0.381 4.089 4.470 -0.000 0.000 0.241 284 S C 1.698 176.324 174.600 0.043 0.000 1.079 284 S CA 2.162 60.382 58.200 0.033 0.000 1.087 284 S CB -0.610 62.604 63.200 0.024 0.000 0.927 284 S HN 0.352 nan 8.310 nan 0.000 0.456 285 N N 0.329 119.058 118.700 0.049 0.000 2.006 285 N HA -0.081 4.659 4.740 -0.000 0.000 0.196 285 N C 1.877 177.434 175.510 0.078 0.000 1.057 285 N CA 1.681 54.768 53.050 0.061 0.000 0.853 285 N CB -0.404 38.121 38.487 0.062 0.000 1.051 285 N HN 0.308 nan 8.380 nan 0.000 0.423 286 L N 1.211 122.496 121.223 0.104 0.000 2.103 286 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 286 L C 2.514 179.539 176.870 0.257 0.000 1.080 286 L CA 1.394 56.342 54.840 0.179 0.000 0.764 286 L CB -0.310 41.874 42.059 0.210 0.000 0.890 286 L HN 0.220 nan 8.230 nan 0.000 0.435 287 R N -0.471 120.127 120.500 0.163 0.000 2.062 287 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 287 R C 2.350 178.704 176.300 0.090 0.000 1.136 287 R CA 1.414 57.600 56.100 0.143 0.000 0.948 287 R CB -0.357 29.983 30.300 0.067 0.000 0.845 287 R HN 0.253 nan 8.270 nan 0.000 0.430 288 K N 0.790 121.201 120.400 0.019 0.000 2.097 288 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 288 K C 2.117 178.590 176.600 -0.210 0.000 1.049 288 K CA 1.229 57.479 56.287 -0.062 0.000 0.933 288 K CB -0.121 32.351 32.500 -0.046 0.000 0.717 288 K HN 0.171 nan 8.250 nan 0.000 0.442 289 A N 0.841 123.533 122.820 -0.212 0.000 1.881 289 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 289 A C 1.915 179.131 177.584 -0.613 0.000 1.215 289 A CA 1.936 53.667 52.037 -0.510 0.000 0.648 289 A CB -0.991 17.874 19.000 -0.224 0.000 0.832 289 A HN 0.388 nan 8.150 nan 0.000 0.455 290 F N -0.774 119.072 119.950 -0.174 0.000 2.456 290 F HA 0.059 4.585 4.527 -0.000 0.000 0.298 290 F C 2.216 177.941 175.800 -0.124 0.000 1.104 290 F CA 1.153 59.081 58.000 -0.120 0.000 1.435 290 F CB -0.101 38.864 39.000 -0.059 0.000 1.078 290 F HN 0.366 nan 8.300 nan 0.000 0.546 291 E N 0.356 120.565 120.200 0.014 0.000 2.418 291 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 291 E C 1.811 178.358 176.600 -0.088 0.000 1.026 291 E CA 0.728 57.115 56.400 -0.023 0.000 0.862 291 E CB 0.082 29.768 29.700 -0.023 0.000 0.799 291 E HN 0.520 nan 8.360 nan 0.000 0.518 292 E N -1.320 118.764 120.200 -0.193 0.000 2.434 292 E HA 0.126 4.476 4.350 -0.000 0.000 0.207 292 E C 1.509 178.054 176.600 -0.091 0.000 0.929 292 E CA 0.477 56.761 56.400 -0.193 0.000 1.001 292 E CB 0.308 29.815 29.700 -0.322 0.000 1.016 292 E HN 0.236 nan 8.360 nan 0.000 0.502 293 A N 0.736 123.487 122.820 -0.115 0.000 2.072 293 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 293 A C 1.612 179.251 177.584 0.093 0.000 1.156 293 A CA 0.563 52.635 52.037 0.059 0.000 0.701 293 A CB -0.095 18.864 19.000 -0.067 0.000 0.816 293 A HN 0.160 nan 8.150 nan 0.000 0.458 294 E N -0.410 119.819 120.200 0.049 0.000 2.489 294 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 294 E C 1.421 178.035 176.600 0.024 0.000 1.057 294 E CA 0.168 56.604 56.400 0.060 0.000 0.866 294 E CB 0.156 29.892 29.700 0.060 0.000 0.916 294 E HN 0.567 nan 8.360 nan 0.000 0.500 295 K N 0.514 120.912 120.400 -0.003 0.000 2.054 295 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 295 K C 1.335 177.906 176.600 -0.047 0.000 1.031 295 K CA 0.878 57.138 56.287 -0.045 0.000 0.952 295 K CB 0.029 32.471 32.500 -0.095 0.000 0.775 295 K HN -0.053 nan 8.250 nan 0.000 0.447 296 N N 1.236 119.891 118.700 -0.075 0.000 2.575 296 N HA 0.042 4.782 4.740 -0.000 0.000 0.192 296 N C -0.291 175.262 175.510 0.072 0.000 1.200 296 N CA 0.166 53.176 53.050 -0.066 0.000 0.897 296 N CB -0.148 38.169 38.487 -0.282 0.000 0.990 296 N HN 0.197 nan 8.380 nan 0.000 0.449 297 A N 1.536 124.412 122.820 0.093 0.000 2.609 297 A HA 0.093 4.413 4.320 -0.000 0.000 0.232 297 A C -1.740 175.900 177.584 0.094 0.000 1.041 297 A CA -0.666 51.445 52.037 0.123 0.000 0.753 297 A CB -0.448 18.621 19.000 0.115 0.000 0.966 297 A HN 0.105 nan 8.150 nan 0.000 0.510 298 P HA 0.340 nan 4.420 nan 0.000 0.264 298 P C -0.352 177.051 177.300 0.173 0.000 1.179 298 P CA 1.075 64.284 63.100 0.183 0.000 0.763 298 P CB 0.588 32.387 31.700 0.164 0.000 0.806 299 A N 2.842 125.756 122.820 0.156 0.000 2.594 299 A HA 0.603 4.923 4.320 -0.000 0.000 0.296 299 A C -1.310 176.323 177.584 0.081 0.000 1.061 299 A CA -0.513 51.614 52.037 0.150 0.000 0.689 299 A CB 0.935 20.072 19.000 0.229 0.000 1.280 299 A HN 0.407 nan 8.150 nan 0.000 0.406 300 I N 2.559 123.148 120.570 0.032 0.000 2.354 300 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 300 I C -0.637 175.399 176.117 -0.134 0.000 1.007 300 I CA -0.281 61.028 61.300 0.014 0.000 1.167 300 I CB 1.334 39.401 38.000 0.111 0.000 1.320 300 I HN 0.499 nan 8.210 nan 0.000 0.458 301 I N 6.694 127.220 120.570 -0.074 0.000 2.291 301 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 301 I C -0.585 175.532 176.117 -0.001 0.000 1.064 301 I CA -0.312 60.904 61.300 -0.140 0.000 1.269 301 I CB 0.559 38.418 38.000 -0.234 0.000 1.418 301 I HN 0.412 nan 8.210 nan 0.000 0.485 302 F N 8.749 128.512 119.950 -0.312 0.000 2.334 302 F HA 0.483 5.010 4.527 -0.000 0.000 0.367 302 F C -0.081 175.654 175.800 -0.108 0.000 1.115 302 F CA -1.177 56.739 58.000 -0.140 0.000 1.116 302 F CB 0.503 39.474 39.000 -0.048 0.000 1.230 302 F HN 0.217 nan 8.300 nan 0.000 0.484 303 I N 5.655 125.990 120.570 -0.393 0.000 2.322 303 I HA 0.098 4.268 4.170 -0.000 0.000 0.292 303 I C -0.226 175.385 176.117 -0.843 0.000 1.060 303 I CA -0.297 60.720 61.300 -0.470 0.000 1.309 303 I CB 0.597 38.490 38.000 -0.178 0.000 1.415 303 I HN 0.501 nan 8.210 nan 0.000 0.492 304 D N 5.495 125.407 120.400 -0.814 0.000 2.225 304 D HA 0.121 4.761 4.640 -0.000 0.000 0.249 304 D C 0.062 176.165 176.300 -0.329 0.000 1.052 304 D CA -0.036 53.568 54.000 -0.660 0.000 0.909 304 D CB 0.802 41.331 40.800 -0.452 0.000 1.186 304 D HN 0.493 nan 8.370 nan 0.000 0.431 305 E N 1.051 121.119 120.200 -0.221 0.000 2.238 305 E HA -0.256 4.094 4.350 -0.000 0.000 0.219 305 E C 0.774 177.286 176.600 -0.147 0.000 1.275 305 E CA -0.249 56.066 56.400 -0.142 0.000 0.714 305 E CB -0.626 29.014 29.700 -0.100 0.000 1.154 305 E HN 0.471 nan 8.360 nan 0.000 0.363 306 L N 1.197 122.308 121.223 -0.186 0.000 2.012 306 L HA -0.217 4.122 4.340 -0.000 0.000 0.210 306 L C 1.864 178.653 176.870 -0.136 0.000 1.073 306 L CA 2.850 57.580 54.840 -0.183 0.000 0.748 306 L CB -0.365 41.536 42.059 -0.263 0.000 0.891 306 L HN 0.376 nan 8.230 nan 0.000 0.431 307 D N -0.645 119.680 120.400 -0.125 0.000 2.397 307 D HA -0.225 4.415 4.640 -0.000 0.000 0.219 307 D C 1.684 177.945 176.300 -0.063 0.000 0.975 307 D CA 1.150 55.098 54.000 -0.087 0.000 0.940 307 D CB -0.264 40.494 40.800 -0.070 0.000 0.884 307 D HN 0.481 nan 8.370 nan 0.000 0.505 308 A N -0.255 122.525 122.820 -0.068 0.000 1.997 308 A HA 0.233 4.553 4.320 -0.000 0.000 0.212 308 A C 2.111 179.668 177.584 -0.046 0.000 1.178 308 A CA 0.218 52.224 52.037 -0.051 0.000 0.698 308 A CB -0.132 18.836 19.000 -0.053 0.000 0.842 308 A HN 0.270 nan 8.150 nan 0.000 0.458 309 I N -0.881 119.655 120.570 -0.056 0.000 2.512 309 I HA 0.085 4.255 4.170 -0.000 0.000 0.247 309 I C 1.461 177.558 176.117 -0.034 0.000 1.094 309 I CA 0.940 62.216 61.300 -0.041 0.000 1.427 309 I CB 0.102 38.077 38.000 -0.042 0.000 1.149 309 I HN 0.224 nan 8.210 nan 0.000 0.438 310 A N 2.326 125.115 122.820 -0.052 0.000 3.047 310 A HA 0.429 4.749 4.320 -0.000 0.000 0.337 310 A C -2.336 175.218 177.584 -0.050 0.000 1.143 310 A CA -0.931 51.080 52.037 -0.044 0.000 0.905 310 A CB -0.283 18.688 19.000 -0.048 0.000 1.088 310 A HN 0.076 nan 8.150 nan 0.000 0.488 311 P HA 0.203 nan 4.420 nan 0.000 0.253 311 P C 0.150 177.444 177.300 -0.010 0.000 1.872 311 P CA -0.261 62.823 63.100 -0.027 0.000 1.148 311 P CB 0.177 31.862 31.700 -0.025 0.000 1.753 312 K N 0.625 121.022 120.400 -0.006 0.000 2.678 312 K HA -0.087 4.233 4.320 -0.000 0.000 0.194 312 K C 0.975 177.579 176.600 0.007 0.000 1.031 312 K CA 0.225 56.515 56.287 0.005 0.000 0.961 312 K CB -0.026 32.478 32.500 0.007 0.000 0.793 312 K HN 0.150 nan 8.250 nan 0.000 0.492 313 R N 0.350 120.852 120.500 0.003 0.000 3.038 313 R HA -0.038 4.302 4.340 -0.000 0.000 0.263 313 R C 0.915 177.222 176.300 0.013 0.000 1.208 313 R CA 0.076 56.179 56.100 0.005 0.000 1.116 313 R CB -0.026 30.273 30.300 -0.001 0.000 1.045 313 R HN 0.061 nan 8.270 nan 0.000 0.549 314 E N 0.744 120.952 120.200 0.014 0.000 2.516 314 E HA -0.157 4.193 4.350 -0.000 0.000 0.206 314 E C 0.866 177.485 176.600 0.031 0.000 1.107 314 E CA 1.054 57.465 56.400 0.019 0.000 0.903 314 E CB -0.123 29.588 29.700 0.019 0.000 0.838 314 E HN 0.180 nan 8.360 nan 0.000 0.574 315 K N -0.547 119.873 120.400 0.032 0.000 2.358 315 K HA 0.053 4.373 4.320 -0.000 0.000 0.197 315 K C 0.185 176.820 176.600 0.059 0.000 1.025 315 K CA 0.127 56.441 56.287 0.044 0.000 1.104 315 K CB 0.351 32.868 32.500 0.027 0.000 0.855 315 K HN -0.078 nan 8.250 nan 0.000 0.531 316 T N 0.741 115.328 114.554 0.055 0.000 3.474 316 T HA 0.005 4.355 4.350 -0.000 0.000 0.270 316 T C -1.192 173.579 174.700 0.119 0.000 1.079 316 T CA -0.288 61.849 62.100 0.062 0.000 1.110 316 T CB -0.671 68.219 68.868 0.038 0.000 1.087 316 T HN 0.380 nan 8.240 nan 0.000 0.784 317 H N 2.389 121.460 119.070 0.001 0.000 2.675 317 H HA 0.567 5.123 4.556 -0.000 0.000 0.258 317 H C -0.235 175.094 175.328 0.001 0.000 1.271 317 H CA -0.823 55.226 56.048 0.002 0.000 1.462 317 H CB 0.077 29.841 29.762 0.003 0.000 1.467 317 H HN 0.740 nan 8.280 nan 0.000 0.501 318 G N 2.940 111.832 108.800 0.153 0.000 2.716 318 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.299 318 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.299 318 G C -0.044 174.884 174.900 0.047 0.000 1.450 318 G CA -0.587 44.532 45.100 0.032 0.000 0.968 318 G HN 0.465 nan 8.290 nan 0.000 0.566 319 E N 0.765 120.984 120.200 0.030 0.000 2.427 319 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 319 E C 1.852 178.460 176.600 0.014 0.000 1.028 319 E CA 0.671 57.087 56.400 0.027 0.000 0.864 319 E CB 0.731 30.445 29.700 0.023 0.000 0.813 319 E HN 0.302 nan 8.360 nan 0.000 0.514 320 V N 0.554 120.470 119.914 0.004 0.000 3.539 320 V HA -0.000 4.120 4.120 -0.000 0.000 0.262 320 V C 1.766 177.861 176.094 0.001 0.000 1.381 320 V CA 0.206 62.506 62.300 0.001 0.000 1.060 320 V CB 0.369 32.188 31.823 -0.006 0.000 0.842 320 V HN 0.009 nan 8.190 nan 0.000 0.445 321 E N 0.981 121.180 120.200 -0.001 0.000 2.208 321 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 321 E C 2.118 178.724 176.600 0.010 0.000 0.988 321 E CA 0.843 57.243 56.400 0.000 0.000 0.828 321 E CB 0.010 29.708 29.700 -0.003 0.000 0.763 321 E HN 0.525 nan 8.360 nan 0.000 0.478 322 R N 0.984 121.495 120.500 0.017 0.000 2.100 322 R HA 0.026 4.366 4.340 -0.000 0.000 0.220 322 R C 2.375 178.684 176.300 0.015 0.000 1.091 322 R CA 0.697 56.809 56.100 0.019 0.000 0.986 322 R CB 0.061 30.376 30.300 0.026 0.000 0.888 322 R HN -0.040 nan 8.270 nan 0.000 0.444 323 R N 0.527 121.036 120.500 0.014 0.000 2.092 323 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 323 R C 1.995 178.304 176.300 0.014 0.000 1.119 323 R CA 1.371 57.478 56.100 0.012 0.000 0.970 323 R CB -0.191 30.116 30.300 0.011 0.000 0.864 323 R HN 0.257 nan 8.270 nan 0.000 0.440 324 I N 0.006 120.584 120.570 0.015 0.000 2.113 324 I HA -0.274 3.896 4.170 -0.000 0.000 0.238 324 I C 2.283 178.415 176.117 0.025 0.000 1.070 324 I CA 1.136 62.448 61.300 0.020 0.000 1.332 324 I CB -0.389 37.620 38.000 0.015 0.000 1.044 324 I HN 0.012 nan 8.210 nan 0.000 0.402 325 V N 0.618 120.544 119.914 0.020 0.000 2.250 325 V HA -0.358 3.762 4.120 -0.000 0.000 0.250 325 V C 2.568 178.677 176.094 0.025 0.000 1.060 325 V CA 2.382 64.696 62.300 0.023 0.000 1.030 325 V CB -0.735 31.098 31.823 0.016 0.000 0.643 325 V HN 0.407 nan 8.190 nan 0.000 0.445 326 S N -0.735 114.976 115.700 0.017 0.000 2.392 326 S HA -0.386 4.084 4.470 -0.000 0.000 0.225 326 S C 1.994 176.597 174.600 0.006 0.000 1.041 326 S CA 2.104 60.311 58.200 0.010 0.000 1.100 326 S CB -0.572 62.633 63.200 0.007 0.000 1.029 326 S HN 0.637 nan 8.310 nan 0.000 0.424 327 Q N 0.944 120.750 119.800 0.009 0.000 2.268 327 Q HA -0.186 4.154 4.340 -0.000 0.000 0.213 327 Q C 1.869 177.870 176.000 0.002 0.000 0.995 327 Q CA 1.765 57.572 55.803 0.006 0.000 0.901 327 Q CB -0.527 28.224 28.738 0.022 0.000 0.921 327 Q HN 0.661 nan 8.270 nan 0.000 0.421 328 L N -1.611 119.629 121.223 0.029 0.000 2.162 328 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 328 L C 1.820 178.688 176.870 -0.004 0.000 1.086 328 L CA 0.715 55.586 54.840 0.050 0.000 0.778 328 L CB -0.060 42.075 42.059 0.125 0.000 0.928 328 L HN 0.275 nan 8.230 nan 0.000 0.446 329 L N -0.367 120.863 121.223 0.012 0.000 2.291 329 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 329 L C 2.200 179.037 176.870 -0.056 0.000 1.120 329 L CA 1.027 55.866 54.840 -0.001 0.000 0.799 329 L CB -0.593 41.477 42.059 0.017 0.000 0.925 329 L HN 0.251 nan 8.230 nan 0.000 0.446 330 T N -0.299 114.214 114.554 -0.068 0.000 3.055 330 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 330 T C 1.813 176.420 174.700 -0.154 0.000 1.111 330 T CA 0.845 62.894 62.100 -0.085 0.000 1.118 330 T CB 0.128 68.960 68.868 -0.060 0.000 0.909 330 T HN 0.210 nan 8.240 nan 0.000 0.501 331 L N -0.345 120.731 121.223 -0.245 0.000 2.425 331 L HA 0.265 4.605 4.340 -0.000 0.000 0.215 331 L C 1.874 178.444 176.870 -0.500 0.000 1.065 331 L CA 0.138 54.697 54.840 -0.468 0.000 0.842 331 L CB -0.122 41.453 42.059 -0.806 0.000 1.033 331 L HN 0.159 nan 8.230 nan 0.000 0.474 332 M N 0.054 119.445 119.600 -0.348 0.000 2.776 332 M HA -0.075 4.405 4.480 -0.000 0.000 0.233 332 M C 0.342 176.513 176.300 -0.215 0.000 1.078 332 M CA 1.145 56.279 55.300 -0.278 0.000 1.058 332 M CB -0.999 31.505 32.600 -0.159 0.000 1.611 332 M HN 0.222 nan 8.290 nan 0.000 0.541 333 D N -1.898 118.390 120.400 -0.187 0.000 2.409 333 D HA 0.141 4.781 4.640 -0.000 0.000 0.301 333 D C 1.802 178.027 176.300 -0.124 0.000 1.095 333 D CA 0.721 54.646 54.000 -0.125 0.000 0.929 333 D CB -0.622 40.127 40.800 -0.084 0.000 1.623 333 D HN 0.309 nan 8.370 nan 0.000 0.506 334 G N 1.606 110.315 108.800 -0.152 0.000 2.517 334 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.222 334 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.222 334 G C 0.851 175.684 174.900 -0.111 0.000 1.109 334 G CA 0.463 45.484 45.100 -0.130 0.000 0.746 334 G HN 0.175 nan 8.290 nan 0.000 0.576 335 L N 0.752 121.893 121.223 -0.136 0.000 2.410 335 L HA 0.250 4.590 4.340 -0.000 0.000 0.273 335 L C 0.310 177.148 176.870 -0.055 0.000 1.144 335 L CA -0.160 54.631 54.840 -0.082 0.000 0.863 335 L CB 0.979 42.990 42.059 -0.080 0.000 1.140 335 L HN 0.118 nan 8.230 nan 0.000 0.463 336 K N 2.115 122.502 120.400 -0.021 0.000 2.106 336 K HA 0.217 4.537 4.320 -0.000 0.000 0.246 336 K C 0.585 177.181 176.600 -0.006 0.000 0.987 336 K CA -0.950 55.332 56.287 -0.009 0.000 0.904 336 K CB 1.069 33.577 32.500 0.013 0.000 1.071 336 K HN 0.389 nan 8.250 nan 0.000 0.453 337 Q N 1.135 120.927 119.800 -0.012 0.000 2.112 337 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 337 Q C 1.613 177.616 176.000 0.005 0.000 0.987 337 Q CA 1.773 57.546 55.803 -0.049 0.000 0.858 337 Q CB -0.348 28.388 28.738 -0.004 0.000 0.905 337 Q HN 0.475 nan 8.270 nan 0.000 0.420 338 R N 0.456 121.025 120.500 0.115 0.000 2.237 338 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 338 R C 2.172 178.688 176.300 0.360 0.000 1.080 338 R CA 0.734 56.991 56.100 0.262 0.000 0.995 338 R CB -0.363 30.033 30.300 0.159 0.000 0.875 338 R HN 0.248 nan 8.270 nan 0.000 0.462 339 A N 0.618 123.558 122.820 0.199 0.000 1.972 339 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 339 A C 0.013 177.756 177.584 0.265 0.000 1.169 339 A CA 1.336 53.472 52.037 0.165 0.000 0.635 339 A CB -0.322 18.728 19.000 0.082 0.000 0.810 339 A HN 0.532 nan 8.150 nan 0.000 0.446 340 H N -2.650 116.425 119.070 0.008 0.000 2.882 340 H HA -0.090 4.466 4.556 -0.000 0.000 0.314 340 H C -0.874 174.467 175.328 0.022 0.000 1.270 340 H CA 0.327 56.383 56.048 0.012 0.000 1.165 340 H CB -2.368 27.422 29.762 0.046 0.000 1.436 340 H HN 0.317 nan 8.280 nan 0.000 0.431 341 V N 0.470 120.421 119.914 0.063 0.000 2.789 341 V HA 0.505 4.625 4.120 -0.000 0.000 0.311 341 V C 0.617 176.719 176.094 0.013 0.000 1.073 341 V CA -0.764 61.576 62.300 0.067 0.000 0.921 341 V CB 2.969 34.858 31.823 0.111 0.000 1.009 341 V HN 0.230 nan 8.190 nan 0.000 0.426 342 I N 3.529 124.115 120.570 0.026 0.000 2.420 342 I HA 0.381 4.551 4.170 -0.000 0.000 0.282 342 I C -0.533 175.617 176.117 0.056 0.000 1.019 342 I CA -0.704 60.602 61.300 0.011 0.000 1.130 342 I CB 1.932 39.940 38.000 0.012 0.000 1.262 342 I HN 0.335 nan 8.210 nan 0.000 0.454 343 V N 7.400 127.344 119.914 0.050 0.000 2.498 343 V HA 0.342 4.462 4.120 -0.000 0.000 0.279 343 V C 0.290 176.533 176.094 0.248 0.000 1.048 343 V CA -0.047 62.335 62.300 0.136 0.000 0.967 343 V CB 1.271 33.160 31.823 0.110 0.000 0.988 343 V HN 0.644 nan 8.190 nan 0.000 0.473 344 M N 4.527 124.339 119.600 0.354 0.000 2.243 344 M HA 0.697 5.177 4.480 -0.000 0.000 0.324 344 M C -0.287 176.335 176.300 0.537 0.000 1.031 344 M CA -0.314 55.244 55.300 0.430 0.000 0.949 344 M CB 2.036 34.828 32.600 0.319 0.000 1.615 344 M HN 0.709 nan 8.290 nan 0.000 0.430 345 A N 2.596 125.625 122.820 0.348 0.000 2.340 345 A HA 0.967 5.287 4.320 -0.000 0.000 0.331 345 A C -0.954 176.660 177.584 0.050 0.000 1.140 345 A CA -0.673 51.374 52.037 0.016 0.000 0.801 345 A CB 1.318 20.007 19.000 -0.518 0.000 1.234 345 A HN 0.855 nan 8.150 nan 0.000 0.469 346 A N 1.314 124.112 122.820 -0.038 0.000 2.340 346 A HA 0.703 5.023 4.320 -0.000 0.000 0.297 346 A C -0.178 177.333 177.584 -0.121 0.000 1.195 346 A CA -0.121 51.920 52.037 0.007 0.000 0.769 346 A CB 0.884 20.012 19.000 0.213 0.000 1.163 346 A HN 1.091 nan 8.150 nan 0.000 0.472 347 T N 0.330 114.779 114.554 -0.176 0.000 2.883 347 T HA 0.395 4.745 4.350 -0.000 0.000 0.284 347 T C 0.926 175.584 174.700 -0.069 0.000 1.041 347 T CA -0.375 61.633 62.100 -0.154 0.000 1.007 347 T CB 1.078 69.816 68.868 -0.216 0.000 1.220 347 T HN 0.639 nan 8.240 nan 0.000 0.552 348 N N -0.100 118.597 118.700 -0.005 0.000 2.368 348 N HA 0.177 4.917 4.740 -0.000 0.000 0.178 348 N C 0.247 175.858 175.510 0.169 0.000 1.021 348 N CA 0.042 53.129 53.050 0.062 0.000 0.875 348 N CB 0.358 38.860 38.487 0.026 0.000 1.020 348 N HN 0.501 nan 8.380 nan 0.000 0.433 349 R N -0.521 120.091 120.500 0.186 0.000 2.664 349 R HA 0.265 4.605 4.340 -0.000 0.000 0.266 349 R C -2.927 173.522 176.300 0.248 0.000 1.046 349 R CA -1.378 54.862 56.100 0.234 0.000 0.885 349 R CB 1.032 31.349 30.300 0.027 0.000 1.254 349 R HN -0.279 nan 8.270 nan 0.000 0.465 350 P HA -0.241 nan 4.420 nan 0.000 0.222 350 P C 0.232 177.574 177.300 0.069 0.000 1.154 350 P CA 1.908 65.100 63.100 0.155 0.000 0.874 350 P CB 0.030 31.709 31.700 -0.035 0.000 0.787 351 N N -2.262 116.442 118.700 0.006 0.000 2.446 351 N HA -0.001 4.739 4.740 -0.000 0.000 0.179 351 N C 1.538 177.031 175.510 -0.028 0.000 1.054 351 N CA 0.581 53.616 53.050 -0.025 0.000 0.905 351 N CB -0.468 37.979 38.487 -0.067 0.000 0.973 351 N HN 0.035 nan 8.380 nan 0.000 0.448 352 S N 0.285 115.972 115.700 -0.023 0.000 2.402 352 S HA 0.082 4.552 4.470 -0.000 0.000 0.229 352 S C 0.856 175.434 174.600 -0.036 0.000 1.021 352 S CA 0.549 58.730 58.200 -0.033 0.000 0.974 352 S CB 0.055 63.237 63.200 -0.031 0.000 0.800 352 S HN 0.222 nan 8.310 nan 0.000 0.484 353 I N 1.785 122.337 120.570 -0.030 0.000 2.713 353 I HA 0.158 4.328 4.170 -0.000 0.000 0.300 353 I C 0.100 176.199 176.117 -0.031 0.000 1.009 353 I CA -0.761 60.506 61.300 -0.055 0.000 1.305 353 I CB 0.701 38.652 38.000 -0.083 0.000 1.430 353 I HN 0.054 nan 8.210 nan 0.000 0.546 354 D N 5.514 125.891 120.400 -0.037 0.000 2.390 354 D HA 0.105 4.745 4.640 -0.000 0.000 0.249 354 D C -1.948 174.348 176.300 -0.007 0.000 1.144 354 D CA -1.597 52.394 54.000 -0.016 0.000 0.880 354 D CB 1.291 42.084 40.800 -0.011 0.000 1.182 354 D HN 0.136 nan 8.370 nan 0.000 0.451 355 P HA 0.013 nan 4.420 nan 0.000 0.231 355 P C 0.365 177.667 177.300 0.004 0.000 1.158 355 P CA 0.764 63.867 63.100 0.004 0.000 0.763 355 P CB 0.237 31.941 31.700 0.007 0.000 0.805 356 A N -1.095 121.731 122.820 0.009 0.000 2.132 356 A HA 0.048 4.368 4.320 -0.000 0.000 0.213 356 A C 1.798 179.400 177.584 0.030 0.000 1.154 356 A CA 0.556 52.602 52.037 0.016 0.000 0.753 356 A CB -1.072 17.939 19.000 0.018 0.000 0.826 356 A HN 0.148 nan 8.150 nan 0.000 0.469 357 L N -0.821 120.429 121.223 0.045 0.000 2.492 357 L HA 0.026 4.366 4.340 -0.000 0.000 0.223 357 L C 2.141 179.075 176.870 0.105 0.000 1.132 357 L CA 0.154 55.069 54.840 0.126 0.000 0.850 357 L CB -0.149 41.964 42.059 0.090 0.000 0.966 357 L HN 0.176 nan 8.230 nan 0.000 0.454 358 R N 0.033 120.537 120.500 0.007 0.000 2.276 358 R HA 0.084 4.424 4.340 -0.000 0.000 0.203 358 R C 0.573 176.730 176.300 -0.237 0.000 1.017 358 R CA 0.072 56.121 56.100 -0.086 0.000 1.010 358 R CB -0.307 29.945 30.300 -0.080 0.000 0.900 358 R HN 0.234 nan 8.270 nan 0.000 0.469 359 R N 0.841 121.265 120.500 -0.127 0.000 2.697 359 R HA -0.056 4.284 4.340 -0.000 0.000 0.265 359 R C -0.204 175.980 176.300 -0.194 0.000 1.009 359 R CA 0.363 56.394 56.100 -0.116 0.000 1.099 359 R CB 0.001 30.296 30.300 -0.008 0.000 0.965 359 R HN -0.089 nan 8.270 nan 0.000 0.428 360 F N 1.117 121.083 119.950 0.026 0.000 2.494 360 F HA 0.202 4.729 4.527 -0.000 0.000 0.351 360 F C 1.489 177.286 175.800 -0.005 0.000 1.205 360 F CA 1.144 59.153 58.000 0.016 0.000 1.125 360 F CB 0.566 39.575 39.000 0.016 0.000 1.268 360 F HN 0.798 nan 8.300 nan 0.000 0.593 361 G N 2.525 111.365 108.800 0.066 0.000 3.246 361 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.218 361 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.218 361 G C 0.841 175.692 174.900 -0.080 0.000 0.978 361 G CA -0.474 44.631 45.100 0.008 0.000 0.825 361 G HN 0.488 nan 8.290 nan 0.000 0.546 362 R N -0.856 119.581 120.500 -0.105 0.000 2.091 362 R HA 0.592 4.932 4.340 -0.000 0.000 0.121 362 R C -0.357 175.744 176.300 -0.331 0.000 1.812 362 R CA -0.326 55.645 56.100 -0.215 0.000 1.565 362 R CB -0.044 30.222 30.300 -0.057 0.000 1.305 362 R HN 0.065 nan 8.270 nan 0.000 0.467 363 F N 2.517 122.435 119.950 -0.053 0.000 2.300 363 F HA 0.175 4.701 4.527 -0.000 0.000 0.364 363 F C -0.084 175.662 175.800 -0.091 0.000 1.090 363 F CA -0.627 57.344 58.000 -0.049 0.000 1.200 363 F CB 0.799 39.772 39.000 -0.044 0.000 1.493 363 F HN 0.427 nan 8.300 nan 0.000 0.518 364 D N -0.928 119.485 120.400 0.022 0.000 2.407 364 D HA 0.063 4.703 4.640 -0.000 0.000 0.208 364 D C 0.430 176.758 176.300 0.047 0.000 1.083 364 D CA 0.016 53.977 54.000 -0.065 0.000 0.844 364 D CB 0.323 41.076 40.800 -0.078 0.000 0.967 364 D HN -0.003 nan 8.370 nan 0.000 0.506 365 R N 1.626 122.182 120.500 0.094 0.000 2.272 365 R HA 0.349 4.689 4.340 -0.000 0.000 0.323 365 R C -0.509 175.874 176.300 0.139 0.000 1.002 365 R CA -0.260 55.910 56.100 0.116 0.000 0.900 365 R CB 0.664 31.023 30.300 0.098 0.000 1.151 365 R HN 0.350 nan 8.270 nan 0.000 0.507 366 E N 1.362 121.666 120.200 0.174 0.000 2.301 366 E HA 0.363 4.713 4.350 -0.000 0.000 0.275 366 E C -0.456 176.270 176.600 0.210 0.000 1.030 366 E CA -0.698 55.857 56.400 0.260 0.000 0.852 366 E CB 1.859 31.790 29.700 0.386 0.000 1.060 366 E HN 0.060 nan 8.360 nan 0.000 0.401 367 V N 2.629 122.676 119.914 0.222 0.000 2.445 367 V HA 0.055 4.175 4.120 -0.000 0.000 0.283 367 V C -0.890 175.327 176.094 0.204 0.000 1.014 367 V CA -0.842 61.555 62.300 0.161 0.000 0.852 367 V CB 1.534 33.419 31.823 0.103 0.000 1.021 367 V HN 0.678 nan 8.190 nan 0.000 0.435 368 D N 4.773 125.285 120.400 0.187 0.000 2.336 368 D HA 0.379 5.019 4.640 -0.000 0.000 0.249 368 D C -0.146 176.225 176.300 0.119 0.000 1.213 368 D CA 0.130 54.240 54.000 0.183 0.000 0.870 368 D CB 0.657 41.518 40.800 0.101 0.000 1.076 368 D HN 0.458 nan 8.370 nan 0.000 0.483 369 I N 3.204 123.847 120.570 0.122 0.000 2.440 369 I HA 0.556 4.726 4.170 -0.000 0.000 0.294 369 I C 1.195 177.358 176.117 0.077 0.000 0.995 369 I CA -0.361 60.986 61.300 0.079 0.000 1.306 369 I CB 1.757 39.796 38.000 0.066 0.000 1.407 369 I HN 0.458 nan 8.210 nan 0.000 0.501 370 G N 5.331 114.165 108.800 0.055 0.000 3.022 370 G HA2 0.617 4.577 3.960 -0.000 0.000 0.284 370 G HA3 0.617 4.577 3.960 -0.000 0.000 0.284 370 G C -0.746 174.178 174.900 0.041 0.000 1.375 370 G CA -0.880 44.250 45.100 0.050 0.000 0.902 370 G HN 0.431 nan 8.290 nan 0.000 0.538 371 I N 1.794 122.387 120.570 0.039 0.000 2.598 371 I HA 0.120 4.290 4.170 -0.000 0.000 0.284 371 I C -1.854 174.282 176.117 0.031 0.000 1.140 371 I CA -1.019 60.304 61.300 0.038 0.000 1.420 371 I CB 1.097 39.124 38.000 0.044 0.000 1.387 371 I HN 0.108 nan 8.210 nan 0.000 0.553 372 P HA -0.013 nan 4.420 nan 0.000 0.264 372 P C -0.618 176.680 177.300 -0.005 0.000 1.193 372 P CA -0.157 62.949 63.100 0.011 0.000 0.763 372 P CB 0.319 32.024 31.700 0.009 0.000 0.810 373 D N 2.328 122.719 120.400 -0.015 0.000 0.000 373 D HA 0.054 4.694 4.640 -0.000 0.000 0.000 373 D C 1.180 177.439 176.300 -0.067 0.000 0.000 373 D CA -0.337 53.641 54.000 -0.037 0.000 0.000 373 D CB 0.462 41.247 40.800 -0.024 0.000 0.000 373 D HN 0.253 nan 8.370 nan 0.000 0.000 374 A N 0.425 123.187 122.820 -0.097 0.000 1.881 374 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 374 A C 2.281 179.817 177.584 -0.080 0.000 1.215 374 A CA 3.220 55.189 52.037 -0.113 0.000 0.648 374 A CB -1.500 17.432 19.000 -0.113 0.000 0.832 374 A HN 0.741 nan 8.150 nan 0.000 0.455 375 T N -0.338 114.181 114.554 -0.060 0.000 2.708 375 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 375 T C 1.986 176.663 174.700 -0.038 0.000 1.037 375 T CA 1.491 63.563 62.100 -0.047 0.000 1.146 375 T CB -1.026 67.820 68.868 -0.037 0.000 0.865 375 T HN 0.670 nan 8.240 nan 0.000 0.435 376 G N 2.120 110.901 108.800 -0.031 0.000 2.777 376 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.217 376 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.217 376 G C 1.494 176.381 174.900 -0.021 0.000 1.295 376 G CA 1.125 46.214 45.100 -0.019 0.000 0.800 376 G HN 0.446 nan 8.290 nan 0.000 0.637 377 R N -0.287 120.195 120.500 -0.031 0.000 2.228 377 R HA -0.167 4.173 4.340 -0.000 0.000 0.264 377 R C 2.420 178.694 176.300 -0.043 0.000 1.179 377 R CA 1.405 57.481 56.100 -0.040 0.000 0.998 377 R CB -0.605 29.656 30.300 -0.066 0.000 0.885 377 R HN 0.384 nan 8.270 nan 0.000 0.466 378 L N 1.464 122.659 121.223 -0.046 0.000 1.973 378 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 378 L C 1.794 178.653 176.870 -0.018 0.000 1.073 378 L CA 1.913 56.725 54.840 -0.046 0.000 0.746 378 L CB -0.929 41.100 42.059 -0.051 0.000 0.891 378 L HN 0.223 nan 8.230 nan 0.000 0.433 379 E N 0.336 120.531 120.200 -0.009 0.000 2.055 379 E HA -0.321 4.029 4.350 -0.000 0.000 0.209 379 E C 2.154 178.779 176.600 0.043 0.000 1.036 379 E CA 2.222 58.629 56.400 0.012 0.000 0.849 379 E CB -0.394 29.311 29.700 0.008 0.000 0.767 379 E HN 0.541 nan 8.360 nan 0.000 0.461 380 I N 1.094 121.691 120.570 0.044 0.000 2.065 380 I HA -0.388 3.782 4.170 -0.000 0.000 0.236 380 I C 2.644 178.827 176.117 0.109 0.000 1.028 380 I CA 1.480 62.829 61.300 0.082 0.000 1.299 380 I CB -0.518 37.495 38.000 0.022 0.000 1.015 380 I HN 0.165 nan 8.210 nan 0.000 0.396 381 L N -0.110 121.133 121.223 0.034 0.000 2.051 381 L HA -0.323 4.017 4.340 -0.000 0.000 0.214 381 L C 2.775 179.704 176.870 0.097 0.000 1.076 381 L CA 1.683 56.550 54.840 0.044 0.000 0.758 381 L CB -0.688 41.361 42.059 -0.017 0.000 0.890 381 L HN 0.429 nan 8.230 nan 0.000 0.433 382 Q N -0.200 119.639 119.800 0.064 0.000 2.050 382 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 382 Q C 2.303 178.361 176.000 0.096 0.000 0.980 382 Q CA 1.504 57.344 55.803 0.061 0.000 0.840 382 Q CB -0.187 28.567 28.738 0.027 0.000 0.898 382 Q HN 0.557 nan 8.270 nan 0.000 0.424 383 I N 0.273 120.916 120.570 0.122 0.000 2.399 383 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 383 I C 1.058 177.205 176.117 0.050 0.000 1.146 383 I CA 1.170 62.526 61.300 0.092 0.000 1.412 383 I CB -0.254 37.808 38.000 0.102 0.000 1.076 383 I HN 0.234 nan 8.210 nan 0.000 0.432 384 H N -0.602 118.494 119.070 0.043 0.000 2.519 384 H HA 0.106 4.662 4.556 -0.000 0.000 0.289 384 H C 1.166 176.535 175.328 0.069 0.000 1.040 384 H CA 0.673 56.752 56.048 0.052 0.000 1.165 384 H CB -0.006 29.791 29.762 0.058 0.000 1.462 384 H HN 0.287 nan 8.280 nan 0.000 0.555 385 T N -2.953 111.695 114.554 0.157 0.000 3.209 385 T HA 0.032 4.382 4.350 -0.000 0.000 0.295 385 T C 1.084 175.834 174.700 0.084 0.000 0.977 385 T CA -0.652 61.531 62.100 0.138 0.000 0.922 385 T CB -0.034 68.942 68.868 0.179 0.000 1.152 385 T HN 0.361 nan 8.240 nan 0.000 0.527 386 K N 1.541 121.974 120.400 0.055 0.000 2.668 386 K HA 0.172 4.492 4.320 -0.000 0.000 0.204 386 K C 0.595 177.217 176.600 0.037 0.000 1.016 386 K CA 0.232 56.540 56.287 0.035 0.000 1.131 386 K CB -0.246 32.262 32.500 0.014 0.000 0.891 386 K HN 0.241 nan 8.250 nan 0.000 0.499 387 N N 0.569 119.298 118.700 0.048 0.000 2.209 387 N HA 0.064 4.804 4.740 -0.000 0.000 0.249 387 N C 0.150 175.691 175.510 0.052 0.000 1.146 387 N CA 0.083 53.163 53.050 0.051 0.000 0.800 387 N CB 0.134 38.648 38.487 0.045 0.000 1.521 387 N HN 0.240 nan 8.380 nan 0.000 0.498 388 M N 1.030 120.663 119.600 0.056 0.000 2.211 388 M HA 0.317 4.797 4.480 -0.000 0.000 0.356 388 M C 0.315 176.645 176.300 0.050 0.000 1.216 388 M CA -0.046 55.284 55.300 0.049 0.000 1.134 388 M CB 1.172 33.805 32.600 0.055 0.000 1.564 388 M HN -0.239 nan 8.290 nan 0.000 0.463 389 K N 4.034 124.453 120.400 0.032 0.000 2.054 389 K HA 0.256 4.576 4.320 -0.000 0.000 0.242 389 K C -0.790 175.836 176.600 0.044 0.000 1.157 389 K CA -0.124 56.178 56.287 0.024 0.000 1.079 389 K CB -0.243 32.259 32.500 0.003 0.000 1.331 389 K HN 0.712 nan 8.250 nan 0.000 0.317 390 L N 2.723 123.984 121.223 0.063 0.000 2.461 390 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 390 L C 0.832 177.735 176.870 0.055 0.000 1.197 390 L CA -0.356 54.538 54.840 0.090 0.000 0.836 390 L CB 0.749 42.866 42.059 0.096 0.000 1.105 390 L HN 0.596 nan 8.230 nan 0.000 0.477 391 A N 1.837 124.695 122.820 0.063 0.000 2.296 391 A HA 0.099 4.419 4.320 -0.000 0.000 0.264 391 A C 0.779 178.373 177.584 0.018 0.000 1.097 391 A CA -0.426 51.633 52.037 0.036 0.000 0.811 391 A CB 0.194 19.220 19.000 0.044 0.000 1.072 391 A HN 0.845 nan 8.150 nan 0.000 0.495 392 D N -0.093 120.311 120.400 0.007 0.000 2.312 392 D HA -0.106 4.534 4.640 -0.000 0.000 0.211 392 D C 0.269 176.565 176.300 -0.007 0.000 0.964 392 D CA 1.499 55.497 54.000 -0.003 0.000 0.877 392 D CB 0.016 40.813 40.800 -0.006 0.000 0.924 392 D HN 0.715 nan 8.370 nan 0.000 0.515 393 D N -0.144 120.256 120.400 -0.000 0.000 2.368 393 D HA -0.015 4.625 4.640 -0.000 0.000 0.218 393 D C 0.224 176.516 176.300 -0.012 0.000 1.112 393 D CA -0.199 53.798 54.000 -0.005 0.000 0.834 393 D CB -0.027 40.776 40.800 0.005 0.000 0.953 393 D HN -0.151 nan 8.370 nan 0.000 0.505 394 V N 1.741 121.644 119.914 -0.018 0.000 2.339 394 V HA 0.077 4.197 4.120 -0.000 0.000 0.261 394 V C 0.147 176.176 176.094 -0.107 0.000 1.058 394 V CA -0.502 61.763 62.300 -0.059 0.000 0.897 394 V CB 0.819 32.626 31.823 -0.026 0.000 1.052 394 V HN 0.138 nan 8.190 nan 0.000 0.480 395 D N 5.092 125.416 120.400 -0.126 0.000 2.522 395 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 395 D C 1.232 177.420 176.300 -0.188 0.000 1.149 395 D CA -0.148 53.778 54.000 -0.124 0.000 0.981 395 D CB 0.833 41.578 40.800 -0.091 0.000 1.041 395 D HN 0.446 nan 8.370 nan 0.000 0.518 396 L N 1.823 122.917 121.223 -0.215 0.000 2.089 396 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 396 L C 2.319 179.075 176.870 -0.190 0.000 1.079 396 L CA 1.265 55.946 54.840 -0.265 0.000 0.758 396 L CB -0.219 41.726 42.059 -0.190 0.000 0.891 396 L HN 0.433 nan 8.230 nan 0.000 0.433 397 E N -0.266 119.854 120.200 -0.133 0.000 2.118 397 E HA -0.319 4.031 4.350 -0.000 0.000 0.195 397 E C 2.135 178.667 176.600 -0.114 0.000 0.992 397 E CA 1.374 57.710 56.400 -0.107 0.000 0.804 397 E CB 0.078 29.729 29.700 -0.082 0.000 0.741 397 E HN 0.330 nan 8.360 nan 0.000 0.458 398 Q N 0.381 120.108 119.800 -0.122 0.000 1.993 398 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 398 Q C 2.164 178.087 176.000 -0.128 0.000 0.984 398 Q CA 2.105 57.842 55.803 -0.110 0.000 0.837 398 Q CB -0.616 28.061 28.738 -0.102 0.000 0.902 398 Q HN 0.246 nan 8.270 nan 0.000 0.423 399 V N 1.103 120.910 119.914 -0.178 0.000 2.317 399 V HA -0.367 3.753 4.120 -0.000 0.000 0.251 399 V C 2.326 178.327 176.094 -0.155 0.000 1.065 399 V CA 2.112 64.303 62.300 -0.181 0.000 1.049 399 V CB -1.460 30.183 31.823 -0.300 0.000 0.651 399 V HN 0.544 nan 8.190 nan 0.000 0.450 400 A N 0.094 122.825 122.820 -0.148 0.000 1.933 400 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 400 A C 2.095 179.599 177.584 -0.133 0.000 1.175 400 A CA 2.004 53.962 52.037 -0.132 0.000 0.628 400 A CB -0.599 18.335 19.000 -0.111 0.000 0.814 400 A HN 0.642 nan 8.150 nan 0.000 0.444 401 N N 0.437 119.067 118.700 -0.117 0.000 2.028 401 N HA -0.185 4.555 4.740 -0.000 0.000 0.194 401 N C 1.725 177.181 175.510 -0.089 0.000 1.050 401 N CA 1.845 54.833 53.050 -0.104 0.000 0.848 401 N CB -0.671 37.768 38.487 -0.081 0.000 1.038 401 N HN 0.851 nan 8.380 nan 0.000 0.423 402 E N 0.765 120.919 120.200 -0.076 0.000 2.338 402 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 402 E C 0.001 176.566 176.600 -0.059 0.000 1.007 402 E CA 0.751 57.123 56.400 -0.047 0.000 0.849 402 E CB -0.478 29.198 29.700 -0.040 0.000 0.774 402 E HN 0.231 nan 8.360 nan 0.000 0.506 403 T N -0.759 113.709 114.554 -0.145 0.000 2.992 403 T HA 0.089 4.439 4.350 -0.000 0.000 0.299 403 T C 0.431 175.070 174.700 -0.102 0.000 1.027 403 T CA -0.724 61.207 62.100 -0.281 0.000 1.001 403 T CB 0.824 69.374 68.868 -0.529 0.000 1.005 403 T HN 0.141 nan 8.240 nan 0.000 0.599 404 H N 3.997 123.048 119.070 -0.031 0.000 2.329 404 H HA 0.195 4.751 4.556 -0.000 0.000 0.306 404 H C 1.542 176.909 175.328 0.064 0.000 1.062 404 H CA 1.354 57.409 56.048 0.013 0.000 1.364 404 H CB -0.046 29.724 29.762 0.015 0.000 1.409 404 H HN 0.713 nan 8.280 nan 0.000 0.519 405 G N 1.002 110.022 108.800 0.366 0.000 4.477 405 G HA2 0.279 4.239 3.960 -0.000 0.000 0.319 405 G HA3 0.279 4.239 3.960 -0.000 0.000 0.319 405 G C -1.107 173.940 174.900 0.244 0.000 1.391 405 G CA -0.345 44.911 45.100 0.260 0.000 1.261 405 G HN 0.274 nan 8.290 nan 0.000 0.556 406 H N -0.590 118.491 119.070 0.019 0.000 2.676 406 H HA 0.706 5.262 4.556 -0.000 0.000 0.352 406 H C 0.538 175.861 175.328 -0.008 0.000 1.193 406 H CA -0.620 55.426 56.048 -0.004 0.000 1.243 406 H CB 2.085 31.839 29.762 -0.013 0.000 1.751 406 H HN 0.297 nan 8.280 nan 0.000 0.567 407 V N -1.575 118.394 119.914 0.092 0.000 3.229 407 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 407 V C 1.343 177.459 176.094 0.036 0.000 1.206 407 V CA -0.105 62.224 62.300 0.047 0.000 1.051 407 V CB 1.091 32.923 31.823 0.016 0.000 1.183 407 V HN 0.807 nan 8.190 nan 0.000 0.466 408 G N -0.052 108.759 108.800 0.018 0.000 2.739 408 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 408 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 408 G C 1.592 176.471 174.900 -0.035 0.000 1.298 408 G CA 2.434 47.530 45.100 -0.007 0.000 0.804 408 G HN 1.664 nan 8.290 nan 0.000 0.623 409 A N 1.069 123.883 122.820 -0.011 0.000 1.887 409 A HA -0.334 3.986 4.320 -0.000 0.000 0.225 409 A C 2.090 179.663 177.584 -0.020 0.000 1.464 409 A CA 2.783 54.812 52.037 -0.014 0.000 0.717 409 A CB -1.179 17.819 19.000 -0.002 0.000 0.848 409 A HN 0.439 nan 8.150 nan 0.000 0.477 410 D N -0.378 120.021 120.400 -0.002 0.000 2.157 410 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 410 D C 1.944 178.304 176.300 0.100 0.000 1.004 410 D CA 1.683 55.706 54.000 0.040 0.000 0.854 410 D CB -0.441 40.364 40.800 0.007 0.000 0.936 410 D HN 0.508 nan 8.370 nan 0.000 0.446 411 L N 0.392 121.652 121.223 0.062 0.000 2.093 411 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 411 L C 2.565 179.373 176.870 -0.103 0.000 1.085 411 L CA 0.930 55.766 54.840 -0.006 0.000 0.755 411 L CB -0.295 41.735 42.059 -0.049 0.000 0.904 411 L HN -0.008 nan 8.230 nan 0.000 0.435 412 A N -0.070 122.619 122.820 -0.217 0.000 1.854 412 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 412 A C 2.544 180.086 177.584 -0.069 0.000 1.192 412 A CA 1.351 53.196 52.037 -0.320 0.000 0.611 412 A CB -0.744 18.030 19.000 -0.377 0.000 0.832 412 A HN 0.358 nan 8.150 nan 0.000 0.442 413 A N -0.282 122.520 122.820 -0.030 0.000 1.927 413 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 413 A C 2.145 179.733 177.584 0.006 0.000 1.185 413 A CA 2.029 54.067 52.037 0.002 0.000 0.639 413 A CB -0.767 18.233 19.000 -0.001 0.000 0.820 413 A HN 0.748 nan 8.150 nan 0.000 0.451 414 L N -0.115 121.117 121.223 0.014 0.000 2.012 414 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 414 L C 2.529 179.398 176.870 -0.003 0.000 1.073 414 L CA 2.451 57.308 54.840 0.029 0.000 0.748 414 L CB -0.918 41.191 42.059 0.084 0.000 0.891 414 L HN 0.502 nan 8.230 nan 0.000 0.431 415 C N -1.031 118.288 119.300 0.033 0.000 2.413 415 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 415 C C 2.850 177.810 174.990 -0.050 0.000 1.265 415 C CA 1.041 60.064 59.018 0.007 0.000 1.752 415 C CB -1.347 26.476 27.740 0.138 0.000 1.998 415 C HN 0.665 nan 8.230 nan 0.000 0.489 416 S N 0.602 116.305 115.700 0.004 0.000 2.338 416 S HA -0.140 4.330 4.470 -0.000 0.000 0.218 416 S C 1.775 176.378 174.600 0.006 0.000 1.032 416 S CA 1.082 59.290 58.200 0.012 0.000 0.999 416 S CB -0.337 62.883 63.200 0.034 0.000 0.905 416 S HN 0.593 nan 8.310 nan 0.000 0.439 417 E N 1.942 122.158 120.200 0.027 0.000 2.019 417 E HA -0.210 4.140 4.350 -0.000 0.000 0.208 417 E C 2.472 179.150 176.600 0.129 0.000 1.030 417 E CA 1.438 57.909 56.400 0.118 0.000 0.856 417 E CB -1.098 28.643 29.700 0.068 0.000 0.781 417 E HN 0.425 nan 8.360 nan 0.000 0.471 418 A N 1.635 124.444 122.820 -0.018 0.000 1.929 418 A HA -0.313 4.006 4.320 -0.000 0.000 0.221 418 A C 2.425 179.873 177.584 -0.226 0.000 1.211 418 A CA 3.496 55.405 52.037 -0.215 0.000 0.657 418 A CB -1.023 17.422 19.000 -0.925 0.000 0.827 418 A HN 0.365 nan 8.150 nan 0.000 0.462 419 A N -0.572 122.121 122.820 -0.211 0.000 1.835 419 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 419 A C 2.156 179.691 177.584 -0.081 0.000 1.199 419 A CA 1.551 53.511 52.037 -0.130 0.000 0.615 419 A CB -0.869 18.087 19.000 -0.073 0.000 0.838 419 A HN 0.529 nan 8.150 nan 0.000 0.444 420 L N -0.661 120.537 121.223 -0.041 0.000 2.103 420 L HA -0.341 3.999 4.340 -0.000 0.000 0.215 420 L C 2.873 179.680 176.870 -0.106 0.000 1.080 420 L CA 1.966 56.782 54.840 -0.041 0.000 0.764 420 L CB -0.592 41.471 42.059 0.006 0.000 0.890 420 L HN 0.617 nan 8.230 nan 0.000 0.435 421 Q N 0.168 119.881 119.800 -0.145 0.000 2.014 421 Q HA -0.255 4.085 4.340 -0.000 0.000 0.207 421 Q C 2.202 178.052 176.000 -0.250 0.000 0.993 421 Q CA 2.470 58.065 55.803 -0.347 0.000 0.850 421 Q CB -0.427 28.094 28.738 -0.361 0.000 0.916 421 Q HN 0.436 nan 8.270 nan 0.000 0.417 422 A N 0.557 123.280 122.820 -0.163 0.000 1.870 422 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 422 A C 2.207 179.726 177.584 -0.109 0.000 1.224 422 A CA 2.189 54.156 52.037 -0.117 0.000 0.650 422 A CB -1.294 17.660 19.000 -0.077 0.000 0.836 422 A HN 0.561 nan 8.150 nan 0.000 0.454 423 I N -1.060 119.457 120.570 -0.089 0.000 2.399 423 I HA -0.265 3.905 4.170 -0.000 0.000 0.254 423 I C 2.633 178.699 176.117 -0.085 0.000 1.146 423 I CA 1.666 62.923 61.300 -0.071 0.000 1.412 423 I CB -0.318 37.651 38.000 -0.051 0.000 1.076 423 I HN 0.373 nan 8.210 nan 0.000 0.432 424 R N 0.798 121.223 120.500 -0.124 0.000 2.276 424 R HA -0.058 4.282 4.340 -0.000 0.000 0.196 424 R C 1.910 178.123 176.300 -0.146 0.000 0.961 424 R CA 0.578 56.596 56.100 -0.137 0.000 1.024 424 R CB 0.273 30.457 30.300 -0.193 0.000 0.940 424 R HN 0.338 nan 8.270 nan 0.000 0.480 425 K N 0.360 120.671 120.400 -0.148 0.000 2.312 425 K HA 0.048 4.368 4.320 -0.000 0.000 0.230 425 K C 1.531 178.078 176.600 -0.089 0.000 1.048 425 K CA 0.059 56.266 56.287 -0.132 0.000 0.938 425 K CB 0.174 32.582 32.500 -0.154 0.000 1.139 425 K HN -0.164 nan 8.250 nan 0.000 0.461 426 K N 1.125 121.475 120.400 -0.083 0.000 2.015 426 K HA -0.236 4.084 4.320 -0.000 0.000 0.216 426 K C 2.268 178.838 176.600 -0.050 0.000 1.052 426 K CA 2.431 58.683 56.287 -0.059 0.000 0.937 426 K CB -0.373 32.097 32.500 -0.050 0.000 0.719 426 K HN 0.327 nan 8.250 nan 0.000 0.446 427 M N 1.267 120.837 119.600 -0.050 0.000 2.091 427 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 427 M C 1.122 177.400 176.300 -0.036 0.000 1.076 427 M CA 2.070 57.346 55.300 -0.039 0.000 1.111 427 M CB -0.158 32.420 32.600 -0.037 0.000 1.291 427 M HN -0.000 nan 8.290 nan 0.000 0.417 428 D N 0.714 121.090 120.400 -0.040 0.000 2.149 428 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 428 D C 2.192 178.472 176.300 -0.032 0.000 0.972 428 D CA 0.918 54.898 54.000 -0.033 0.000 0.835 428 D CB -0.435 40.343 40.800 -0.035 0.000 0.966 428 D HN 0.388 nan 8.370 nan 0.000 0.476 429 L N 0.713 121.912 121.223 -0.040 0.000 2.034 429 L HA -0.206 4.134 4.340 -0.000 0.000 0.217 429 L C 1.771 178.624 176.870 -0.029 0.000 1.077 429 L CA 0.935 55.753 54.840 -0.036 0.000 0.769 429 L CB -0.379 41.654 42.059 -0.044 0.000 0.890 429 L HN 0.123 nan 8.230 nan 0.000 0.435 430 I N -0.133 120.419 120.570 -0.029 0.000 3.369 430 I HA -0.183 3.987 4.170 -0.000 0.000 0.288 430 I C 1.830 177.935 176.117 -0.020 0.000 1.321 430 I CA 0.722 62.008 61.300 -0.024 0.000 1.358 430 I CB -1.473 36.513 38.000 -0.024 0.000 1.038 430 I HN 0.250 nan 8.210 nan 0.000 0.516 431 D N 1.153 121.541 120.400 -0.020 0.000 2.322 431 D HA -0.201 4.439 4.640 -0.000 0.000 0.210 431 D C 2.175 178.467 176.300 -0.013 0.000 0.983 431 D CA 0.933 54.924 54.000 -0.016 0.000 0.902 431 D CB 0.135 40.925 40.800 -0.017 0.000 0.905 431 D HN 0.352 nan 8.370 nan 0.000 0.483 432 L N 0.186 121.400 121.223 -0.014 0.000 2.056 432 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 432 L C 2.403 179.267 176.870 -0.010 0.000 1.078 432 L CA 1.007 55.840 54.840 -0.012 0.000 0.749 432 L CB -0.346 41.705 42.059 -0.013 0.000 0.901 432 L HN 0.064 nan 8.230 nan 0.000 0.433 433 E N -0.368 119.825 120.200 -0.011 0.000 2.001 433 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 433 E C 0.194 176.790 176.600 -0.007 0.000 1.002 433 E CA 0.955 57.350 56.400 -0.009 0.000 0.819 433 E CB 0.160 29.854 29.700 -0.010 0.000 0.769 433 E HN 0.455 nan 8.360 nan 0.000 0.454 434 D N -1.388 119.008 120.400 -0.008 0.000 2.992 434 D HA -0.020 4.620 4.640 -0.000 0.000 0.349 434 D C -1.286 175.010 176.300 -0.007 0.000 1.393 434 D CA -0.328 53.668 54.000 -0.006 0.000 0.887 434 D CB 0.783 41.581 40.800 -0.004 0.000 1.447 434 D HN 0.108 nan 8.370 nan 0.000 0.524 435 E N 0.231 120.428 120.200 -0.005 0.000 1.964 435 E HA 0.285 4.635 4.350 -0.000 0.000 0.264 435 E C -0.430 176.169 176.600 -0.002 0.000 1.120 435 E CA -0.472 55.925 56.400 -0.005 0.000 1.061 435 E CB -0.299 29.398 29.700 -0.004 0.000 1.190 435 E HN 0.205 nan 8.360 nan 0.000 0.459 436 T N 1.281 115.833 114.554 -0.003 0.000 3.414 436 T HA 0.289 4.639 4.350 -0.000 0.000 0.304 436 T C 0.416 175.116 174.700 0.001 0.000 1.241 436 T CA -0.598 61.502 62.100 0.000 0.000 1.076 436 T CB -0.596 68.271 68.868 -0.001 0.000 1.134 436 T HN 0.411 nan 8.240 nan 0.000 0.759 437 I N 5.112 125.684 120.570 0.004 0.000 2.293 437 I HA 0.252 4.422 4.170 -0.000 0.000 0.299 437 I C 0.572 176.698 176.117 0.015 0.000 1.153 437 I CA -0.156 61.148 61.300 0.006 0.000 1.302 437 I CB -0.257 37.747 38.000 0.007 0.000 1.460 437 I HN 0.725 nan 8.210 nan 0.000 0.552 438 D N 4.716 125.125 120.400 0.015 0.000 2.744 438 D HA 0.407 5.047 4.640 -0.000 0.000 0.304 438 D C 0.439 176.754 176.300 0.026 0.000 1.179 438 D CA -0.530 53.485 54.000 0.026 0.000 1.024 438 D CB 1.631 42.444 40.800 0.021 0.000 1.453 438 D HN 0.240 nan 8.370 nan 0.000 0.529 439 A N 0.397 123.239 122.820 0.036 0.000 1.825 439 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 439 A C 1.976 179.531 177.584 -0.048 0.000 1.206 439 A CA 2.003 54.050 52.037 0.016 0.000 0.609 439 A CB -1.172 17.859 19.000 0.051 0.000 0.851 439 A HN 0.794 nan 8.150 nan 0.000 0.445 440 E N -0.300 119.869 120.200 -0.052 0.000 2.208 440 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 440 E C 1.818 178.385 176.600 -0.054 0.000 1.014 440 E CA 1.623 57.983 56.400 -0.068 0.000 0.819 440 E CB -0.223 29.450 29.700 -0.045 0.000 0.735 440 E HN 0.365 nan 8.360 nan 0.000 0.469 441 V N 0.585 120.479 119.914 -0.034 0.000 2.229 441 V HA -0.294 3.826 4.120 -0.000 0.000 0.243 441 V C 2.455 178.531 176.094 -0.031 0.000 1.042 441 V CA 1.832 64.115 62.300 -0.027 0.000 1.000 441 V CB -0.472 31.342 31.823 -0.016 0.000 0.637 441 V HN 0.378 nan 8.190 nan 0.000 0.446 442 M N 0.347 119.933 119.600 -0.024 0.000 2.149 442 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 442 M C 2.118 178.396 176.300 -0.036 0.000 1.064 442 M CA 1.762 57.051 55.300 -0.019 0.000 1.102 442 M CB -1.886 30.715 32.600 0.002 0.000 1.369 442 M HN 0.500 nan 8.290 nan 0.000 0.408 443 N N 1.061 119.719 118.700 -0.069 0.000 2.018 443 N HA -0.152 4.588 4.740 -0.000 0.000 0.196 443 N C 1.582 177.050 175.510 -0.070 0.000 1.043 443 N CA 2.541 55.528 53.050 -0.105 0.000 0.856 443 N CB -0.248 38.133 38.487 -0.176 0.000 1.042 443 N HN 0.437 nan 8.380 nan 0.000 0.423 444 S N -0.112 115.552 115.700 -0.060 0.000 2.562 444 S HA 0.048 4.518 4.470 -0.000 0.000 0.221 444 S C 0.928 175.509 174.600 -0.031 0.000 0.975 444 S CA -0.332 57.842 58.200 -0.045 0.000 0.918 444 S CB -0.339 62.835 63.200 -0.043 0.000 0.772 444 S HN 0.357 nan 8.310 nan 0.000 0.531 445 L N 2.952 124.158 121.223 -0.029 0.000 2.530 445 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 445 L C 0.167 177.028 176.870 -0.015 0.000 1.141 445 L CA 0.044 54.870 54.840 -0.024 0.000 0.905 445 L CB -0.163 41.881 42.059 -0.024 0.000 1.202 445 L HN 0.361 nan 8.230 nan 0.000 0.473 446 A N 5.407 128.220 122.820 -0.011 0.000 2.295 446 A HA 0.620 4.940 4.320 -0.000 0.000 0.318 446 A C -0.595 176.994 177.584 0.008 0.000 1.134 446 A CA -0.527 51.512 52.037 0.004 0.000 0.827 446 A CB 1.527 20.531 19.000 0.007 0.000 1.136 446 A HN 0.539 nan 8.150 nan 0.000 0.493 447 V N 2.615 122.550 119.914 0.036 0.000 2.304 447 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 447 V C 0.723 176.888 176.094 0.118 0.000 1.018 447 V CA -0.033 62.293 62.300 0.044 0.000 0.814 447 V CB 0.870 32.710 31.823 0.029 0.000 1.021 447 V HN 1.140 nan 8.190 nan 0.000 0.440 448 T N 2.050 116.661 114.554 0.095 0.000 2.816 448 T HA 0.281 4.631 4.350 -0.000 0.000 0.282 448 T C 0.922 175.748 174.700 0.210 0.000 0.993 448 T CA -0.484 61.688 62.100 0.119 0.000 0.994 448 T CB 0.779 69.686 68.868 0.066 0.000 1.025 448 T HN 0.392 nan 8.240 nan 0.000 0.529 449 M N 0.527 120.224 119.600 0.162 0.000 2.748 449 M HA 0.124 4.604 4.480 -0.000 0.000 0.241 449 M C 1.045 177.450 176.300 0.176 0.000 1.080 449 M CA 0.870 56.272 55.300 0.170 0.000 1.068 449 M CB -1.305 31.329 32.600 0.057 0.000 1.536 449 M HN 0.817 nan 8.290 nan 0.000 0.540 450 D N -1.043 119.450 120.400 0.155 0.000 2.392 450 D HA -0.028 4.612 4.640 -0.000 0.000 0.206 450 D C 1.183 177.585 176.300 0.170 0.000 1.046 450 D CA 0.621 54.701 54.000 0.134 0.000 0.865 450 D CB 0.314 41.162 40.800 0.079 0.000 0.969 450 D HN 0.303 nan 8.370 nan 0.000 0.509 451 D N -0.534 119.964 120.400 0.162 0.000 2.194 451 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 451 D C 1.372 177.762 176.300 0.150 0.000 0.964 451 D CA 0.603 54.666 54.000 0.105 0.000 0.846 451 D CB -0.016 40.767 40.800 -0.028 0.000 0.962 451 D HN 0.317 nan 8.370 nan 0.000 0.490 452 F N 0.829 120.851 119.950 0.120 0.000 2.293 452 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 452 F C 2.438 178.289 175.800 0.086 0.000 1.089 452 F CA 0.226 58.283 58.000 0.094 0.000 1.377 452 F CB 0.035 39.061 39.000 0.044 0.000 1.051 452 F HN -0.203 nan 8.300 nan 0.000 0.511 453 R N -0.168 120.502 120.500 0.283 0.000 2.105 453 R HA -0.236 4.104 4.340 -0.000 0.000 0.239 453 R C 1.942 178.344 176.300 0.170 0.000 1.135 453 R CA 1.746 57.953 56.100 0.178 0.000 0.967 453 R CB -1.139 29.250 30.300 0.147 0.000 0.861 453 R HN 0.454 nan 8.270 nan 0.000 0.442 454 W N 0.162 121.485 121.300 0.039 0.000 2.409 454 W HA 0.078 4.738 4.660 -0.000 0.000 0.299 454 W C 1.936 178.458 176.519 0.005 0.000 1.203 454 W CA 1.815 59.167 57.345 0.011 0.000 1.298 454 W CB -0.553 28.902 29.460 -0.008 0.000 1.127 454 W HN 0.150 nan 8.180 nan 0.000 0.528 455 A N 0.440 123.291 122.820 0.052 0.000 1.902 455 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 455 A C 2.086 179.541 177.584 -0.216 0.000 1.181 455 A CA 1.803 53.722 52.037 -0.196 0.000 0.623 455 A CB -1.031 17.975 19.000 0.010 0.000 0.818 455 A HN 0.415 nan 8.150 nan 0.000 0.443 456 L N -0.447 120.737 121.223 -0.065 0.000 2.056 456 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 456 L C 1.259 178.069 176.870 -0.099 0.000 1.078 456 L CA 1.018 55.833 54.840 -0.042 0.000 0.749 456 L CB -0.140 41.931 42.059 0.021 0.000 0.901 456 L HN 0.201 nan 8.230 nan 0.000 0.433 457 S N -0.138 115.482 115.700 -0.134 0.000 3.811 457 S HA 0.110 4.580 4.470 -0.000 0.000 0.205 457 S C 0.049 174.498 174.600 -0.252 0.000 1.445 457 S CA -0.049 58.067 58.200 -0.140 0.000 1.097 457 S CB -0.092 63.060 63.200 -0.080 0.000 1.350 457 S HN 0.225 nan 8.310 nan 0.000 0.471 458 Q N 0.086 119.723 119.800 -0.272 0.000 3.304 458 Q HA 0.499 4.839 4.340 -0.000 0.000 0.269 458 Q C 0.293 176.182 176.000 -0.185 0.000 1.025 458 Q CA -0.579 55.030 55.803 -0.323 0.000 0.836 458 Q CB 0.608 29.053 28.738 -0.488 0.000 1.831 458 Q HN 0.125 nan 8.270 nan 0.000 0.455 459 S N 0.704 116.303 115.700 -0.169 0.000 2.583 459 S HA 0.111 4.581 4.470 -0.000 0.000 0.239 459 S C 0.288 174.830 174.600 -0.097 0.000 0.966 459 S CA 0.026 58.160 58.200 -0.109 0.000 0.973 459 S CB -0.359 62.789 63.200 -0.087 0.000 0.794 459 S HN 0.565 nan 8.310 nan 0.000 0.463 460 N N 1.265 119.903 118.700 -0.104 0.000 2.317 460 N HA 0.055 4.795 4.740 -0.000 0.000 0.199 460 N C -1.474 174.003 175.510 -0.055 0.000 1.145 460 N CA -0.013 52.989 53.050 -0.080 0.000 0.882 460 N CB -1.111 37.331 38.487 -0.076 0.000 1.113 460 N HN 0.216 nan 8.380 nan 0.000 0.486 461 P HA -0.063 nan 4.420 nan 0.000 0.223 461 P C 0.079 177.355 177.300 -0.040 0.000 1.144 461 P CA 0.846 63.997 63.100 0.086 0.000 0.783 461 P CB -0.398 31.342 31.700 0.067 0.000 0.771 462 S N -0.262 115.385 115.700 -0.089 0.000 3.355 462 S HA 0.421 4.891 4.470 -0.000 0.000 0.293 462 S C 0.625 175.108 174.600 -0.195 0.000 1.197 462 S CA -0.709 57.421 58.200 -0.116 0.000 1.117 462 S CB -0.715 62.431 63.200 -0.091 0.000 1.587 462 S HN 0.261 nan 8.310 nan 0.000 0.536 463 A N 3.924 126.556 122.820 -0.312 0.000 2.340 463 A HA 0.538 4.858 4.320 -0.000 0.000 0.268 463 A C 0.458 177.916 177.584 -0.211 0.000 1.100 463 A CA -0.859 50.945 52.037 -0.389 0.000 0.803 463 A CB 0.211 18.761 19.000 -0.751 0.000 1.043 463 A HN 0.864 nan 8.150 nan 0.000 0.488 464 L N 3.141 124.265 121.223 -0.166 0.000 2.536 464 L HA 0.151 4.491 4.340 -0.000 0.000 0.282 464 L C 1.190 177.992 176.870 -0.113 0.000 1.174 464 L CA -0.024 54.743 54.840 -0.121 0.000 0.989 464 L CB -0.495 41.510 42.059 -0.089 0.000 1.311 464 L HN 0.805 nan 8.230 nan 0.000 0.455 465 R N 3.204 123.630 120.500 -0.124 0.000 2.726 465 R HA 0.326 4.666 4.340 -0.000 0.000 0.272 465 R C -0.040 176.161 176.300 -0.166 0.000 1.097 465 R CA 0.043 56.071 56.100 -0.119 0.000 1.198 465 R CB 1.000 31.226 30.300 -0.123 0.000 1.114 465 R HN 0.706 nan 8.270 nan 0.000 0.550 466 E N -0.749 119.354 120.200 -0.162 0.000 2.238 466 E HA 0.065 4.415 4.350 -0.000 0.000 0.252 466 E C -1.526 174.996 176.600 -0.130 0.000 1.317 466 E CA -0.593 55.664 56.400 -0.238 0.000 0.921 466 E CB 1.143 30.749 29.700 -0.155 0.000 1.626 466 E HN 0.679 nan 8.360 nan 0.000 0.488 467 T N 0.126 114.655 114.554 -0.042 0.000 2.779 467 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 467 T C 0.209 174.937 174.700 0.046 0.000 0.938 467 T CA -0.630 61.519 62.100 0.082 0.000 1.119 467 T CB 0.291 69.320 68.868 0.269 0.000 0.891 467 T HN 0.235 nan 8.240 nan 0.000 0.526 468 V N 3.339 123.276 119.914 0.037 0.000 2.837 468 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 468 V C 0.241 176.355 176.094 0.033 0.000 1.059 468 V CA -0.988 61.342 62.300 0.050 0.000 1.004 468 V CB 1.828 33.711 31.823 0.100 0.000 1.045 468 V HN 0.799 nan 8.190 nan 0.000 0.465 469 V N 2.514 122.451 119.914 0.037 0.000 2.350 469 V HA 0.458 4.578 4.120 -0.000 0.000 0.285 469 V C -0.109 176.014 176.094 0.047 0.000 1.014 469 V CA -0.157 62.162 62.300 0.031 0.000 0.831 469 V CB 1.167 33.003 31.823 0.022 0.000 1.000 469 V HN 1.004 nan 8.190 nan 0.000 0.433 470 E N 3.069 123.312 120.200 0.072 0.000 2.393 470 E HA 0.666 5.016 4.350 -0.000 0.000 0.265 470 E C -1.482 175.157 176.600 0.065 0.000 0.941 470 E CA -0.762 55.674 56.400 0.061 0.000 0.801 470 E CB 2.597 32.342 29.700 0.074 0.000 1.313 470 E HN 0.352 nan 8.360 nan 0.000 0.435 471 V N 3.739 123.671 119.914 0.029 0.000 2.304 471 V HA 0.259 4.379 4.120 -0.000 0.000 0.269 471 V C -2.243 173.842 176.094 -0.015 0.000 1.036 471 V CA -1.667 60.639 62.300 0.010 0.000 0.840 471 V CB 0.551 32.367 31.823 -0.012 0.000 1.036 471 V HN 0.663 nan 8.190 nan 0.000 0.466 472 P HA -0.120 nan 4.420 nan 0.000 0.262 472 P C 0.627 177.860 177.300 -0.111 0.000 1.151 472 P CA 0.572 63.614 63.100 -0.097 0.000 0.757 472 P CB 0.455 32.048 31.700 -0.179 0.000 0.754 473 Q N 3.046 122.780 119.800 -0.111 0.000 2.390 473 Q HA 0.050 4.390 4.340 -0.000 0.000 0.216 473 Q C 0.663 176.583 176.000 -0.134 0.000 0.916 473 Q CA 0.559 56.300 55.803 -0.103 0.000 0.911 473 Q CB -0.541 28.153 28.738 -0.074 0.000 1.035 473 Q HN 0.337 nan 8.270 nan 0.000 0.541 474 V N 4.149 123.966 119.914 -0.161 0.000 2.585 474 V HA 0.119 4.239 4.120 -0.000 0.000 0.296 474 V C 0.603 176.534 176.094 -0.272 0.000 1.035 474 V CA 0.900 63.089 62.300 -0.185 0.000 1.084 474 V CB 0.828 32.539 31.823 -0.188 0.000 0.953 474 V HN 0.708 nan 8.190 nan 0.000 0.483 475 T N 3.157 117.566 114.554 -0.241 0.000 3.210 475 T HA 0.240 4.590 4.350 -0.000 0.000 0.290 475 T C 0.575 175.062 174.700 -0.356 0.000 1.229 475 T CA 0.212 62.105 62.100 -0.345 0.000 0.920 475 T CB 0.276 69.044 68.868 -0.167 0.000 2.279 475 T HN 0.641 nan 8.240 nan 0.000 0.552 476 W N 1.037 122.291 121.300 -0.077 0.000 3.290 476 W HA 0.370 5.030 4.660 -0.000 0.000 0.287 476 W C 2.270 178.751 176.519 -0.063 0.000 1.288 476 W CA -0.562 56.738 57.345 -0.075 0.000 1.725 476 W CB 0.063 29.485 29.460 -0.063 0.000 1.103 476 W HN 0.697 nan 8.180 nan 0.000 0.670 477 E N 0.476 120.750 120.200 0.123 0.000 2.208 477 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 477 E C 0.237 176.858 176.600 0.034 0.000 0.988 477 E CA 0.971 57.410 56.400 0.065 0.000 0.828 477 E CB -0.093 29.623 29.700 0.026 0.000 0.763 477 E HN 0.256 nan 8.360 nan 0.000 0.478 478 D N 0.063 120.469 120.400 0.009 0.000 2.434 478 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 478 D C -0.606 175.693 176.300 -0.000 0.000 1.166 478 D CA 0.293 54.287 54.000 -0.011 0.000 0.830 478 D CB 0.223 40.996 40.800 -0.046 0.000 0.960 478 D HN 0.031 nan 8.370 nan 0.000 0.497 479 I N 0.411 121.005 120.570 0.040 0.000 2.586 479 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 479 I C 0.153 176.296 176.117 0.043 0.000 1.145 479 I CA -0.751 60.575 61.300 0.044 0.000 1.073 479 I CB 2.056 40.108 38.000 0.087 0.000 1.238 479 I HN -0.093 nan 8.210 nan 0.000 0.461 480 G N 3.359 112.167 108.800 0.014 0.000 2.410 480 G HA2 0.725 4.685 3.960 -0.000 0.000 0.330 480 G HA3 0.725 4.685 3.960 -0.000 0.000 0.330 480 G C 0.034 174.928 174.900 -0.009 0.000 1.142 480 G CA -0.213 44.889 45.100 0.003 0.000 0.902 480 G HN 0.995 nan 8.290 nan 0.000 0.491 481 G N -0.744 108.046 108.800 -0.018 0.000 2.819 481 G HA2 0.140 4.100 3.960 -0.000 0.000 0.682 481 G HA3 0.140 4.100 3.960 -0.000 0.000 0.682 481 G C 0.411 175.293 174.900 -0.030 0.000 1.481 481 G CA -0.228 44.858 45.100 -0.023 0.000 0.904 481 G HN 1.862 nan 8.290 nan 0.000 0.563 482 L N -1.257 119.948 121.223 -0.030 0.000 3.717 482 L HA -0.176 4.164 4.340 -0.000 0.000 0.411 482 L C 1.706 178.549 176.870 -0.045 0.000 1.233 482 L CA 1.256 56.078 54.840 -0.030 0.000 0.917 482 L CB -0.772 41.269 42.059 -0.030 0.000 1.902 482 L HN 0.847 nan 8.230 nan 0.000 0.894 483 E N 0.097 120.258 120.200 -0.065 0.000 2.461 483 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 483 E C 1.318 177.858 176.600 -0.100 0.000 1.129 483 E CA 0.637 56.968 56.400 -0.114 0.000 0.902 483 E CB -0.016 29.612 29.700 -0.120 0.000 0.963 483 E HN 0.709 nan 8.360 nan 0.000 0.503 484 D N 0.654 121.023 120.400 -0.053 0.000 2.149 484 D HA -0.134 4.505 4.640 -0.000 0.000 0.206 484 D C 2.068 178.359 176.300 -0.015 0.000 0.967 484 D CA 1.189 55.173 54.000 -0.027 0.000 0.848 484 D CB -0.375 40.426 40.800 0.003 0.000 0.998 484 D HN 0.233 nan 8.370 nan 0.000 0.474 485 V N -0.904 119.015 119.914 0.009 0.000 2.591 485 V HA -0.056 4.064 4.120 -0.000 0.000 0.249 485 V C 2.473 178.572 176.094 0.008 0.000 1.053 485 V CA 0.908 63.246 62.300 0.063 0.000 1.068 485 V CB -0.868 31.047 31.823 0.153 0.000 0.689 485 V HN -0.068 nan 8.190 nan 0.000 0.462 486 K N 0.614 120.942 120.400 -0.121 0.000 2.059 486 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 486 K C 2.362 178.747 176.600 -0.358 0.000 1.050 486 K CA 2.252 58.297 56.287 -0.403 0.000 0.927 486 K CB -0.257 31.880 32.500 -0.605 0.000 0.714 486 K HN 0.444 nan 8.250 nan 0.000 0.447 487 R N 0.720 121.096 120.500 -0.207 0.000 2.335 487 R HA -0.036 4.304 4.340 -0.000 0.000 0.223 487 R C 1.478 177.778 176.300 -0.000 0.000 0.940 487 R CA 0.344 56.377 56.100 -0.112 0.000 1.086 487 R CB 0.260 30.505 30.300 -0.092 0.000 1.073 487 R HN 0.248 nan 8.270 nan 0.000 0.504 488 E N -0.140 120.076 120.200 0.026 0.000 2.134 488 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 488 E C 1.604 178.292 176.600 0.145 0.000 0.937 488 E CA 0.053 56.504 56.400 0.085 0.000 0.874 488 E CB 0.073 29.824 29.700 0.084 0.000 0.853 488 E HN 0.257 nan 8.360 nan 0.000 0.471 489 L N 1.301 122.626 121.223 0.170 0.000 2.042 489 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 489 L C 2.519 179.491 176.870 0.171 0.000 1.076 489 L CA 1.420 56.374 54.840 0.190 0.000 0.749 489 L CB -0.534 41.664 42.059 0.232 0.000 0.893 489 L HN 0.227 nan 8.230 nan 0.000 0.432 490 Q N -0.018 119.895 119.800 0.189 0.000 2.449 490 Q HA -0.223 4.117 4.340 -0.000 0.000 0.214 490 Q C 1.598 177.795 176.000 0.329 0.000 0.986 490 Q CA 1.192 57.101 55.803 0.178 0.000 0.893 490 Q CB -0.126 28.690 28.738 0.129 0.000 0.940 490 Q HN 0.637 nan 8.270 nan 0.000 0.477 491 E N -0.303 120.150 120.200 0.422 0.000 2.415 491 E HA 0.043 4.393 4.350 -0.000 0.000 0.197 491 E C 1.300 178.203 176.600 0.504 0.000 1.007 491 E CA 0.178 56.931 56.400 0.590 0.000 0.890 491 E CB 0.415 30.252 29.700 0.228 0.000 0.891 491 E HN 0.308 nan 8.360 nan 0.000 0.496 492 L N 0.655 122.078 121.223 0.334 0.000 2.640 492 L HA 0.094 4.434 4.340 -0.000 0.000 0.230 492 L C 1.600 178.565 176.870 0.158 0.000 1.123 492 L CA 0.048 55.052 54.840 0.274 0.000 0.900 492 L CB 0.549 42.764 42.059 0.259 0.000 1.146 492 L HN 0.075 nan 8.230 nan 0.000 0.484 493 V N -6.396 113.598 119.914 0.134 0.000 3.359 493 V HA 0.121 4.241 4.120 -0.000 0.000 0.204 493 V C 1.691 177.816 176.094 0.052 0.000 1.410 493 V CA -0.336 61.969 62.300 0.008 0.000 1.303 493 V CB -0.038 31.656 31.823 -0.216 0.000 1.198 493 V HN -0.016 nan 8.190 nan 0.000 0.531 494 Q N -0.297 119.514 119.800 0.020 0.000 2.561 494 Q HA -0.010 4.330 4.340 -0.000 0.000 0.217 494 Q C 1.507 177.381 176.000 -0.211 0.000 0.980 494 Q CA 1.683 57.408 55.803 -0.130 0.000 0.927 494 Q CB -0.103 28.503 28.738 -0.221 0.000 0.980 494 Q HN 0.921 nan 8.270 nan 0.000 0.525 495 Y N -1.100 119.375 120.300 0.292 0.000 2.589 495 Y HA 0.102 4.652 4.550 -0.000 0.000 0.271 495 Y C -0.987 175.250 175.900 0.561 0.000 1.107 495 Y CA -0.151 58.228 58.100 0.465 0.000 1.273 495 Y CB -0.147 38.567 38.460 0.423 0.000 1.266 495 Y HN 0.091 nan 8.280 nan 0.000 0.504 496 P HA 0.057 nan 4.420 nan 0.000 0.255 496 P C 1.110 178.492 177.300 0.136 0.000 1.248 496 P CA 0.804 64.057 63.100 0.255 0.000 0.807 496 P CB 1.039 32.549 31.700 -0.317 0.000 1.150 497 V N -0.380 119.602 119.914 0.114 0.000 3.212 497 V HA 0.144 4.264 4.120 -0.000 0.000 0.244 497 V C 1.865 177.962 176.094 0.004 0.000 1.151 497 V CA 1.171 63.495 62.300 0.041 0.000 1.119 497 V CB 0.030 31.857 31.823 0.006 0.000 0.838 497 V HN -0.096 nan 8.190 nan 0.000 0.470 498 E N -1.236 118.938 120.200 -0.045 0.000 2.290 498 E HA 0.148 4.498 4.350 -0.000 0.000 0.197 498 E C 0.069 176.511 176.600 -0.264 0.000 0.948 498 E CA 0.072 56.349 56.400 -0.206 0.000 0.895 498 E CB 0.298 29.777 29.700 -0.369 0.000 0.865 498 E HN 0.567 nan 8.360 nan 0.000 0.486 499 H N 1.286 120.454 119.070 0.162 0.000 2.486 499 H HA 0.144 4.700 4.556 -0.000 0.000 0.239 499 H C -1.801 173.683 175.328 0.261 0.000 1.480 499 H CA -1.838 54.330 56.048 0.199 0.000 1.324 499 H CB 0.877 30.790 29.762 0.253 0.000 1.486 499 H HN 0.151 nan 8.280 nan 0.000 0.544 500 P HA -0.122 nan 4.420 nan 0.000 0.217 500 P C 1.019 178.461 177.300 0.237 0.000 1.154 500 P CA 0.997 64.239 63.100 0.237 0.000 0.841 500 P CB 0.549 32.331 31.700 0.137 0.000 0.788 501 D N 0.593 121.100 120.400 0.178 0.000 2.224 501 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 501 D C 1.594 177.949 176.300 0.092 0.000 0.965 501 D CA 1.063 55.133 54.000 0.118 0.000 0.852 501 D CB -0.956 39.889 40.800 0.074 0.000 0.947 501 D HN 0.051 nan 8.370 nan 0.000 0.494 502 K N -1.004 119.467 120.400 0.119 0.000 2.574 502 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 502 K C 0.488 177.071 176.600 -0.028 0.000 1.035 502 K CA 0.277 56.563 56.287 -0.002 0.000 0.982 502 K CB -0.346 32.153 32.500 -0.003 0.000 0.795 502 K HN 0.147 nan 8.250 nan 0.000 0.491 503 F N -1.024 119.006 119.950 0.134 0.000 2.639 503 F HA 0.206 4.733 4.527 -0.000 0.000 0.302 503 F C 0.364 176.235 175.800 0.118 0.000 1.097 503 F CA -0.093 58.014 58.000 0.179 0.000 1.294 503 F CB 0.665 39.769 39.000 0.173 0.000 1.027 503 F HN -0.141 nan 8.300 nan 0.000 0.550 504 L N -0.771 120.556 121.223 0.173 0.000 3.184 504 L HA 0.237 4.577 4.340 -0.000 0.000 0.283 504 L C 1.174 178.027 176.870 -0.028 0.000 1.218 504 L CA 0.343 55.240 54.840 0.096 0.000 1.028 504 L CB 0.109 42.216 42.059 0.080 0.000 1.400 504 L HN -0.153 nan 8.230 nan 0.000 0.591 505 K N -1.422 118.866 120.400 -0.186 0.000 2.373 505 K HA 0.284 4.604 4.320 -0.000 0.000 0.202 505 K C 0.483 176.723 176.600 -0.600 0.000 1.025 505 K CA 0.316 56.350 56.287 -0.421 0.000 1.115 505 K CB 0.507 32.642 32.500 -0.608 0.000 0.858 505 K HN 0.092 nan 8.250 nan 0.000 0.525 506 F N -1.239 118.714 119.950 0.004 0.000 2.729 506 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 506 F C 1.598 177.416 175.800 0.029 0.000 1.008 506 F CA 0.373 58.373 58.000 0.000 0.000 1.188 506 F CB 0.960 39.944 39.000 -0.025 0.000 0.980 506 F HN 0.114 nan 8.300 nan 0.000 0.627 507 G N 0.959 109.892 108.800 0.222 0.000 2.493 507 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 507 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 507 G C 0.551 175.550 174.900 0.164 0.000 1.109 507 G CA -0.120 45.073 45.100 0.154 0.000 0.689 507 G HN 0.252 nan 8.290 nan 0.000 0.516 508 M N 2.146 121.862 119.600 0.192 0.000 2.250 508 M HA 0.553 5.033 4.480 -0.000 0.000 0.325 508 M C 0.474 176.898 176.300 0.205 0.000 1.084 508 M CA 0.825 56.225 55.300 0.167 0.000 1.161 508 M CB 0.384 33.072 32.600 0.147 0.000 1.481 508 M HN 0.630 nan 8.290 nan 0.000 0.449 509 T N -0.031 114.603 114.554 0.134 0.000 2.855 509 T HA 0.721 5.071 4.350 -0.000 0.000 0.281 509 T C -2.386 172.341 174.700 0.045 0.000 1.007 509 T CA -1.519 60.633 62.100 0.087 0.000 1.009 509 T CB 0.866 69.763 68.868 0.049 0.000 0.983 509 T HN 0.616 nan 8.240 nan 0.000 0.455 510 P HA 0.183 nan 4.420 nan 0.000 0.269 510 P C -0.116 177.191 177.300 0.012 0.000 1.211 510 P CA -0.340 62.703 63.100 -0.095 0.000 0.781 510 P CB 0.262 31.793 31.700 -0.282 0.000 0.877 511 S N 0.648 116.391 115.700 0.071 0.000 2.565 511 S HA 0.190 4.659 4.470 -0.000 0.000 0.276 511 S C 0.698 175.331 174.600 0.055 0.000 1.326 511 S CA -0.483 57.758 58.200 0.069 0.000 1.045 511 S CB 1.103 64.363 63.200 0.099 0.000 0.918 511 S HN 0.317 nan 8.310 nan 0.000 0.505 512 K N 1.662 122.051 120.400 -0.019 0.000 2.305 512 K HA 0.241 4.561 4.320 -0.000 0.000 0.199 512 K C 1.006 177.465 176.600 -0.236 0.000 1.047 512 K CA 0.579 56.828 56.287 -0.063 0.000 0.976 512 K CB 0.035 32.506 32.500 -0.049 0.000 0.765 512 K HN 0.813 nan 8.250 nan 0.000 0.474 513 G N -0.293 108.338 108.800 -0.281 0.000 2.606 513 G HA2 0.527 4.487 3.960 -0.000 0.000 0.300 513 G HA3 0.527 4.487 3.960 -0.000 0.000 0.300 513 G C -1.605 173.114 174.900 -0.302 0.000 1.360 513 G CA -0.569 44.254 45.100 -0.462 0.000 0.783 513 G HN -0.117 nan 8.290 nan 0.000 0.484 514 V N -0.551 119.218 119.914 -0.241 0.000 3.232 514 V HA 0.717 4.837 4.120 -0.000 0.000 0.303 514 V C -1.143 174.872 176.094 -0.131 0.000 1.311 514 V CA -0.739 61.482 62.300 -0.131 0.000 1.061 514 V CB 2.238 34.063 31.823 0.002 0.000 1.085 514 V HN 0.846 nan 8.190 nan 0.000 0.447 515 L N 1.398 122.446 121.223 -0.292 0.000 2.431 515 L HA 0.701 5.041 4.340 -0.000 0.000 0.266 515 L C -2.053 174.504 176.870 -0.521 0.000 0.978 515 L CA -0.341 54.382 54.840 -0.195 0.000 0.822 515 L CB 2.137 44.181 42.059 -0.024 0.000 1.310 515 L HN 0.627 nan 8.230 nan 0.000 0.409 516 F N 4.623 124.595 119.950 0.036 0.000 2.430 516 F HA 0.414 4.941 4.527 -0.000 0.000 0.362 516 F C -0.442 175.374 175.800 0.027 0.000 1.103 516 F CA -0.631 57.333 58.000 -0.060 0.000 1.045 516 F CB 0.929 39.967 39.000 0.063 0.000 1.276 516 F HN 0.259 nan 8.300 nan 0.000 0.444 517 Y N 0.487 120.980 120.300 0.322 0.000 2.567 517 Y HA 1.010 5.560 4.550 -0.000 0.000 0.333 517 Y C 0.248 176.380 175.900 0.387 0.000 1.106 517 Y CA -2.068 56.188 58.100 0.261 0.000 1.157 517 Y CB 1.288 39.827 38.460 0.132 0.000 1.277 517 Y HN 0.768 nan 8.280 nan 0.000 0.490 518 G N 0.036 109.162 108.800 0.544 0.000 2.340 518 G HA2 0.236 4.196 3.960 -0.000 0.000 0.282 518 G HA3 0.236 4.196 3.960 -0.000 0.000 0.282 518 G C -3.420 171.637 174.900 0.262 0.000 1.312 518 G CA -1.009 44.422 45.100 0.551 0.000 0.942 518 G HN 0.630 nan 8.290 nan 0.000 0.495 519 P HA 0.338 nan 4.420 nan 0.000 0.274 519 P C -2.421 174.926 177.300 0.079 0.000 1.231 519 P CA -0.911 62.255 63.100 0.111 0.000 0.790 519 P CB 0.809 32.566 31.700 0.093 0.000 0.951 520 P HA -0.065 nan 4.420 nan 0.000 0.271 520 P C 0.790 178.114 177.300 0.041 0.000 1.238 520 P CA 0.652 63.786 63.100 0.057 0.000 0.794 520 P CB -0.238 31.491 31.700 0.049 0.000 0.959 521 G N 0.030 108.853 108.800 0.037 0.000 2.361 521 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.294 521 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.294 521 G C 1.098 176.003 174.900 0.008 0.000 1.004 521 G CA 0.302 45.415 45.100 0.022 0.000 0.870 521 G HN 0.671 nan 8.290 nan 0.000 0.510 522 C N -1.983 117.320 119.300 0.006 0.000 2.507 522 C HA 0.539 4.999 4.460 -0.000 0.000 0.280 522 C C 2.491 177.455 174.990 -0.043 0.000 1.345 522 C CA 1.906 60.911 59.018 -0.023 0.000 1.736 522 C CB -0.559 27.161 27.740 -0.032 0.000 2.060 522 C HN 1.806 nan 8.230 nan 0.000 0.498 523 G N -0.250 108.523 108.800 -0.045 0.000 2.551 523 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.186 523 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.186 523 G C 0.964 175.772 174.900 -0.153 0.000 1.002 523 G CA 0.329 45.379 45.100 -0.084 0.000 0.723 523 G HN 0.434 nan 8.290 nan 0.000 0.481 524 K N 0.458 120.770 120.400 -0.146 0.000 2.044 524 K HA -0.216 4.104 4.320 -0.000 0.000 0.224 524 K C 2.457 178.812 176.600 -0.409 0.000 1.056 524 K CA 2.440 58.563 56.287 -0.274 0.000 0.962 524 K CB -0.846 31.658 32.500 0.007 0.000 0.730 524 K HN 0.349 nan 8.250 nan 0.000 0.453 525 T N 2.253 116.669 114.554 -0.230 0.000 2.555 525 T HA -0.163 4.187 4.350 -0.000 0.000 0.264 525 T C 1.813 176.281 174.700 -0.388 0.000 1.083 525 T CA 1.646 63.548 62.100 -0.330 0.000 1.179 525 T CB -0.473 68.415 68.868 0.033 0.000 0.863 525 T HN 0.168 nan 8.240 nan 0.000 0.412 526 L N 0.685 121.765 121.223 -0.239 0.000 2.661 526 L HA -0.086 4.254 4.340 -0.000 0.000 0.236 526 L C 2.038 178.721 176.870 -0.312 0.000 1.176 526 L CA 0.660 55.357 54.840 -0.240 0.000 0.836 526 L CB -0.717 41.255 42.059 -0.144 0.000 0.960 526 L HN 0.296 nan 8.230 nan 0.000 0.455 527 L N -1.360 119.632 121.223 -0.385 0.000 2.269 527 L HA 0.103 4.443 4.340 -0.000 0.000 0.200 527 L C 2.785 179.351 176.870 -0.507 0.000 1.069 527 L CA 0.682 55.289 54.840 -0.388 0.000 0.804 527 L CB -0.569 41.246 42.059 -0.406 0.000 0.987 527 L HN 0.107 nan 8.230 nan 0.000 0.468 528 A N 0.592 123.020 122.820 -0.652 0.000 1.933 528 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 528 A C 2.244 179.335 177.584 -0.821 0.000 1.175 528 A CA 1.608 53.253 52.037 -0.653 0.000 0.628 528 A CB -0.304 18.113 19.000 -0.973 0.000 0.814 528 A HN 0.314 nan 8.150 nan 0.000 0.444 529 K N -0.493 119.327 120.400 -0.967 0.000 2.228 529 K HA 0.149 4.469 4.320 -0.000 0.000 0.202 529 K C 2.200 178.406 176.600 -0.658 0.000 1.051 529 K CA 0.733 56.387 56.287 -1.055 0.000 0.960 529 K CB -0.152 31.895 32.500 -0.755 0.000 0.743 529 K HN 0.435 nan 8.250 nan 0.000 0.458 530 A N 1.840 124.296 122.820 -0.607 0.000 1.843 530 A HA -0.090 4.230 4.320 -0.000 0.000 0.213 530 A C 1.982 179.105 177.584 -0.768 0.000 1.202 530 A CA 0.839 52.469 52.037 -0.678 0.000 0.607 530 A CB -0.407 18.149 19.000 -0.740 0.000 0.847 530 A HN 0.062 nan 8.150 nan 0.000 0.445 531 I N 0.487 120.646 120.570 -0.685 0.000 2.290 531 I HA -0.338 3.831 4.170 -0.000 0.000 0.253 531 I C 2.709 178.619 176.117 -0.346 0.000 1.112 531 I CA 1.722 62.743 61.300 -0.464 0.000 1.377 531 I CB -1.539 36.326 38.000 -0.226 0.000 1.060 531 I HN 0.395 nan 8.210 nan 0.000 0.428 532 A N 0.844 123.465 122.820 -0.332 0.000 1.930 532 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 532 A C 2.116 179.574 177.584 -0.211 0.000 1.176 532 A CA 1.567 53.481 52.037 -0.205 0.000 0.632 532 A CB -0.823 18.097 19.000 -0.134 0.000 0.819 532 A HN 0.491 nan 8.150 nan 0.000 0.445 533 N N 0.169 118.689 118.700 -0.300 0.000 2.149 533 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 533 N C 1.388 176.760 175.510 -0.229 0.000 1.019 533 N CA 1.831 54.723 53.050 -0.263 0.000 0.857 533 N CB -0.262 38.025 38.487 -0.333 0.000 0.997 533 N HN 0.390 nan 8.380 nan 0.000 0.426 534 E N -1.349 118.683 120.200 -0.280 0.000 2.516 534 E HA 0.067 4.417 4.350 -0.000 0.000 0.199 534 E C 0.284 176.822 176.600 -0.102 0.000 1.069 534 E CA 0.400 56.703 56.400 -0.162 0.000 0.876 534 E CB -0.158 29.490 29.700 -0.088 0.000 0.843 534 E HN 0.504 nan 8.360 nan 0.000 0.530 535 C N -0.346 118.886 119.300 -0.114 0.000 3.642 535 C HA 0.213 4.673 4.460 -0.000 0.000 0.305 535 C C 0.127 175.079 174.990 -0.063 0.000 1.492 535 C CA -0.588 58.382 59.018 -0.080 0.000 1.809 535 C CB 0.082 27.775 27.740 -0.078 0.000 2.639 535 C HN 0.264 nan 8.230 nan 0.000 0.672 536 Q N 0.210 119.966 119.800 -0.074 0.000 2.450 536 Q HA -0.230 4.110 4.340 -0.000 0.000 0.255 536 Q C 0.220 176.202 176.000 -0.030 0.000 1.003 536 Q CA 1.273 57.043 55.803 -0.055 0.000 1.097 536 Q CB -1.772 26.939 28.738 -0.044 0.000 1.544 536 Q HN 0.851 nan 8.270 nan 0.000 0.531 537 A N 0.636 123.442 122.820 -0.024 0.000 2.306 537 A HA 0.544 4.864 4.320 -0.000 0.000 0.314 537 A C 0.798 178.409 177.584 0.044 0.000 1.164 537 A CA -0.537 51.509 52.037 0.014 0.000 0.822 537 A CB 0.622 19.637 19.000 0.025 0.000 1.130 537 A HN 0.219 nan 8.150 nan 0.000 0.496 538 N N -0.315 118.426 118.700 0.069 0.000 2.204 538 N HA 0.213 4.953 4.740 -0.000 0.000 0.232 538 N C -0.840 174.805 175.510 0.225 0.000 1.340 538 N CA 0.914 54.030 53.050 0.109 0.000 0.883 538 N CB 0.068 38.601 38.487 0.077 0.000 1.109 538 N HN 0.604 nan 8.380 nan 0.000 0.470 539 F N -0.671 119.285 119.950 0.010 0.000 2.668 539 F HA 0.564 5.091 4.527 -0.000 0.000 0.309 539 F C -1.507 174.310 175.800 0.028 0.000 1.117 539 F CA -0.891 57.123 58.000 0.024 0.000 0.951 539 F CB 1.102 40.105 39.000 0.004 0.000 1.323 539 F HN 0.250 nan 8.300 nan 0.000 0.451 540 I N 3.504 123.412 120.570 -1.102 0.000 2.497 540 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 540 I C -0.839 174.597 176.117 -1.136 0.000 1.060 540 I CA -0.624 60.176 61.300 -0.834 0.000 1.071 540 I CB 1.937 39.660 38.000 -0.461 0.000 1.216 540 I HN 0.544 nan 8.210 nan 0.000 0.442 541 S N 7.814 123.079 115.700 -0.726 0.000 2.695 541 S HA 0.505 4.975 4.470 -0.000 0.000 0.275 541 S C -0.172 174.294 174.600 -0.223 0.000 1.203 541 S CA -0.489 57.533 58.200 -0.296 0.000 1.061 541 S CB -0.273 63.007 63.200 0.134 0.000 1.152 541 S HN 0.446 nan 8.310 nan 0.000 0.495 542 I N 5.412 125.741 120.570 -0.401 0.000 2.269 542 I HA 0.191 4.361 4.170 -0.000 0.000 0.293 542 I C 0.588 176.536 176.117 -0.280 0.000 1.106 542 I CA -0.423 60.641 61.300 -0.394 0.000 1.248 542 I CB 0.305 37.840 38.000 -0.775 0.000 1.444 542 I HN 0.349 nan 8.210 nan 0.000 0.497 543 K N 3.670 124.004 120.400 -0.110 0.000 2.414 543 K HA 0.110 4.430 4.320 -0.000 0.000 0.272 543 K C 1.352 177.924 176.600 -0.047 0.000 0.993 543 K CA 0.131 56.379 56.287 -0.065 0.000 0.964 543 K CB 0.942 33.448 32.500 0.010 0.000 0.925 543 K HN 0.713 nan 8.250 nan 0.000 0.487 544 G N 3.003 111.780 108.800 -0.037 0.000 2.511 544 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 544 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 544 G C -1.022 173.887 174.900 0.014 0.000 1.218 544 G CA 0.481 45.576 45.100 -0.009 0.000 0.788 544 G HN 0.532 nan 8.290 nan 0.000 0.560 545 P HA -0.116 nan 4.420 nan 0.000 0.220 545 P C 1.282 178.623 177.300 0.069 0.000 1.144 545 P CA 1.540 64.663 63.100 0.038 0.000 0.808 545 P CB 0.081 31.801 31.700 0.034 0.000 0.763 546 E N -1.550 118.705 120.200 0.092 0.000 2.110 546 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 546 E C 1.839 178.619 176.600 0.299 0.000 0.950 546 E CA 0.180 56.720 56.400 0.234 0.000 0.840 546 E CB -0.490 29.391 29.700 0.301 0.000 0.809 546 E HN 0.038 nan 8.360 nan 0.000 0.465 547 L N 0.824 122.008 121.223 -0.065 0.000 1.941 547 L HA -0.281 4.059 4.340 -0.000 0.000 0.224 547 L C 2.415 179.256 176.870 -0.048 0.000 1.081 547 L CA 1.453 56.093 54.840 -0.335 0.000 0.784 547 L CB -1.047 40.849 42.059 -0.271 0.000 0.894 547 L HN 0.163 nan 8.230 nan 0.000 0.436 548 L N -1.009 120.212 121.223 -0.002 0.000 1.997 548 L HA -0.330 4.010 4.340 -0.000 0.000 0.227 548 L C 2.529 179.452 176.870 0.088 0.000 1.087 548 L CA 2.194 57.057 54.840 0.038 0.000 0.797 548 L CB -1.256 40.820 42.059 0.028 0.000 0.902 548 L HN 0.415 nan 8.230 nan 0.000 0.441 549 T N -1.301 113.318 114.554 0.109 0.000 2.739 549 T HA -0.025 4.325 4.350 -0.000 0.000 0.246 549 T C 1.579 176.341 174.700 0.102 0.000 1.058 549 T CA 0.781 62.932 62.100 0.085 0.000 1.184 549 T CB -0.079 68.823 68.868 0.058 0.000 0.887 549 T HN 0.064 nan 8.240 nan 0.000 0.408 550 M N -0.243 119.447 119.600 0.150 0.000 2.563 550 M HA 0.223 4.703 4.480 -0.000 0.000 0.231 550 M C 0.385 176.621 176.300 -0.107 0.000 1.136 550 M CA 0.076 55.370 55.300 -0.008 0.000 1.026 550 M CB -0.926 31.635 32.600 -0.064 0.000 1.597 550 M HN 0.342 nan 8.290 nan 0.000 0.495 551 W N -0.628 120.613 121.300 -0.098 0.000 3.549 551 W HA 0.238 4.898 4.660 -0.000 0.000 0.260 551 W C -0.153 176.236 176.519 -0.216 0.000 1.572 551 W CA 0.453 57.774 57.345 -0.040 0.000 2.140 551 W CB -0.052 29.469 29.460 0.102 0.000 1.431 551 W HN -0.186 nan 8.180 nan 0.000 0.525 552 F N -0.203 119.915 119.950 0.280 0.000 2.596 552 F HA 0.536 5.063 4.527 -0.000 0.000 0.311 552 F C 0.713 176.573 175.800 0.099 0.000 1.116 552 F CA -1.444 56.641 58.000 0.141 0.000 0.957 552 F CB 0.689 39.765 39.000 0.126 0.000 1.250 552 F HN 0.027 nan 8.300 nan 0.000 0.444 553 G N 0.977 109.900 108.800 0.206 0.000 2.690 553 G HA2 0.299 4.259 3.960 -0.000 0.000 0.239 553 G HA3 0.299 4.259 3.960 -0.000 0.000 0.239 553 G C -0.226 174.749 174.900 0.126 0.000 1.233 553 G CA -0.414 44.762 45.100 0.128 0.000 0.847 553 G HN 0.692 nan 8.290 nan 0.000 0.588 554 E N -0.814 119.435 120.200 0.081 0.000 2.160 554 E HA -0.203 4.147 4.350 -0.000 0.000 0.180 554 E C 0.788 177.427 176.600 0.066 0.000 1.452 554 E CA 1.196 57.633 56.400 0.061 0.000 0.683 554 E CB -2.012 27.719 29.700 0.052 0.000 1.072 554 E HN 0.781 nan 8.360 nan 0.000 0.332 555 S N -0.679 115.061 115.700 0.066 0.000 2.457 555 S HA 0.176 4.646 4.470 -0.000 0.000 0.237 555 S C 0.999 175.609 174.600 0.016 0.000 1.213 555 S CA -0.512 57.724 58.200 0.059 0.000 1.218 555 S CB 0.575 63.842 63.200 0.111 0.000 0.922 555 S HN 0.238 nan 8.310 nan 0.000 0.488 556 E N 1.322 121.532 120.200 0.016 0.000 2.409 556 E HA -0.035 4.315 4.350 -0.000 0.000 0.198 556 E C 1.299 177.906 176.600 0.010 0.000 1.024 556 E CA 1.104 57.510 56.400 0.010 0.000 0.861 556 E CB -0.495 29.212 29.700 0.012 0.000 0.788 556 E HN 0.675 nan 8.360 nan 0.000 0.521 557 A N 1.298 124.123 122.820 0.008 0.000 1.984 557 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 557 A C 1.795 179.371 177.584 -0.014 0.000 1.173 557 A CA 0.752 52.789 52.037 0.001 0.000 0.673 557 A CB -0.369 18.630 19.000 -0.002 0.000 0.830 557 A HN 0.197 nan 8.150 nan 0.000 0.453 558 N N 0.461 119.148 118.700 -0.021 0.000 2.272 558 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 558 N C 1.436 176.880 175.510 -0.110 0.000 1.014 558 N CA 1.494 54.512 53.050 -0.052 0.000 0.870 558 N CB -0.401 38.077 38.487 -0.015 0.000 0.975 558 N HN 0.284 nan 8.380 nan 0.000 0.433 559 V N 0.794 120.663 119.914 -0.075 0.000 2.307 559 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 559 V C 2.355 178.488 176.094 0.066 0.000 1.045 559 V CA 1.582 63.850 62.300 -0.052 0.000 1.024 559 V CB -0.528 31.312 31.823 0.029 0.000 0.651 559 V HN 0.333 nan 8.190 nan 0.000 0.449 560 R N 0.277 120.843 120.500 0.110 0.000 2.120 560 R HA -0.207 4.133 4.340 -0.000 0.000 0.234 560 R C 2.331 178.695 176.300 0.106 0.000 1.123 560 R CA 1.730 57.931 56.100 0.167 0.000 0.975 560 R CB -0.296 30.046 30.300 0.069 0.000 0.866 560 R HN 0.603 nan 8.270 nan 0.000 0.446 561 E N 0.922 121.123 120.200 0.002 0.000 2.110 561 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 561 E C 1.963 178.517 176.600 -0.077 0.000 0.988 561 E CA 1.350 57.715 56.400 -0.060 0.000 0.804 561 E CB -0.093 29.558 29.700 -0.081 0.000 0.745 561 E HN 0.480 nan 8.360 nan 0.000 0.458 562 I N 0.157 120.645 120.570 -0.136 0.000 2.163 562 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 562 I C 2.198 178.182 176.117 -0.221 0.000 1.085 562 I CA 1.138 62.282 61.300 -0.260 0.000 1.347 562 I CB -0.379 37.340 38.000 -0.467 0.000 1.044 562 I HN 0.054 nan 8.210 nan 0.000 0.408 563 F N 0.852 120.766 119.950 -0.059 0.000 2.234 563 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 563 F C 2.278 178.057 175.800 -0.035 0.000 1.087 563 F CA 1.596 59.581 58.000 -0.025 0.000 1.340 563 F CB -0.566 38.432 39.000 -0.003 0.000 1.031 563 F HN 0.145 nan 8.300 nan 0.000 0.500 564 D N 0.657 121.123 120.400 0.110 0.000 2.084 564 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 564 D C 1.916 178.212 176.300 -0.007 0.000 0.990 564 D CA 1.281 55.294 54.000 0.022 0.000 0.826 564 D CB -0.212 40.546 40.800 -0.071 0.000 0.971 564 D HN 0.158 nan 8.370 nan 0.000 0.453 565 K N -0.827 119.548 120.400 -0.042 0.000 2.551 565 K HA 0.127 4.447 4.320 -0.000 0.000 0.192 565 K C 1.218 177.803 176.600 -0.024 0.000 1.027 565 K CA 0.450 56.715 56.287 -0.037 0.000 1.059 565 K CB 0.133 32.605 32.500 -0.047 0.000 0.831 565 K HN 0.135 nan 8.250 nan 0.000 0.508 566 A N 0.661 123.478 122.820 -0.004 0.000 1.963 566 A HA 0.029 4.349 4.320 -0.000 0.000 0.211 566 A C 1.915 179.541 177.584 0.070 0.000 1.380 566 A CA 0.128 52.173 52.037 0.012 0.000 0.690 566 A CB -0.402 18.599 19.000 0.001 0.000 1.060 566 A HN 0.254 nan 8.150 nan 0.000 0.498 567 R N -0.508 120.059 120.500 0.112 0.000 2.159 567 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 567 R C 2.204 178.548 176.300 0.073 0.000 1.131 567 R CA 1.663 57.825 56.100 0.103 0.000 0.982 567 R CB -0.133 30.230 30.300 0.104 0.000 0.868 567 R HN 0.594 nan 8.270 nan 0.000 0.453 568 Q N 0.428 120.263 119.800 0.059 0.000 2.083 568 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 568 Q C 1.202 177.229 176.000 0.045 0.000 0.969 568 Q CA 1.659 57.491 55.803 0.049 0.000 0.838 568 Q CB -0.021 28.741 28.738 0.038 0.000 0.900 568 Q HN 0.387 nan 8.270 nan 0.000 0.436 569 A N 0.579 123.423 122.820 0.040 0.000 2.265 569 A HA 0.435 4.755 4.320 -0.000 0.000 0.213 569 A C 0.758 178.369 177.584 0.046 0.000 1.255 569 A CA 0.505 52.564 52.037 0.037 0.000 0.862 569 A CB -0.655 18.360 19.000 0.025 0.000 0.852 569 A HN 0.362 nan 8.150 nan 0.000 0.484 570 A N 0.844 123.696 122.820 0.054 0.000 2.425 570 A HA 0.520 4.840 4.320 -0.000 0.000 0.242 570 A C -2.137 175.476 177.584 0.048 0.000 1.077 570 A CA -0.965 51.108 52.037 0.061 0.000 0.781 570 A CB -0.399 18.642 19.000 0.068 0.000 1.020 570 A HN 0.309 nan 8.150 nan 0.000 0.494 571 P HA 0.395 nan 4.420 nan 0.000 0.268 571 P C -0.540 176.804 177.300 0.073 0.000 1.205 571 P CA -0.095 63.040 63.100 0.058 0.000 0.771 571 P CB 0.537 32.261 31.700 0.039 0.000 0.858 572 C N 2.561 121.924 119.300 0.105 0.000 3.312 572 C HA 0.643 5.103 4.460 -0.000 0.000 0.332 572 C C -1.433 173.683 174.990 0.211 0.000 1.340 572 C CA -0.439 58.660 59.018 0.135 0.000 1.265 572 C CB 1.116 28.918 27.740 0.104 0.000 1.563 572 C HN 0.534 nan 8.230 nan 0.000 0.471 573 V N 2.771 122.851 119.914 0.277 0.000 2.531 573 V HA 0.792 4.912 4.120 -0.000 0.000 0.301 573 V C -0.895 175.436 176.094 0.395 0.000 1.034 573 V CA -0.528 62.027 62.300 0.424 0.000 0.865 573 V CB 1.232 33.313 31.823 0.431 0.000 0.995 573 V HN 0.878 nan 8.190 nan 0.000 0.424 574 L N 4.985 126.409 121.223 0.336 0.000 2.375 574 L HA 0.842 5.181 4.340 -0.000 0.000 0.268 574 L C -0.803 176.308 176.870 0.403 0.000 1.058 574 L CA -0.392 54.547 54.840 0.165 0.000 0.803 574 L CB 1.598 43.740 42.059 0.138 0.000 1.212 574 L HN 0.848 nan 8.230 nan 0.000 0.451 575 F N 3.588 123.535 119.950 -0.005 0.000 2.722 575 F HA 0.426 4.953 4.527 -0.000 0.000 0.336 575 F C -1.790 174.038 175.800 0.047 0.000 1.216 575 F CA -1.011 57.122 58.000 0.222 0.000 1.065 575 F CB 0.908 40.181 39.000 0.456 0.000 1.325 575 F HN 0.190 nan 8.300 nan 0.000 0.524 576 F N 4.546 124.224 119.950 -0.454 0.000 2.309 576 F HA 0.283 4.810 4.527 -0.000 0.000 0.366 576 F C 0.315 175.674 175.800 -0.734 0.000 1.104 576 F CA -1.019 56.684 58.000 -0.495 0.000 1.179 576 F CB 0.247 39.097 39.000 -0.251 0.000 1.437 576 F HN 0.383 nan 8.300 nan 0.000 0.528 577 D N 2.403 122.285 120.400 -0.865 0.000 2.382 577 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 577 D C -0.070 176.129 176.300 -0.168 0.000 1.120 577 D CA 0.484 54.129 54.000 -0.592 0.000 0.890 577 D CB 0.487 41.075 40.800 -0.354 0.000 1.201 577 D HN 0.614 nan 8.370 nan 0.000 0.433 578 E N 1.778 121.952 120.200 -0.044 0.000 2.266 578 E HA -0.178 4.172 4.350 -0.000 0.000 0.209 578 E C 0.524 177.126 176.600 0.004 0.000 1.286 578 E CA -0.066 56.338 56.400 0.006 0.000 0.677 578 E CB -1.189 28.516 29.700 0.008 0.000 1.173 578 E HN 0.562 nan 8.360 nan 0.000 0.384 579 L N 0.646 121.879 121.223 0.016 0.000 2.313 579 L HA -0.097 4.243 4.340 -0.000 0.000 0.214 579 L C 2.252 179.126 176.870 0.007 0.000 1.119 579 L CA 1.147 55.992 54.840 0.009 0.000 0.809 579 L CB -0.305 41.756 42.059 0.003 0.000 0.933 579 L HN 0.384 nan 8.230 nan 0.000 0.449 580 D N -0.383 120.027 120.400 0.016 0.000 2.350 580 D HA -0.164 4.476 4.640 -0.000 0.000 0.216 580 D C 1.956 178.259 176.300 0.006 0.000 0.968 580 D CA 1.219 55.223 54.000 0.007 0.000 0.894 580 D CB -0.118 40.685 40.800 0.005 0.000 0.909 580 D HN 0.383 nan 8.370 nan 0.000 0.520 581 S N 0.525 116.230 115.700 0.009 0.000 2.387 581 S HA -0.153 4.317 4.470 -0.000 0.000 0.230 581 S C 1.371 175.975 174.600 0.006 0.000 1.035 581 S CA 0.573 58.779 58.200 0.009 0.000 1.014 581 S CB -0.508 62.699 63.200 0.011 0.000 0.836 581 S HN 0.369 nan 8.310 nan 0.000 0.466 598 D N 1.519 121.914 120.400 -0.008 0.000 2.478 598 D HA 0.491 5.131 4.640 -0.000 0.000 0.274 598 D C 1.241 177.538 176.300 -0.006 0.000 1.234 598 D CA -0.384 53.613 54.000 -0.005 0.000 1.069 598 D CB 0.540 41.338 40.800 -0.003 0.000 1.113 598 D HN 0.388 nan 8.370 nan 0.000 0.571 599 R N -0.637 119.862 120.500 -0.002 0.000 2.065 599 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 599 R C 2.268 178.567 176.300 -0.001 0.000 1.161 599 R CA 1.242 57.341 56.100 -0.000 0.000 0.923 599 R CB -1.094 29.209 30.300 0.004 0.000 0.822 599 R HN 0.301 nan 8.270 nan 0.000 0.437 600 V N 2.132 122.046 119.914 -0.001 0.000 2.226 600 V HA -0.361 3.759 4.120 -0.000 0.000 0.254 600 V C 2.407 178.497 176.094 -0.006 0.000 1.065 600 V CA 2.289 64.588 62.300 -0.002 0.000 1.039 600 V CB -0.710 31.110 31.823 -0.006 0.000 0.653 600 V HN 0.316 nan 8.190 nan 0.000 0.450 601 I N 0.202 120.762 120.570 -0.017 0.000 2.076 601 I HA -0.304 3.866 4.170 -0.000 0.000 0.237 601 I C 2.496 178.593 176.117 -0.033 0.000 1.059 601 I CA 2.474 63.752 61.300 -0.036 0.000 1.317 601 I CB -0.694 37.285 38.000 -0.036 0.000 1.037 601 I HN 0.417 nan 8.210 nan 0.000 0.398 602 N N 0.542 119.228 118.700 -0.024 0.000 2.137 602 N HA -0.294 4.446 4.740 -0.000 0.000 0.190 602 N C 1.793 177.293 175.510 -0.017 0.000 1.017 602 N CA 1.638 54.674 53.050 -0.023 0.000 0.859 602 N CB -0.109 38.368 38.487 -0.017 0.000 1.002 602 N HN 0.267 nan 8.380 nan 0.000 0.428 603 Q N 0.365 120.163 119.800 -0.003 0.000 2.046 603 Q HA 0.056 4.396 4.340 -0.000 0.000 0.200 603 Q C 1.859 177.886 176.000 0.045 0.000 0.975 603 Q CA 1.479 57.291 55.803 0.014 0.000 0.836 603 Q CB -0.328 28.424 28.738 0.023 0.000 0.896 603 Q HN 0.565 nan 8.270 nan 0.000 0.428 604 I N 0.066 120.675 120.570 0.064 0.000 2.454 604 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 604 I C 1.797 177.952 176.117 0.062 0.000 1.156 604 I CA 0.701 62.095 61.300 0.157 0.000 1.433 604 I CB -0.186 37.827 38.000 0.022 0.000 1.082 604 I HN 0.241 nan 8.210 nan 0.000 0.432 605 L N -0.375 120.833 121.223 -0.025 0.000 2.095 605 L HA -0.110 4.230 4.340 -0.000 0.000 0.204 605 L C 2.584 179.401 176.870 -0.088 0.000 1.080 605 L CA 1.158 55.959 54.840 -0.065 0.000 0.759 605 L CB -0.897 41.126 42.059 -0.060 0.000 0.914 605 L HN 0.170 nan 8.230 nan 0.000 0.439 606 T N -0.737 113.773 114.554 -0.073 0.000 2.643 606 T HA -0.158 4.191 4.350 -0.000 0.000 0.264 606 T C 1.600 176.200 174.700 -0.167 0.000 1.045 606 T CA 1.099 63.144 62.100 -0.091 0.000 1.155 606 T CB -0.154 68.680 68.868 -0.058 0.000 0.863 606 T HN 0.229 nan 8.240 nan 0.000 0.420 607 E N 0.510 120.580 120.200 -0.217 0.000 2.515 607 E HA 0.037 4.387 4.350 -0.000 0.000 0.201 607 E C 1.691 177.777 176.600 -0.856 0.000 1.071 607 E CA 0.304 56.416 56.400 -0.479 0.000 0.880 607 E CB -0.185 29.254 29.700 -0.435 0.000 0.828 607 E HN 0.503 nan 8.360 nan 0.000 0.540 608 M N -0.142 119.168 119.600 -0.484 0.000 2.466 608 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 608 M C 1.096 177.255 176.300 -0.236 0.000 1.122 608 M CA 0.826 55.907 55.300 -0.365 0.000 1.157 608 M CB 0.518 33.023 32.600 -0.159 0.000 1.352 608 M HN -0.135 nan 8.290 nan 0.000 0.464 609 D N -0.345 119.943 120.400 -0.187 0.000 2.162 609 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 609 D C 1.689 177.914 176.300 -0.126 0.000 0.964 609 D CA 1.328 55.253 54.000 -0.124 0.000 0.847 609 D CB -0.269 40.476 40.800 -0.091 0.000 0.988 609 D HN 0.473 nan 8.370 nan 0.000 0.480 610 G N 0.611 109.317 108.800 -0.157 0.000 2.776 610 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.209 610 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.209 610 G C 0.819 175.632 174.900 -0.145 0.000 1.145 610 G CA -0.159 44.863 45.100 -0.130 0.000 0.791 610 G HN 0.080 nan 8.290 nan 0.000 0.530 611 M N 2.046 121.531 119.600 -0.192 0.000 2.264 611 M HA 0.253 4.733 4.480 -0.000 0.000 0.340 611 M C 0.450 176.710 176.300 -0.068 0.000 1.420 611 M CA -0.125 55.080 55.300 -0.159 0.000 1.254 611 M CB 0.049 32.522 32.600 -0.212 0.000 1.575 611 M HN 0.005 nan 8.290 nan 0.000 0.452 612 S N 4.061 119.740 115.700 -0.034 0.000 3.159 612 S HA -0.081 4.389 4.470 -0.000 0.000 0.375 612 S C 1.566 176.168 174.600 0.003 0.000 1.068 612 S CA 0.729 58.924 58.200 -0.009 0.000 1.678 612 S CB -0.394 62.811 63.200 0.008 0.000 1.160 612 S HN 0.906 nan 8.310 nan 0.000 0.605 613 T N 4.351 118.902 114.554 -0.005 0.000 2.721 613 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 613 T C 1.103 175.812 174.700 0.015 0.000 1.038 613 T CA 1.421 63.524 62.100 0.004 0.000 1.145 613 T CB -0.226 68.639 68.868 -0.003 0.000 0.858 613 T HN 0.709 nan 8.240 nan 0.000 0.459 614 K N 1.704 122.113 120.400 0.014 0.000 3.322 614 K HA 0.168 4.488 4.320 -0.000 0.000 0.291 614 K C -0.307 176.310 176.600 0.027 0.000 1.131 614 K CA 0.279 56.577 56.287 0.018 0.000 1.185 614 K CB 0.039 32.550 32.500 0.018 0.000 1.338 614 K HN 0.377 nan 8.250 nan 0.000 0.380 615 K N 0.209 120.630 120.400 0.036 0.000 2.551 615 K HA 0.213 4.533 4.320 -0.000 0.000 0.269 615 K C -0.997 175.643 176.600 0.067 0.000 0.949 615 K CA -0.947 55.368 56.287 0.048 0.000 0.849 615 K CB 1.341 33.871 32.500 0.049 0.000 1.411 615 K HN -0.005 nan 8.250 nan 0.000 0.432 616 N N 1.689 120.433 118.700 0.073 0.000 2.670 616 N HA 0.032 4.772 4.740 -0.000 0.000 0.296 616 N C -0.855 174.734 175.510 0.130 0.000 1.216 616 N CA 0.306 53.414 53.050 0.096 0.000 1.123 616 N CB 0.045 38.578 38.487 0.077 0.000 1.459 616 N HN 0.176 nan 8.380 nan 0.000 0.509 617 V N 2.993 123.002 119.914 0.158 0.000 2.462 617 V HA 0.158 4.278 4.120 -0.000 0.000 0.257 617 V C 0.075 176.307 176.094 0.231 0.000 0.944 617 V CA -0.799 61.613 62.300 0.187 0.000 0.903 617 V CB -0.393 31.525 31.823 0.158 0.000 1.128 617 V HN 0.265 nan 8.190 nan 0.000 0.486 618 F N 3.111 123.139 119.950 0.129 0.000 2.480 618 F HA 0.536 5.063 4.527 -0.000 0.000 0.319 618 F C 0.320 176.241 175.800 0.203 0.000 1.230 618 F CA -0.110 57.979 58.000 0.148 0.000 1.285 618 F CB 0.628 39.717 39.000 0.148 0.000 1.208 618 F HN 0.228 nan 8.300 nan 0.000 0.579 619 I N 5.313 125.559 120.570 -0.540 0.000 2.586 619 I HA 0.221 4.391 4.170 -0.000 0.000 0.281 619 I C -0.761 175.280 176.117 -0.126 0.000 1.145 619 I CA -0.199 61.027 61.300 -0.124 0.000 1.073 619 I CB 1.117 39.101 38.000 -0.027 0.000 1.238 619 I HN 0.364 nan 8.210 nan 0.000 0.461 620 I N 3.751 124.496 120.570 0.292 0.000 2.970 620 I HA 0.634 4.804 4.170 -0.000 0.000 0.310 620 I C 1.016 177.437 176.117 0.507 0.000 1.010 620 I CA -0.104 61.498 61.300 0.504 0.000 1.228 620 I CB 1.281 39.743 38.000 0.770 0.000 1.433 620 I HN 0.588 nan 8.210 nan 0.000 0.573 621 G N 0.927 110.047 108.800 0.534 0.000 3.015 621 G HA2 0.859 4.819 3.960 -0.000 0.000 0.281 621 G HA3 0.859 4.819 3.960 -0.000 0.000 0.281 621 G C -1.662 173.523 174.900 0.475 0.000 1.386 621 G CA -0.305 45.004 45.100 0.347 0.000 0.959 621 G HN 0.881 nan 8.290 nan 0.000 0.522 625 R N 1.108 121.557 120.500 -0.085 0.000 2.818 625 R HA 0.351 4.691 4.340 -0.000 0.000 0.258 625 R C -2.492 173.653 176.300 -0.259 0.000 1.797 625 R CA -1.008 54.983 56.100 -0.181 0.000 1.532 625 R CB 1.002 31.252 30.300 -0.084 0.000 1.413 625 R HN -0.169 nan 8.270 nan 0.000 0.622 626 P HA -0.074 nan 4.420 nan 0.000 0.250 626 P C -0.194 176.964 177.300 -0.237 0.000 1.239 626 P CA 0.899 63.715 63.100 -0.474 0.000 0.756 626 P CB 0.326 31.574 31.700 -0.754 0.000 1.013 627 D N -0.449 119.859 120.400 -0.154 0.000 2.468 627 D HA 0.005 4.645 4.640 -0.000 0.000 0.243 627 D C 1.467 177.815 176.300 0.080 0.000 0.994 627 D CA 0.387 54.502 54.000 0.191 0.000 0.932 627 D CB -0.658 40.324 40.800 0.305 0.000 1.078 627 D HN 0.187 nan 8.370 nan 0.000 0.473 628 I N 1.375 121.960 120.570 0.025 0.000 3.535 628 I HA 0.051 4.221 4.170 -0.000 0.000 0.307 628 I C 0.190 176.311 176.117 0.006 0.000 1.200 628 I CA 0.255 61.565 61.300 0.017 0.000 1.193 628 I CB -0.561 37.444 38.000 0.008 0.000 1.003 628 I HN -0.119 nan 8.210 nan 0.000 0.505 629 I N 0.962 121.537 120.570 0.007 0.000 2.330 629 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 629 I C 0.133 176.253 176.117 0.004 0.000 1.001 629 I CA -0.728 60.572 61.300 -0.000 0.000 1.193 629 I CB 1.139 39.134 38.000 -0.009 0.000 1.345 629 I HN 0.005 nan 8.210 nan 0.000 0.461 630 D N 9.205 129.602 120.400 -0.004 0.000 2.412 630 D HA 0.047 4.687 4.640 -0.000 0.000 0.257 630 D C -1.600 174.695 176.300 -0.008 0.000 1.217 630 D CA -1.251 52.745 54.000 -0.007 0.000 0.897 630 D CB 1.173 41.965 40.800 -0.015 0.000 1.132 630 D HN 0.225 nan 8.370 nan 0.000 0.493 631 P HA -0.204 nan 4.420 nan 0.000 0.218 631 P C 0.963 178.257 177.300 -0.011 0.000 1.146 631 P CA 1.617 64.714 63.100 -0.005 0.000 0.820 631 P CB 0.090 31.787 31.700 -0.006 0.000 0.778 632 A N -0.682 122.129 122.820 -0.016 0.000 1.978 632 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 632 A C 2.118 179.685 177.584 -0.028 0.000 1.170 632 A CA 1.488 53.512 52.037 -0.022 0.000 0.636 632 A CB -1.586 17.399 19.000 -0.025 0.000 0.810 632 A HN 0.180 nan 8.150 nan 0.000 0.448 633 I N -0.353 120.199 120.570 -0.030 0.000 2.493 633 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 633 I C 2.052 178.154 176.117 -0.024 0.000 1.160 633 I CA 0.802 62.078 61.300 -0.040 0.000 1.445 633 I CB -0.242 37.732 38.000 -0.043 0.000 1.086 633 I HN 0.316 nan 8.210 nan 0.000 0.433 634 L N -0.037 121.180 121.223 -0.009 0.000 2.131 634 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 634 L C 1.395 178.263 176.870 -0.004 0.000 1.087 634 L CA 0.443 55.286 54.840 0.004 0.000 0.767 634 L CB -0.610 41.454 42.059 0.009 0.000 0.917 634 L HN 0.131 nan 8.230 nan 0.000 0.441 635 R N 0.577 121.070 120.500 -0.012 0.000 2.873 635 R HA 0.027 4.367 4.340 -0.000 0.000 0.267 635 R C -1.982 174.307 176.300 -0.019 0.000 1.009 635 R CA -1.278 54.813 56.100 -0.014 0.000 1.152 635 R CB -0.662 29.627 30.300 -0.018 0.000 1.047 635 R HN -0.055 nan 8.270 nan 0.000 0.470 636 P HA -0.087 nan 4.420 nan 0.000 0.281 636 P C 0.447 177.731 177.300 -0.027 0.000 1.274 636 P CA 0.500 63.590 63.100 -0.017 0.000 0.794 636 P CB 0.199 31.892 31.700 -0.011 0.000 1.201 637 G N -1.315 107.469 108.800 -0.026 0.000 2.230 637 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.270 637 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.270 637 G C 0.643 175.513 174.900 -0.050 0.000 0.987 637 G CA 1.341 46.420 45.100 -0.035 0.000 0.664 637 G HN 0.547 nan 8.290 nan 0.000 0.539 638 R N -1.713 118.756 120.500 -0.051 0.000 2.719 638 R HA 0.506 4.846 4.340 -0.000 0.000 0.102 638 R C 0.559 176.815 176.300 -0.073 0.000 1.083 638 R CA -0.436 55.623 56.100 -0.067 0.000 0.894 638 R CB -0.002 30.258 30.300 -0.067 0.000 0.769 638 R HN 0.113 nan 8.270 nan 0.000 0.373 639 L N 3.608 124.792 121.223 -0.064 0.000 2.923 639 L HA 0.198 4.538 4.340 -0.000 0.000 0.231 639 L C -0.234 176.614 176.870 -0.035 0.000 1.300 639 L CA -0.209 54.594 54.840 -0.061 0.000 1.184 639 L CB 0.193 42.221 42.059 -0.050 0.000 1.511 639 L HN 0.533 nan 8.230 nan 0.000 0.448 640 D N -1.603 118.778 120.400 -0.031 0.000 2.350 640 D HA -0.135 4.505 4.640 -0.000 0.000 0.216 640 D C 0.553 176.849 176.300 -0.006 0.000 0.968 640 D CA 0.679 54.672 54.000 -0.012 0.000 0.894 640 D CB 0.142 40.938 40.800 -0.007 0.000 0.909 640 D HN 0.228 nan 8.370 nan 0.000 0.520 641 Q N 0.507 120.293 119.800 -0.023 0.000 2.274 641 Q HA 0.346 4.686 4.340 -0.000 0.000 0.256 641 Q C -0.596 175.364 176.000 -0.067 0.000 0.927 641 Q CA -0.401 55.384 55.803 -0.030 0.000 0.939 641 Q CB 2.118 30.841 28.738 -0.025 0.000 1.201 641 Q HN 0.206 nan 8.270 nan 0.000 0.426 642 L N 4.578 125.775 121.223 -0.043 0.000 2.372 642 L HA 0.594 4.934 4.340 -0.000 0.000 0.274 642 L C -0.059 176.747 176.870 -0.107 0.000 0.988 642 L CA -0.268 54.556 54.840 -0.026 0.000 0.833 642 L CB 0.850 42.999 42.059 0.150 0.000 1.236 642 L HN 0.570 nan 8.230 nan 0.000 0.410 643 I N 2.453 122.804 120.570 -0.366 0.000 3.002 643 I HA 0.532 4.702 4.170 -0.000 0.000 0.310 643 I C -1.339 174.554 176.117 -0.374 0.000 1.087 643 I CA -0.982 60.148 61.300 -0.283 0.000 1.017 643 I CB 2.996 40.803 38.000 -0.321 0.000 1.226 643 I HN 0.394 nan 8.210 nan 0.000 0.443 644 Y N 3.092 123.286 120.300 -0.177 0.000 2.562 644 Y HA 0.722 5.272 4.550 -0.000 0.000 0.345 644 Y C -1.243 174.701 175.900 0.074 0.000 1.045 644 Y CA -0.998 57.056 58.100 -0.076 0.000 1.028 644 Y CB 1.502 40.047 38.460 0.142 0.000 1.297 644 Y HN 0.319 nan 8.280 nan 0.000 0.463 652 S N 2.071 117.765 115.700 -0.010 0.000 2.363 652 S HA -0.115 4.355 4.470 -0.000 0.000 0.218 652 S C 1.033 175.628 174.600 -0.008 0.000 1.035 652 S CA 1.312 59.505 58.200 -0.012 0.000 1.043 652 S CB -0.317 62.874 63.200 -0.016 0.000 0.986 652 S HN 0.207 nan 8.310 nan 0.000 0.423 653 R N 1.056 121.553 120.500 -0.005 0.000 4.902 653 R HA 0.245 4.585 4.340 -0.000 0.000 0.201 653 R C -0.307 175.992 176.300 -0.001 0.000 2.020 653 R CA 0.013 56.112 56.100 -0.001 0.000 1.674 653 R CB -0.153 30.148 30.300 0.003 0.000 1.349 653 R HN 0.211 nan 8.270 nan 0.000 0.813 654 V N -1.861 118.051 119.914 -0.003 0.000 3.093 654 V HA 0.052 4.172 4.120 -0.000 0.000 0.251 654 V C 1.015 177.105 176.094 -0.006 0.000 1.719 654 V CA 0.800 63.096 62.300 -0.006 0.000 1.026 654 V CB 1.003 32.820 31.823 -0.009 0.000 0.926 654 V HN 0.431 nan 8.190 nan 0.000 0.396 655 A N -0.571 122.246 122.820 -0.004 0.000 2.229 655 A HA 0.387 4.707 4.320 -0.000 0.000 0.211 655 A C 1.546 179.131 177.584 0.001 0.000 1.193 655 A CA 0.346 52.381 52.037 -0.003 0.000 0.879 655 A CB -0.053 18.944 19.000 -0.005 0.000 0.911 655 A HN 0.401 nan 8.150 nan 0.000 0.492 656 I N 0.211 120.782 120.570 0.001 0.000 3.444 656 I HA -0.036 4.134 4.170 -0.000 0.000 0.287 656 I C 1.271 177.393 176.117 0.009 0.000 1.302 656 I CA 0.555 61.857 61.300 0.003 0.000 1.368 656 I CB 0.060 38.060 38.000 -0.001 0.000 1.048 656 I HN 0.283 nan 8.210 nan 0.000 0.487 657 L N -0.447 120.783 121.223 0.011 0.000 2.515 657 L HA 0.086 4.426 4.340 -0.000 0.000 0.223 657 L C 2.174 179.056 176.870 0.020 0.000 1.079 657 L CA 0.335 55.187 54.840 0.020 0.000 0.857 657 L CB -0.207 41.862 42.059 0.016 0.000 1.050 657 L HN 0.056 nan 8.230 nan 0.000 0.476 658 K N 0.926 121.333 120.400 0.012 0.000 2.098 658 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 658 K C 1.778 178.385 176.600 0.012 0.000 1.051 658 K CA 1.018 57.312 56.287 0.011 0.000 0.957 658 K CB 0.005 32.508 32.500 0.005 0.000 0.738 658 K HN 0.171 nan 8.250 nan 0.000 0.447 659 A N 1.125 123.950 122.820 0.009 0.000 2.327 659 A HA 0.028 4.348 4.320 -0.000 0.000 0.228 659 A C 1.006 178.594 177.584 0.005 0.000 1.275 659 A CA 0.533 52.574 52.037 0.006 0.000 0.875 659 A CB -0.317 18.687 19.000 0.006 0.000 0.925 659 A HN 0.195 nan 8.150 nan 0.000 0.493 660 N N -0.926 117.782 118.700 0.012 0.000 2.160 660 N HA 0.293 5.033 4.740 -0.000 0.000 0.226 660 N C 0.178 175.702 175.510 0.024 0.000 1.256 660 N CA 0.173 53.232 53.050 0.015 0.000 0.890 660 N CB 0.325 38.824 38.487 0.020 0.000 1.116 660 N HN 0.287 nan 8.380 nan 0.000 0.517 661 L N -0.633 120.605 121.223 0.025 0.000 3.695 661 L HA 0.309 4.649 4.340 -0.000 0.000 0.349 661 L C 1.280 178.164 176.870 0.023 0.000 1.304 661 L CA -0.127 54.733 54.840 0.033 0.000 1.078 661 L CB 0.419 42.513 42.059 0.059 0.000 1.440 661 L HN -0.068 nan 8.230 nan 0.000 0.620 662 R N 1.199 121.707 120.500 0.013 0.000 2.082 662 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 662 R C 1.228 177.532 176.300 0.006 0.000 1.140 662 R CA 1.486 57.591 56.100 0.008 0.000 0.920 662 R CB -0.218 30.084 30.300 0.003 0.000 0.828 662 R HN 0.122 nan 8.270 nan 0.000 0.430 663 K N 0.594 120.994 120.400 0.001 0.000 2.569 663 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 663 K C -0.145 176.454 176.600 -0.002 0.000 1.026 663 K CA 0.051 56.336 56.287 -0.003 0.000 1.093 663 K CB 0.421 32.916 32.500 -0.008 0.000 0.849 663 K HN 0.061 nan 8.250 nan 0.000 0.509 668 K N 0.447 120.870 120.400 0.039 0.000 2.517 668 K HA 0.135 4.455 4.320 -0.000 0.000 0.210 668 K C -0.225 176.366 176.600 -0.015 0.000 1.166 668 K CA 0.027 56.322 56.287 0.014 0.000 1.030 668 K CB 0.780 33.286 32.500 0.011 0.000 0.974 668 K HN 0.882 nan 8.250 nan 0.000 0.585 687 L N 1.206 122.439 121.223 0.017 0.000 2.064 687 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 687 L C 2.018 178.902 176.870 0.023 0.000 1.077 687 L CA 1.948 56.799 54.840 0.018 0.000 0.766 687 L CB -0.627 41.438 42.059 0.010 0.000 0.890 687 L HN 0.059 nan 8.230 nan 0.000 0.435 688 T N -2.387 112.178 114.554 0.019 0.000 3.044 688 T HA -0.039 4.311 4.350 -0.000 0.000 0.250 688 T C 1.506 176.217 174.700 0.018 0.000 1.081 688 T CA 0.309 62.420 62.100 0.019 0.000 1.040 688 T CB 0.271 69.146 68.868 0.011 0.000 0.962 688 T HN 0.182 nan 8.240 nan 0.000 0.506 689 E N 1.515 121.726 120.200 0.018 0.000 2.333 689 E HA -0.096 4.254 4.350 -0.000 0.000 0.200 689 E C 1.474 178.085 176.600 0.018 0.000 1.010 689 E CA 1.142 57.551 56.400 0.015 0.000 0.841 689 E CB -0.473 29.238 29.700 0.017 0.000 0.757 689 E HN 0.587 nan 8.360 nan 0.000 0.508 690 I N -1.611 118.977 120.570 0.030 0.000 3.039 690 I HA -0.081 4.089 4.170 -0.000 0.000 0.270 690 I C 1.910 178.052 176.117 0.043 0.000 1.150 690 I CA 0.038 61.364 61.300 0.044 0.000 1.448 690 I CB -0.137 37.908 38.000 0.074 0.000 1.197 690 I HN 0.108 nan 8.210 nan 0.000 0.450 691 C N 0.822 120.155 119.300 0.056 0.000 2.409 691 C HA -0.164 4.296 4.460 -0.000 0.000 0.288 691 C C 2.742 177.728 174.990 -0.006 0.000 1.395 691 C CA 1.379 60.431 59.018 0.056 0.000 1.792 691 C CB -1.044 26.733 27.740 0.061 0.000 1.847 691 C HN 0.522 nan 8.230 nan 0.000 0.534 692 Q N -0.330 119.461 119.800 -0.015 0.000 2.297 692 Q HA 0.041 4.381 4.340 -0.000 0.000 0.203 692 Q C 2.231 178.194 176.000 -0.061 0.000 0.931 692 Q CA 0.523 56.304 55.803 -0.036 0.000 0.885 692 Q CB -0.000 28.725 28.738 -0.021 0.000 0.991 692 Q HN 0.563 nan 8.270 nan 0.000 0.498 693 R N -0.442 120.026 120.500 -0.053 0.000 2.316 693 R HA 0.011 4.351 4.340 -0.000 0.000 0.202 693 R C 1.611 177.834 176.300 -0.128 0.000 1.029 693 R CA 0.747 56.807 56.100 -0.066 0.000 1.018 693 R CB 0.142 30.421 30.300 -0.035 0.000 0.888 693 R HN 0.207 nan 8.270 nan 0.000 0.471 694 A N -0.229 122.478 122.820 -0.187 0.000 1.909 694 A HA -0.034 4.286 4.320 -0.000 0.000 0.209 694 A C 2.088 179.464 177.584 -0.348 0.000 1.247 694 A CA 0.286 52.093 52.037 -0.383 0.000 0.660 694 A CB -0.538 18.098 19.000 -0.607 0.000 0.910 694 A HN 0.377 nan 8.150 nan 0.000 0.465 695 C N 0.340 119.502 119.300 -0.229 0.000 2.403 695 C HA -0.112 4.348 4.460 -0.000 0.000 0.282 695 C C 2.637 177.520 174.990 -0.179 0.000 1.297 695 C CA 1.452 60.360 59.018 -0.183 0.000 1.785 695 C CB -1.176 26.502 27.740 -0.103 0.000 1.963 695 C HN 0.574 nan 8.230 nan 0.000 0.507 696 K N 0.680 120.985 120.400 -0.157 0.000 1.991 696 K HA 0.031 4.351 4.320 -0.000 0.000 0.208 696 K C 1.674 178.188 176.600 -0.143 0.000 1.038 696 K CA 0.963 57.176 56.287 -0.123 0.000 0.943 696 K CB -0.417 32.030 32.500 -0.087 0.000 0.736 696 K HN 0.359 nan 8.250 nan 0.000 0.440 697 L N 1.049 122.180 121.223 -0.152 0.000 2.651 697 L HA -0.153 4.187 4.340 -0.000 0.000 0.236 697 L C 2.103 178.849 176.870 -0.207 0.000 1.173 697 L CA 0.322 55.089 54.840 -0.121 0.000 0.843 697 L CB -0.399 41.613 42.059 -0.079 0.000 0.964 697 L HN 0.290 nan 8.230 nan 0.000 0.454 698 A N -0.373 122.219 122.820 -0.381 0.000 1.973 698 A HA 0.124 4.444 4.320 -0.000 0.000 0.210 698 A C 2.042 179.449 177.584 -0.294 0.000 1.200 698 A CA 0.389 52.040 52.037 -0.642 0.000 0.707 698 A CB -0.048 18.538 19.000 -0.690 0.000 0.862 698 A HN 0.322 nan 8.150 nan 0.000 0.461 699 I N -1.077 119.381 120.570 -0.187 0.000 3.030 699 I HA 0.017 4.187 4.170 -0.000 0.000 0.270 699 I C 2.391 178.466 176.117 -0.069 0.000 1.211 699 I CA 0.591 61.827 61.300 -0.106 0.000 1.479 699 I CB -0.038 37.910 38.000 -0.086 0.000 1.105 699 I HN 0.296 nan 8.210 nan 0.000 0.447 700 R N 0.969 121.427 120.500 -0.071 0.000 2.240 700 R HA -0.076 4.264 4.340 -0.000 0.000 0.203 700 R C 1.931 178.219 176.300 -0.019 0.000 1.011 700 R CA 0.733 56.810 56.100 -0.039 0.000 1.007 700 R CB 0.159 30.436 30.300 -0.038 0.000 0.911 700 R HN 0.139 nan 8.270 nan 0.000 0.468 701 E N -0.136 120.054 120.200 -0.017 0.000 2.442 701 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 701 E C 1.054 177.672 176.600 0.030 0.000 1.030 701 E CA 0.386 56.806 56.400 0.033 0.000 0.869 701 E CB 0.425 30.194 29.700 0.115 0.000 0.857 701 E HN 0.227 nan 8.360 nan 0.000 0.505 702 S N -0.376 115.326 115.700 0.003 0.000 2.452 702 S HA 0.128 4.598 4.470 -0.000 0.000 0.225 702 S C 1.982 176.583 174.600 0.001 0.000 1.057 702 S CA -0.050 58.153 58.200 0.006 0.000 0.949 702 S CB 0.023 63.219 63.200 -0.007 0.000 0.836 702 S HN 0.207 nan 8.310 nan 0.000 0.518 703 I N 1.873 122.439 120.570 -0.006 0.000 2.335 703 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 703 I C 1.641 177.758 176.117 -0.001 0.000 1.129 703 I CA 0.909 62.206 61.300 -0.005 0.000 1.402 703 I CB -0.390 37.604 38.000 -0.010 0.000 1.069 703 I HN 0.498 nan 8.210 nan 0.000 0.424 729 P HA 0.593 nan 4.420 nan 0.000 0.287 729 P C -0.301 177.012 177.300 0.022 0.000 1.307 729 P CA 0.279 63.383 63.100 0.008 0.000 0.777 729 P CB 1.987 33.686 31.700 -0.002 0.000 0.883 736 F N 1.955 121.990 119.950 0.141 0.000 2.298 736 F HA 0.115 4.642 4.527 -0.000 0.000 0.282 736 F C 2.189 178.014 175.800 0.042 0.000 1.045 736 F CA 0.664 58.707 58.000 0.072 0.000 1.280 736 F CB -0.132 38.902 39.000 0.056 0.000 1.114 736 F HN 0.023 nan 8.300 nan 0.000 0.546 737 E N 0.362 120.705 120.200 0.238 0.000 2.187 737 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 737 E C 1.938 178.587 176.600 0.082 0.000 1.004 737 E CA 1.366 57.840 56.400 0.125 0.000 0.813 737 E CB -0.208 29.544 29.700 0.086 0.000 0.736 737 E HN 0.258 nan 8.360 nan 0.000 0.468 738 E N 0.482 120.725 120.200 0.071 0.000 2.152 738 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 738 E C 1.928 178.547 176.600 0.031 0.000 0.983 738 E CA 0.952 57.376 56.400 0.040 0.000 0.818 738 E CB 0.023 29.741 29.700 0.030 0.000 0.758 738 E HN 0.252 nan 8.360 nan 0.000 0.467 739 A N 1.225 124.066 122.820 0.035 0.000 1.854 739 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 739 A C 1.570 179.179 177.584 0.041 0.000 1.192 739 A CA 0.538 52.590 52.037 0.027 0.000 0.611 739 A CB -0.323 18.690 19.000 0.021 0.000 0.832 739 A HN 0.167 nan 8.150 nan 0.000 0.442 757 M N 0.230 119.913 119.600 0.139 0.000 2.108 757 M HA -0.108 4.372 4.480 -0.000 0.000 0.257 757 M C 1.890 178.163 176.300 -0.045 0.000 1.071 757 M CA 1.661 56.979 55.300 0.030 0.000 1.093 757 M CB -1.007 31.569 32.600 -0.040 0.000 1.345 757 M HN 0.027 nan 8.290 nan 0.000 0.403 758 F N 0.148 120.019 119.950 -0.132 0.000 2.187 758 F HA 0.236 4.763 4.527 -0.000 0.000 0.295 758 F C 2.019 177.690 175.800 -0.216 0.000 1.091 758 F CA -0.008 57.884 58.000 -0.179 0.000 1.308 758 F CB -1.661 37.198 39.000 -0.234 0.000 1.030 758 F HN 0.065 nan 8.300 nan 0.000 0.487 759 A N 0.000 122.788 122.820 -0.053 0.000 2.254 759 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 759 A CA 0.000 51.954 52.037 -0.138 0.000 0.836 759 A CB 0.000 18.900 19.000 -0.167 0.000 0.831 759 A HN 0.000 nan 8.150 nan 0.000 0.486