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 2id5_1_B DATA FIRST_RESID 3 DATA SEQUENCE cPPRcEcSAQ DRAVLcHRKR FVAVPEGIPT ETRLLDLGKN RIKTLNQDEF DATA SEQUENCE ASFPHLEELE LNENIVSAVE PGAFNNLFNL RTLGLRSNRL KLIPLGVFTG DATA SEQUENCE LSNLTKLDIS ENKIVILLDY MFQDLYNLKS LEVGDNDLVY ISHRAFSGLN DATA SEQUENCE SLEQLTLEKC NLTSIPTEAL SHLHGLIVLR LRHLNINAIR DYSFKRLYRL DATA SEQUENCE KVLEISHWPY LDTMTPNCLY GLNLTSLSIT HCNLTAVPYL AVRHLVYLRF DATA SEQUENCE LNLSYNPIST IEGSMLHELL RLQEIQLVGG QLAVVEPYAF RGLNYLRVLN DATA SEQUENCE VSGNQLTTLE ESVFHSVGNL ETLILDSNPL AcDcRLLWVF RRRWRLNFNR DATA SEQUENCE QQPTcATPEF VQGKEFKDFP DVLLPNYFTc RRARIRDRKA QQVFVDEGHT DATA SEQUENCE VQFVcRADGD PPPAILWLSP RKHLVSAKSN GRLTVFPDGT LEVRYAQVQD DATA SEQUENCE NGTYLcIAAN AGGNDSMPAH LHV 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 3 c HA 0.000 nan 4.570 nan 0.000 0.325 3 c C 0.000 174.102 174.090 0.019 0.000 1.270 3 c CA 0.000 56.336 56.329 0.012 0.000 1.963 3 c CB 0.000 42.513 42.510 0.005 0.000 2.134 4 P HA 0.203 nan 4.420 nan 0.000 0.263 4 P C -2.037 175.299 177.300 0.059 0.000 1.175 4 P CA 0.055 63.177 63.100 0.037 0.000 0.761 4 P CB -0.370 31.350 31.700 0.034 0.000 0.794 5 P HA -0.115 nan 4.420 nan 0.000 0.212 5 P C 1.614 178.955 177.300 0.068 0.000 1.178 5 P CA 1.557 64.693 63.100 0.060 0.000 0.915 5 P CB -0.024 31.712 31.700 0.060 0.000 0.788 6 R N -1.271 119.287 120.500 0.096 0.000 2.096 6 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 6 R C 0.771 177.115 176.300 0.074 0.000 1.127 6 R CA 0.614 56.758 56.100 0.074 0.000 0.968 6 R CB -1.115 29.224 30.300 0.065 0.000 0.861 6 R HN 0.253 nan 8.270 nan 0.000 0.440 7 c N 1.431 120.097 118.600 0.110 0.000 2.689 7 c HA 0.070 4.640 4.570 -0.001 0.000 0.409 7 c C 0.783 174.913 174.090 0.066 0.000 1.293 7 c CA -0.706 55.684 56.329 0.101 0.000 2.136 7 c CB 0.389 42.970 42.510 0.118 0.000 2.719 7 c HN 0.394 nan 8.230 nan 0.000 0.644 8 E N 1.192 121.431 120.200 0.065 0.000 2.055 8 E HA 0.425 4.774 4.350 -0.001 0.000 0.274 8 E C -0.523 176.102 176.600 0.041 0.000 0.949 8 E CA -0.403 56.026 56.400 0.049 0.000 0.775 8 E CB 0.408 30.137 29.700 0.049 0.000 1.097 8 E HN 0.886 nan 8.360 nan 0.000 0.404 9 c N 2.262 120.879 118.600 0.027 0.000 2.493 9 c HA 0.727 5.296 4.570 -0.001 0.000 0.326 9 c C 0.200 174.296 174.090 0.011 0.000 1.200 9 c CA -0.977 55.361 56.329 0.015 0.000 1.739 9 c CB 0.991 43.504 42.510 0.005 0.000 2.300 9 c HN 0.571 nan 8.230 nan 0.000 0.500 10 S N 1.655 117.359 115.700 0.006 0.000 2.528 10 S HA 0.555 5.025 4.470 -0.001 0.000 0.303 10 S C 0.991 175.591 174.600 -0.000 0.000 1.123 10 S CA 0.189 58.392 58.200 0.004 0.000 1.138 10 S CB 0.584 63.787 63.200 0.005 0.000 0.984 10 S HN 1.458 nan 8.310 nan 0.000 0.474 11 A N 4.457 127.277 122.820 -0.000 0.000 1.940 11 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 11 A C 2.081 179.663 177.584 -0.004 0.000 1.176 11 A CA 1.916 53.951 52.037 -0.003 0.000 0.631 11 A CB -0.722 18.277 19.000 -0.001 0.000 0.814 11 A HN 0.978 nan 8.150 nan 0.000 0.446 12 Q N -1.353 118.446 119.800 -0.002 0.000 2.291 12 Q HA -0.144 4.195 4.340 -0.001 0.000 0.206 12 Q C 0.150 176.148 176.000 -0.002 0.000 0.976 12 Q CA 1.627 57.429 55.803 -0.002 0.000 0.875 12 Q CB -0.243 28.495 28.738 -0.000 0.000 0.927 12 Q HN 0.505 nan 8.270 nan 0.000 0.450 13 D N -0.492 119.907 120.400 -0.002 0.000 2.469 13 D HA 0.137 4.776 4.640 -0.001 0.000 0.213 13 D C -0.464 175.833 176.300 -0.004 0.000 1.135 13 D CA -0.193 53.806 54.000 -0.002 0.000 0.834 13 D CB 0.604 41.404 40.800 -0.001 0.000 1.009 13 D HN 0.014 nan 8.370 nan 0.000 0.507 14 R N 0.076 120.571 120.500 -0.008 0.000 3.333 14 R HA -0.147 4.192 4.340 -0.001 0.000 0.256 14 R C -0.517 175.773 176.300 -0.017 0.000 1.010 14 R CA 0.642 56.734 56.100 -0.013 0.000 0.680 14 R CB -2.536 27.756 30.300 -0.014 0.000 1.102 14 R HN 0.268 nan 8.270 nan 0.000 0.440 15 A N -0.377 122.434 122.820 -0.015 0.000 2.355 15 A HA 0.779 5.099 4.320 -0.001 0.000 0.324 15 A C -0.303 177.268 177.584 -0.021 0.000 1.117 15 A CA -0.494 51.532 52.037 -0.018 0.000 0.785 15 A CB 2.171 21.168 19.000 -0.005 0.000 1.254 15 A HN 0.041 nan 8.150 nan 0.000 0.453 16 V N 2.692 122.586 119.914 -0.033 0.000 2.577 16 V HA 0.446 4.566 4.120 -0.001 0.000 0.303 16 V C -1.262 174.825 176.094 -0.012 0.000 1.042 16 V CA -0.358 61.924 62.300 -0.030 0.000 0.872 16 V CB 1.472 33.250 31.823 -0.074 0.000 0.998 16 V HN 0.750 nan 8.190 nan 0.000 0.423 17 L N 4.600 125.839 121.223 0.027 0.000 2.341 17 L HA 0.625 4.964 4.340 -0.001 0.000 0.278 17 L C -0.238 176.672 176.870 0.066 0.000 1.005 17 L CA 0.110 54.986 54.840 0.060 0.000 0.818 17 L CB 1.741 43.894 42.059 0.156 0.000 1.259 17 L HN 0.775 nan 8.230 nan 0.000 0.418 18 c N 2.250 120.834 118.600 -0.028 0.000 3.370 18 c HA 0.302 4.872 4.570 -0.001 0.000 0.190 18 c C 0.019 174.069 174.090 -0.067 0.000 1.647 18 c CA -0.842 55.511 56.329 0.041 0.000 1.277 18 c CB -1.020 41.611 42.510 0.201 0.000 2.037 18 c HN 0.600 nan 8.230 nan 0.000 0.537 19 H N 1.096 120.178 119.070 0.020 0.000 2.610 19 H HA 0.255 4.811 4.556 -0.001 0.000 0.336 19 H C 0.581 175.877 175.328 -0.054 0.000 1.087 19 H CA 0.368 56.412 56.048 -0.007 0.000 1.405 19 H CB 0.646 30.405 29.762 -0.005 0.000 1.460 19 H HN 0.432 nan 8.280 nan 0.000 0.538 20 R N 1.338 121.855 120.500 0.028 0.000 3.531 20 R HA -0.142 4.198 4.340 -0.001 0.000 0.280 20 R C 0.042 176.257 176.300 -0.143 0.000 1.130 20 R CA 0.271 56.348 56.100 -0.038 0.000 0.757 20 R CB -0.609 29.689 30.300 -0.003 0.000 1.218 20 R HN 0.561 nan 8.270 nan 0.000 0.454 21 K N 0.644 120.866 120.400 -0.297 0.000 2.373 21 K HA 0.149 4.469 4.320 -0.001 0.000 0.202 21 K C 0.370 176.589 176.600 -0.635 0.000 1.025 21 K CA -0.247 55.697 56.287 -0.571 0.000 1.115 21 K CB 0.399 32.290 32.500 -1.016 0.000 0.858 21 K HN 0.268 nan 8.250 nan 0.000 0.525 22 R N 0.841 121.144 120.500 -0.329 0.000 3.416 22 R HA -0.160 4.179 4.340 -0.001 0.000 0.263 22 R C -0.730 175.520 176.300 -0.082 0.000 1.053 22 R CA 0.315 56.317 56.100 -0.163 0.000 0.705 22 R CB -1.986 28.250 30.300 -0.107 0.000 1.124 22 R HN 0.013 nan 8.270 nan 0.000 0.444 23 F N -0.953 119.001 119.950 0.006 0.000 2.429 23 F HA 0.100 4.627 4.527 -0.001 0.000 0.348 23 F C 1.853 177.657 175.800 0.006 0.000 1.109 23 F CA -0.773 57.230 58.000 0.005 0.000 1.232 23 F CB 1.033 40.035 39.000 0.004 0.000 1.157 23 F HN -0.247 nan 8.300 nan 0.000 0.564 24 V N 1.057 121.108 119.914 0.229 0.000 3.263 24 V HA 0.370 4.489 4.120 -0.001 0.000 0.248 24 V C 0.809 176.937 176.094 0.057 0.000 1.145 24 V CA 0.972 63.337 62.300 0.107 0.000 1.107 24 V CB -0.459 31.406 31.823 0.070 0.000 0.797 24 V HN 0.804 nan 8.190 nan 0.000 0.467 25 A N -0.568 122.267 122.820 0.024 0.000 2.583 25 A HA 0.727 5.047 4.320 -0.001 0.000 0.299 25 A C -0.985 176.521 177.584 -0.130 0.000 1.258 25 A CA -0.398 51.605 52.037 -0.057 0.000 0.682 25 A CB 1.072 20.021 19.000 -0.084 0.000 1.332 25 A HN -0.087 nan 8.150 nan 0.000 0.485 26 V N 3.177 122.996 119.914 -0.157 0.000 2.439 26 V HA 0.320 4.439 4.120 -0.001 0.000 0.271 26 V C -1.810 174.142 176.094 -0.238 0.000 1.040 26 V CA -0.714 61.492 62.300 -0.155 0.000 1.002 26 V CB 0.265 32.056 31.823 -0.053 0.000 1.000 26 V HN 0.740 nan 8.190 nan 0.000 0.477 27 P HA 0.259 nan 4.420 nan 0.000 0.272 27 P C -0.300 176.880 177.300 -0.200 0.000 1.230 27 P CA -0.482 62.320 63.100 -0.495 0.000 0.788 27 P CB 1.047 32.215 31.700 -0.886 0.000 0.949 28 E N -0.209 119.914 120.200 -0.129 0.000 2.392 28 E HA 0.396 4.746 4.350 -0.001 0.000 0.256 28 E C 1.348 177.938 176.600 -0.017 0.000 1.145 28 E CA 1.156 57.533 56.400 -0.039 0.000 0.929 28 E CB -0.271 29.414 29.700 -0.025 0.000 0.998 28 E HN 0.767 nan 8.360 nan 0.000 0.442 29 G N 1.011 109.823 108.800 0.020 0.000 2.195 29 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.246 29 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.246 29 G C 0.261 175.180 174.900 0.032 0.000 0.984 29 G CA -0.048 45.067 45.100 0.025 0.000 0.633 29 G HN 0.427 nan 8.290 nan 0.000 0.525 30 I N 3.137 123.727 120.570 0.034 0.000 2.668 30 I HA 0.200 4.370 4.170 -0.001 0.000 0.285 30 I C -1.405 174.769 176.117 0.095 0.000 1.168 30 I CA -1.479 59.817 61.300 -0.007 0.000 1.424 30 I CB 0.560 38.447 38.000 -0.189 0.000 1.377 30 I HN -0.044 nan 8.210 nan 0.000 0.560 31 P HA 0.015 nan 4.420 nan 0.000 0.269 31 P C 0.663 178.070 177.300 0.180 0.000 1.209 31 P CA -0.168 62.982 63.100 0.082 0.000 0.776 31 P CB 0.431 32.147 31.700 0.026 0.000 0.876 32 T N -2.593 112.071 114.554 0.183 0.000 3.129 32 T HA 0.064 4.413 4.350 -0.001 0.000 0.251 32 T C 0.505 175.291 174.700 0.144 0.000 1.117 32 T CA 0.440 62.691 62.100 0.252 0.000 1.034 32 T CB -0.497 68.462 68.868 0.151 0.000 0.968 32 T HN 0.281 nan 8.240 nan 0.000 0.526 33 E N 1.079 121.291 120.200 0.021 0.000 2.501 33 E HA 0.195 4.545 4.350 -0.001 0.000 0.201 33 E C 0.101 176.675 176.600 -0.044 0.000 1.016 33 E CA -0.166 56.145 56.400 -0.148 0.000 0.920 33 E CB 0.220 29.816 29.700 -0.172 0.000 1.023 33 E HN 0.342 nan 8.360 nan 0.000 0.474 34 T N 1.035 115.610 114.554 0.035 0.000 2.934 34 T HA 0.061 4.410 4.350 -0.001 0.000 0.306 34 T C 1.018 175.747 174.700 0.048 0.000 1.042 34 T CA 0.341 62.446 62.100 0.008 0.000 1.145 34 T CB 0.920 69.744 68.868 -0.074 0.000 0.982 34 T HN 0.153 nan 8.240 nan 0.000 0.544 35 R N 1.157 121.670 120.500 0.020 0.000 2.287 35 R HA 0.331 4.671 4.340 -0.001 0.000 0.197 35 R C 0.163 176.464 176.300 0.001 0.000 0.900 35 R CA -0.053 56.069 56.100 0.037 0.000 1.052 35 R CB 0.458 30.781 30.300 0.037 0.000 1.117 35 R HN 0.448 nan 8.270 nan 0.000 0.568 36 L N 1.864 123.073 121.223 -0.023 0.000 2.349 36 L HA 0.477 4.816 4.340 -0.001 0.000 0.278 36 L C -1.749 175.081 176.870 -0.066 0.000 0.996 36 L CA -0.942 53.875 54.840 -0.039 0.000 0.825 36 L CB 1.775 43.821 42.059 -0.022 0.000 1.243 36 L HN -0.096 nan 8.230 nan 0.000 0.412 37 L N 4.876 126.046 121.223 -0.088 0.000 2.372 37 L HA 0.562 4.901 4.340 -0.001 0.000 0.274 37 L C -1.258 175.558 176.870 -0.090 0.000 0.988 37 L CA -0.044 54.729 54.840 -0.112 0.000 0.833 37 L CB 1.573 43.530 42.059 -0.169 0.000 1.236 37 L HN 0.474 nan 8.230 nan 0.000 0.410 38 D N 4.422 124.775 120.400 -0.078 0.000 2.344 38 D HA 0.383 5.023 4.640 -0.001 0.000 0.239 38 D C -0.370 175.834 176.300 -0.159 0.000 1.064 38 D CA -0.151 53.785 54.000 -0.106 0.000 0.829 38 D CB 1.797 42.551 40.800 -0.076 0.000 1.129 38 D HN 0.456 nan 8.370 nan 0.000 0.506 39 L N 3.141 124.294 121.223 -0.117 0.000 3.267 39 L HA 0.362 4.702 4.340 -0.001 0.000 0.289 39 L C 1.090 177.921 176.870 -0.065 0.000 1.260 39 L CA -0.324 54.485 54.840 -0.052 0.000 1.034 39 L CB 0.666 42.769 42.059 0.073 0.000 1.413 39 L HN 0.428 nan 8.230 nan 0.000 0.594 40 G N -0.068 108.636 108.800 -0.159 0.000 2.614 40 G HA2 0.263 4.222 3.960 -0.001 0.000 0.239 40 G HA3 0.263 4.222 3.960 -0.001 0.000 0.239 40 G C 0.069 174.956 174.900 -0.022 0.000 1.240 40 G CA -0.320 44.746 45.100 -0.056 0.000 0.842 40 G HN 0.357 nan 8.290 nan 0.000 0.584 41 K N 0.605 121.037 120.400 0.052 0.000 3.619 41 K HA -0.158 4.161 4.320 -0.001 0.000 0.275 41 K C -0.019 176.597 176.600 0.026 0.000 0.993 41 K CA 0.786 57.109 56.287 0.059 0.000 0.787 41 K CB -1.204 31.364 32.500 0.114 0.000 1.431 41 K HN 0.649 nan 8.250 nan 0.000 0.451 42 N N 0.009 118.729 118.700 0.032 0.000 3.387 42 N HA 0.365 5.105 4.740 -0.001 0.000 0.322 42 N C -0.395 175.142 175.510 0.045 0.000 1.588 42 N CA -0.903 52.167 53.050 0.033 0.000 0.778 42 N CB 1.166 39.708 38.487 0.090 0.000 1.883 42 N HN 0.020 nan 8.380 nan 0.000 0.628 43 R N 0.779 121.314 120.500 0.059 0.000 2.696 43 R HA 0.431 4.771 4.340 -0.001 0.000 0.355 43 R C -0.231 176.107 176.300 0.064 0.000 1.138 43 R CA -0.333 55.797 56.100 0.051 0.000 1.059 43 R CB -0.650 29.672 30.300 0.036 0.000 1.380 43 R HN 0.511 nan 8.270 nan 0.000 0.578 44 I N 1.205 121.824 120.570 0.081 0.000 2.598 44 I HA -0.044 4.126 4.170 -0.001 0.000 0.284 44 I C 1.385 177.536 176.117 0.057 0.000 1.140 44 I CA 0.595 61.940 61.300 0.076 0.000 1.420 44 I CB 0.812 38.872 38.000 0.101 0.000 1.387 44 I HN -0.020 nan 8.210 nan 0.000 0.553 45 K N 2.820 123.244 120.400 0.038 0.000 2.350 45 K HA 0.121 4.440 4.320 -0.001 0.000 0.196 45 K C 0.202 176.813 176.600 0.018 0.000 1.084 45 K CA 0.490 56.793 56.287 0.027 0.000 0.967 45 K CB 0.644 33.154 32.500 0.016 0.000 0.950 45 K HN 0.826 nan 8.250 nan 0.000 0.512 46 T N -1.547 113.011 114.554 0.007 0.000 2.916 46 T HA 0.518 4.868 4.350 -0.001 0.000 0.305 46 T C -0.835 173.848 174.700 -0.029 0.000 1.119 46 T CA -0.895 61.198 62.100 -0.011 0.000 1.008 46 T CB 1.545 70.397 68.868 -0.027 0.000 1.129 46 T HN -0.109 nan 8.240 nan 0.000 0.480 47 L N 3.185 124.380 121.223 -0.047 0.000 2.295 47 L HA 0.473 4.812 4.340 -0.001 0.000 0.281 47 L C -0.001 176.773 176.870 -0.160 0.000 1.018 47 L CA -1.057 53.723 54.840 -0.099 0.000 0.841 47 L CB 0.931 42.949 42.059 -0.069 0.000 1.218 47 L HN 0.627 nan 8.230 nan 0.000 0.424 48 N N 2.080 120.675 118.700 -0.175 0.000 2.424 48 N HA 0.066 4.806 4.740 -0.001 0.000 0.257 48 N C -0.130 175.270 175.510 -0.183 0.000 1.250 48 N CA -0.390 52.564 53.050 -0.160 0.000 0.946 48 N CB 0.688 39.090 38.487 -0.143 0.000 1.175 48 N HN 0.537 nan 8.380 nan 0.000 0.477 49 Q N 0.626 120.342 119.800 -0.139 0.000 2.283 49 Q HA -0.113 4.226 4.340 -0.001 0.000 0.301 49 Q C -0.722 175.200 176.000 -0.131 0.000 1.063 49 Q CA 0.549 56.279 55.803 -0.122 0.000 0.952 49 Q CB 0.136 28.824 28.738 -0.083 0.000 1.166 49 Q HN 0.439 nan 8.270 nan 0.000 0.381 50 D N 2.566 122.895 120.400 -0.120 0.000 2.870 50 D HA -0.221 4.419 4.640 -0.001 0.000 0.228 50 D C 0.473 176.665 176.300 -0.180 0.000 1.147 50 D CA 1.340 55.272 54.000 -0.114 0.000 0.757 50 D CB -0.795 39.947 40.800 -0.096 0.000 1.091 50 D HN 0.834 nan 8.370 nan 0.000 0.429 51 E N -1.066 118.970 120.200 -0.273 0.000 2.077 51 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 51 E C 1.405 177.663 176.600 -0.571 0.000 0.989 51 E CA 1.164 57.261 56.400 -0.505 0.000 0.800 51 E CB -0.004 29.235 29.700 -0.767 0.000 0.746 51 E HN 0.414 nan 8.360 nan 0.000 0.452 52 F N -0.813 119.143 119.950 0.009 0.000 2.664 52 F HA 0.404 4.931 4.527 -0.001 0.000 0.303 52 F C 1.667 177.433 175.800 -0.056 0.000 1.092 52 F CA 0.180 58.259 58.000 0.132 0.000 1.305 52 F CB 0.179 39.331 39.000 0.255 0.000 1.054 52 F HN 0.033 nan 8.300 nan 0.000 0.565 53 A N -0.451 122.339 122.820 -0.051 0.000 2.084 53 A HA -0.184 4.136 4.320 -0.001 0.000 0.221 53 A C 2.310 179.751 177.584 -0.238 0.000 1.161 53 A CA 1.951 53.915 52.037 -0.120 0.000 0.653 53 A CB -0.784 18.144 19.000 -0.120 0.000 0.802 53 A HN 0.264 nan 8.150 nan 0.000 0.457 54 S N -1.146 114.244 115.700 -0.516 0.000 2.603 54 S HA 0.122 4.592 4.470 -0.001 0.000 0.229 54 S C -0.367 173.784 174.600 -0.749 0.000 0.972 54 S CA 0.310 58.079 58.200 -0.719 0.000 0.935 54 S CB -0.331 62.288 63.200 -0.969 0.000 0.769 54 S HN 0.500 nan 8.310 nan 0.000 0.536 55 F N 0.515 120.515 119.950 0.083 0.000 2.523 55 F HA 0.394 4.921 4.527 -0.001 0.000 0.322 55 F C -2.358 173.495 175.800 0.088 0.000 1.361 55 F CA -2.662 55.404 58.000 0.109 0.000 1.151 55 F CB 0.620 39.692 39.000 0.120 0.000 1.391 55 F HN -0.079 nan 8.300 nan 0.000 0.566 56 P HA -0.074 nan 4.420 nan 0.000 0.230 56 P C 0.750 177.997 177.300 -0.090 0.000 1.158 56 P CA 1.415 64.500 63.100 -0.025 0.000 0.769 56 P CB 0.035 31.670 31.700 -0.108 0.000 0.807 57 H N -1.733 117.396 119.070 0.097 0.000 2.539 57 H HA 0.199 4.755 4.556 -0.001 0.000 0.269 57 H C 0.720 176.083 175.328 0.059 0.000 0.980 57 H CA -0.295 55.799 56.048 0.076 0.000 1.152 57 H CB -0.567 29.239 29.762 0.073 0.000 1.407 57 H HN 0.049 nan 8.280 nan 0.000 0.564 58 L N 1.608 122.925 121.223 0.157 0.000 2.601 58 L HA -0.107 4.233 4.340 -0.001 0.000 0.277 58 L C 0.998 177.888 176.870 0.033 0.000 1.219 58 L CA 0.665 55.552 54.840 0.078 0.000 0.915 58 L CB 0.650 42.742 42.059 0.054 0.000 1.160 58 L HN 0.466 nan 8.230 nan 0.000 0.494 59 E N 1.954 122.164 120.200 0.017 0.000 2.251 59 E HA 0.006 4.355 4.350 -0.001 0.000 0.194 59 E C 0.170 176.748 176.600 -0.037 0.000 0.964 59 E CA 0.276 56.673 56.400 -0.004 0.000 0.868 59 E CB 0.600 30.304 29.700 0.006 0.000 0.828 59 E HN 0.597 nan 8.360 nan 0.000 0.481 60 E N 1.007 121.179 120.200 -0.046 0.000 2.263 60 E HA 0.354 4.704 4.350 -0.001 0.000 0.268 60 E C -1.883 174.660 176.600 -0.095 0.000 0.884 60 E CA -0.617 55.742 56.400 -0.069 0.000 0.766 60 E CB 1.412 31.083 29.700 -0.049 0.000 1.196 60 E HN -0.088 nan 8.360 nan 0.000 0.416 61 L N 3.604 124.746 121.223 -0.135 0.000 2.376 61 L HA 0.576 4.915 4.340 -0.001 0.000 0.275 61 L C -1.516 175.267 176.870 -0.145 0.000 0.987 61 L CA -0.333 54.398 54.840 -0.182 0.000 0.828 61 L CB 1.850 43.729 42.059 -0.299 0.000 1.249 61 L HN 0.615 nan 8.230 nan 0.000 0.409 62 E N 4.044 124.180 120.200 -0.106 0.000 2.216 62 E HA 0.526 4.875 4.350 -0.001 0.000 0.260 62 E C -0.879 175.701 176.600 -0.035 0.000 0.880 62 E CA 0.023 56.389 56.400 -0.058 0.000 0.765 62 E CB 1.232 30.913 29.700 -0.032 0.000 1.174 62 E HN 0.688 nan 8.360 nan 0.000 0.417 63 L N 3.460 124.683 121.223 0.000 0.000 3.347 63 L HA 0.343 4.682 4.340 -0.001 0.000 0.306 63 L C -0.132 176.772 176.870 0.056 0.000 1.301 63 L CA -0.412 54.456 54.840 0.048 0.000 0.985 63 L CB 0.190 42.312 42.059 0.105 0.000 1.400 63 L HN 0.376 nan 8.230 nan 0.000 0.601 64 N N 1.212 119.936 118.700 0.040 0.000 2.444 64 N HA 0.049 4.788 4.740 -0.001 0.000 0.255 64 N C 0.325 175.865 175.510 0.050 0.000 1.255 64 N CA 0.121 53.199 53.050 0.046 0.000 0.933 64 N CB 0.677 39.189 38.487 0.042 0.000 1.143 64 N HN 0.170 nan 8.380 nan 0.000 0.453 65 E N -1.297 118.931 120.200 0.046 0.000 2.791 65 E HA -0.219 4.131 4.350 -0.001 0.000 0.271 65 E C -0.274 176.352 176.600 0.044 0.000 1.044 65 E CA 0.492 56.917 56.400 0.043 0.000 0.814 65 E CB -0.805 28.923 29.700 0.047 0.000 1.400 65 E HN 0.527 nan 8.360 nan 0.000 0.423 66 N N -0.055 118.676 118.700 0.052 0.000 2.547 66 N HA 0.502 5.242 4.740 -0.001 0.000 0.301 66 N C 0.946 176.485 175.510 0.047 0.000 1.328 66 N CA 0.335 53.418 53.050 0.055 0.000 0.932 66 N CB 0.446 38.978 38.487 0.074 0.000 1.104 66 N HN 0.164 nan 8.380 nan 0.000 0.548 67 I N -1.428 119.171 120.570 0.049 0.000 3.007 67 I HA 0.307 4.477 4.170 -0.001 0.000 0.333 67 I C -0.650 175.491 176.117 0.041 0.000 1.489 67 I CA -0.500 60.824 61.300 0.039 0.000 0.906 67 I CB 0.481 38.498 38.000 0.029 0.000 1.702 67 I HN -0.138 nan 8.210 nan 0.000 0.548 68 V N 2.452 122.399 119.914 0.055 0.000 2.529 68 V HA 0.082 4.202 4.120 -0.001 0.000 0.292 68 V C 1.393 177.513 176.094 0.043 0.000 1.028 68 V CA 1.104 63.438 62.300 0.057 0.000 1.074 68 V CB 1.062 32.937 31.823 0.087 0.000 0.958 68 V HN 0.799 nan 8.190 nan 0.000 0.481 69 S N 2.270 117.986 115.700 0.027 0.000 2.733 69 S HA 0.602 5.072 4.470 -0.001 0.000 0.247 69 S C 0.253 174.855 174.600 0.004 0.000 1.043 69 S CA 0.284 58.494 58.200 0.016 0.000 1.066 69 S CB 0.771 63.978 63.200 0.011 0.000 1.045 69 S HN 1.147 nan 8.310 nan 0.000 0.586 70 A N 0.886 123.706 122.820 0.000 0.000 2.437 70 A HA 0.757 5.077 4.320 -0.001 0.000 0.293 70 A C -1.305 176.263 177.584 -0.026 0.000 1.038 70 A CA -0.641 51.386 52.037 -0.017 0.000 0.708 70 A CB 2.003 20.989 19.000 -0.023 0.000 1.251 70 A HN 0.818 nan 8.150 nan 0.000 0.409 71 V N 3.405 123.294 119.914 -0.042 0.000 2.380 71 V HA 0.371 4.490 4.120 -0.001 0.000 0.286 71 V C -0.155 175.880 176.094 -0.099 0.000 1.015 71 V CA -0.389 61.868 62.300 -0.073 0.000 0.834 71 V CB 1.141 32.940 31.823 -0.040 0.000 1.009 71 V HN 0.969 nan 8.190 nan 0.000 0.428 72 E N 7.279 127.412 120.200 -0.112 0.000 2.413 72 E HA 0.190 4.540 4.350 -0.001 0.000 0.263 72 E C -2.367 174.167 176.600 -0.109 0.000 1.015 72 E CA -1.393 54.948 56.400 -0.100 0.000 0.916 72 E CB 0.622 30.263 29.700 -0.098 0.000 0.947 72 E HN 0.541 nan 8.360 nan 0.000 0.440 73 P HA -0.047 nan 4.420 nan 0.000 0.262 73 P C 0.421 177.691 177.300 -0.050 0.000 1.182 73 P CA 0.897 63.964 63.100 -0.054 0.000 0.761 73 P CB 0.438 32.118 31.700 -0.034 0.000 0.795 74 G N 2.540 111.324 108.800 -0.027 0.000 2.157 74 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.248 74 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.248 74 G C 1.129 175.981 174.900 -0.080 0.000 0.979 74 G CA 0.327 45.416 45.100 -0.019 0.000 0.650 74 G HN 0.652 nan 8.290 nan 0.000 0.529 75 A N -0.262 122.441 122.820 -0.196 0.000 1.902 75 A HA 0.337 4.657 4.320 -0.001 0.000 0.217 75 A C 1.658 179.051 177.584 -0.319 0.000 1.181 75 A CA 2.057 53.870 52.037 -0.374 0.000 0.623 75 A CB -0.369 18.235 19.000 -0.660 0.000 0.818 75 A HN 0.803 nan 8.150 nan 0.000 0.443 76 F N 0.291 120.326 119.950 0.142 0.000 2.641 76 F HA 0.216 4.743 4.527 -0.001 0.000 0.302 76 F C 0.820 176.638 175.800 0.030 0.000 1.098 76 F CA -1.037 57.041 58.000 0.131 0.000 1.318 76 F CB -0.553 38.520 39.000 0.122 0.000 1.035 76 F HN 0.201 nan 8.300 nan 0.000 0.551 77 N N 1.654 120.418 118.700 0.106 0.000 2.454 77 N HA -0.114 4.626 4.740 -0.001 0.000 0.254 77 N C 0.536 175.959 175.510 -0.145 0.000 1.228 77 N CA 0.660 53.712 53.050 0.003 0.000 0.900 77 N CB 0.301 38.803 38.487 0.025 0.000 1.089 77 N HN 0.274 nan 8.380 nan 0.000 0.449 78 N N 1.483 119.903 118.700 -0.467 0.000 2.882 78 N HA -0.171 4.568 4.740 -0.001 0.000 0.249 78 N C -1.328 173.748 175.510 -0.723 0.000 1.079 78 N CA 0.597 53.207 53.050 -0.733 0.000 0.800 78 N CB -1.460 36.871 38.487 -0.259 0.000 1.124 78 N HN 0.594 nan 8.380 nan 0.000 0.557 79 L N 0.412 121.232 121.223 -0.672 0.000 2.719 79 L HA 0.373 4.713 4.340 -0.001 0.000 0.236 79 L C 0.296 177.003 176.870 -0.271 0.000 1.221 79 L CA -0.567 54.080 54.840 -0.321 0.000 1.048 79 L CB -0.244 41.770 42.059 -0.074 0.000 1.364 79 L HN -0.027 nan 8.230 nan 0.000 0.447 80 F N -0.495 119.463 119.950 0.013 0.000 2.780 80 F HA 0.055 4.581 4.527 -0.001 0.000 0.299 80 F C 1.819 177.607 175.800 -0.019 0.000 1.146 80 F CA 0.278 58.276 58.000 -0.004 0.000 1.428 80 F CB -0.357 38.639 39.000 -0.008 0.000 1.115 80 F HN 0.403 nan 8.300 nan 0.000 0.583 81 N N 0.196 118.952 118.700 0.093 0.000 2.254 81 N HA 0.045 4.784 4.740 -0.001 0.000 0.190 81 N C 0.432 175.952 175.510 0.017 0.000 1.107 81 N CA -0.022 53.060 53.050 0.053 0.000 0.869 81 N CB 0.531 39.043 38.487 0.040 0.000 0.983 81 N HN 0.185 nan 8.380 nan 0.000 0.487 82 L N 2.470 123.689 121.223 -0.006 0.000 2.584 82 L HA -0.046 4.294 4.340 -0.001 0.000 0.272 82 L C 1.359 178.194 176.870 -0.058 0.000 1.195 82 L CA 0.462 55.275 54.840 -0.046 0.000 0.920 82 L CB 0.507 42.517 42.059 -0.083 0.000 1.173 82 L HN -0.069 nan 8.230 nan 0.000 0.489 83 R N 1.809 122.271 120.500 -0.063 0.000 2.287 83 R HA 0.271 4.610 4.340 -0.001 0.000 0.197 83 R C -0.151 176.093 176.300 -0.094 0.000 0.900 83 R CA 0.272 56.330 56.100 -0.070 0.000 1.052 83 R CB 0.270 30.543 30.300 -0.045 0.000 1.117 83 R HN 0.583 nan 8.270 nan 0.000 0.568 84 T N 1.673 116.167 114.554 -0.099 0.000 2.848 84 T HA 0.507 4.857 4.350 -0.001 0.000 0.285 84 T C -1.158 173.456 174.700 -0.144 0.000 0.995 84 T CA -0.467 61.568 62.100 -0.110 0.000 0.970 84 T CB 2.086 70.906 68.868 -0.079 0.000 0.976 84 T HN -0.121 nan 8.240 nan 0.000 0.441 85 L N 2.937 124.060 121.223 -0.166 0.000 2.406 85 L HA 0.782 5.122 4.340 -0.001 0.000 0.272 85 L C -0.138 176.656 176.870 -0.126 0.000 0.980 85 L CA -0.078 54.643 54.840 -0.199 0.000 0.831 85 L CB 1.403 43.268 42.059 -0.323 0.000 1.253 85 L HN 0.795 nan 8.230 nan 0.000 0.406 86 G N 5.020 113.767 108.800 -0.088 0.000 2.417 86 G HA2 0.586 4.545 3.960 -0.001 0.000 0.320 86 G HA3 0.586 4.545 3.960 -0.001 0.000 0.320 86 G C -0.462 174.439 174.900 0.002 0.000 1.204 86 G CA -0.299 44.780 45.100 -0.034 0.000 0.923 86 G HN 0.626 nan 8.290 nan 0.000 0.466 87 L N 2.098 123.342 121.223 0.035 0.000 3.431 87 L HA 0.246 4.586 4.340 -0.001 0.000 0.316 87 L C 1.079 177.992 176.870 0.071 0.000 1.305 87 L CA -0.590 54.296 54.840 0.076 0.000 0.995 87 L CB 0.198 42.331 42.059 0.124 0.000 1.411 87 L HN 0.637 nan 8.230 nan 0.000 0.610 88 R N -1.123 119.407 120.500 0.049 0.000 2.582 88 R HA 0.458 4.798 4.340 -0.001 0.000 0.271 88 R C 0.304 176.627 176.300 0.038 0.000 1.078 88 R CA -0.128 55.997 56.100 0.042 0.000 1.127 88 R CB 0.500 30.815 30.300 0.025 0.000 1.038 88 R HN 0.068 nan 8.270 nan 0.000 0.500 89 S N 0.503 116.222 115.700 0.031 0.000 3.783 89 S HA -0.136 4.334 4.470 -0.001 0.000 0.360 89 S C -0.670 173.952 174.600 0.036 0.000 1.006 89 S CA 0.800 59.015 58.200 0.025 0.000 1.115 89 S CB -1.708 61.503 63.200 0.018 0.000 0.893 89 S HN 0.862 nan 8.310 nan 0.000 0.475 90 N N 0.573 119.299 118.700 0.044 0.000 3.184 90 N HA 0.459 5.199 4.740 -0.001 0.000 0.353 90 N C 0.656 176.190 175.510 0.040 0.000 1.441 90 N CA -0.868 52.211 53.050 0.048 0.000 0.723 90 N CB 0.660 39.188 38.487 0.067 0.000 1.547 90 N HN 0.202 nan 8.380 nan 0.000 0.624 91 R N 0.154 120.677 120.500 0.039 0.000 2.613 91 R HA 0.392 4.731 4.340 -0.001 0.000 0.361 91 R C -0.267 176.050 176.300 0.028 0.000 1.072 91 R CA -0.258 55.859 56.100 0.028 0.000 1.089 91 R CB 0.007 30.320 30.300 0.022 0.000 1.343 91 R HN 0.320 nan 8.270 nan 0.000 0.571 92 L N 1.545 122.791 121.223 0.038 0.000 2.559 92 L HA -0.038 4.301 4.340 -0.001 0.000 0.274 92 L C 1.289 178.173 176.870 0.023 0.000 1.205 92 L CA 0.604 55.464 54.840 0.033 0.000 0.907 92 L CB 0.455 42.545 42.059 0.053 0.000 1.153 92 L HN 0.064 nan 8.230 nan 0.000 0.490 93 K N 3.631 124.036 120.400 0.009 0.000 2.356 93 K HA 0.188 4.508 4.320 -0.001 0.000 0.195 93 K C -0.469 176.127 176.600 -0.007 0.000 1.037 93 K CA 0.417 56.705 56.287 0.002 0.000 1.014 93 K CB 0.289 32.786 32.500 -0.004 0.000 0.815 93 K HN 0.527 nan 8.250 nan 0.000 0.507 94 L N -3.731 117.482 121.223 -0.018 0.000 2.947 94 L HA 0.419 4.759 4.340 -0.001 0.000 0.267 94 L C -1.413 175.413 176.870 -0.074 0.000 1.004 94 L CA -1.089 53.724 54.840 -0.045 0.000 0.937 94 L CB 0.859 42.886 42.059 -0.053 0.000 1.496 94 L HN -0.310 nan 8.230 nan 0.000 0.409 95 I N 2.326 122.818 120.570 -0.130 0.000 2.337 95 I HA 0.426 4.595 4.170 -0.001 0.000 0.285 95 I C -2.073 173.912 176.117 -0.220 0.000 1.041 95 I CA -1.547 59.616 61.300 -0.227 0.000 1.199 95 I CB 0.378 38.153 38.000 -0.375 0.000 1.370 95 I HN 0.566 nan 8.210 nan 0.000 0.470 96 P HA 0.091 nan 4.420 nan 0.000 0.272 96 P C -0.213 177.005 177.300 -0.137 0.000 1.223 96 P CA -0.637 62.389 63.100 -0.125 0.000 0.784 96 P CB 1.122 32.767 31.700 -0.092 0.000 0.923 97 L N 1.545 122.719 121.223 -0.082 0.000 2.499 97 L HA 0.328 4.668 4.340 -0.001 0.000 0.273 97 L C 1.390 178.237 176.870 -0.039 0.000 1.195 97 L CA 2.018 56.829 54.840 -0.049 0.000 0.882 97 L CB -0.621 41.431 42.059 -0.013 0.000 1.133 97 L HN 0.859 nan 8.230 nan 0.000 0.483 98 G N 2.794 111.585 108.800 -0.015 0.000 2.218 98 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.216 98 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.216 98 G C 0.599 175.506 174.900 0.011 0.000 0.994 98 G CA 0.108 45.215 45.100 0.010 0.000 0.637 98 G HN 0.610 nan 8.290 nan 0.000 0.505 99 V N 0.250 120.122 119.914 -0.071 0.000 2.535 99 V HA 0.189 4.309 4.120 -0.001 0.000 0.246 99 V C 2.076 178.246 176.094 0.127 0.000 1.045 99 V CA 2.000 64.258 62.300 -0.070 0.000 1.058 99 V CB -0.496 31.152 31.823 -0.292 0.000 0.689 99 V HN 0.295 nan 8.190 nan 0.000 0.461 100 F N -0.310 119.725 119.950 0.142 0.000 2.731 100 F HA 0.225 4.752 4.527 -0.001 0.000 0.298 100 F C 1.374 177.236 175.800 0.103 0.000 1.106 100 F CA -0.642 57.428 58.000 0.117 0.000 1.329 100 F CB -1.103 37.947 39.000 0.083 0.000 1.100 100 F HN -0.023 nan 8.300 nan 0.000 0.592 101 T N 0.741 115.453 114.554 0.264 0.000 2.866 101 T HA 0.336 4.685 4.350 -0.001 0.000 0.293 101 T C 1.330 176.161 174.700 0.217 0.000 1.005 101 T CA 1.163 63.384 62.100 0.202 0.000 1.162 101 T CB 0.100 69.057 68.868 0.148 0.000 0.968 101 T HN 0.606 nan 8.240 nan 0.000 0.530 102 G N 2.830 111.756 108.800 0.208 0.000 2.176 102 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.253 102 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.253 102 G C 0.311 175.362 174.900 0.251 0.000 0.979 102 G CA -0.288 44.975 45.100 0.271 0.000 0.641 102 G HN 0.687 nan 8.290 nan 0.000 0.530 103 L N 1.639 122.960 121.223 0.163 0.000 3.096 103 L HA 0.331 4.671 4.340 -0.001 0.000 0.247 103 L C 1.652 178.482 176.870 -0.068 0.000 1.321 103 L CA 0.054 54.930 54.840 0.060 0.000 1.044 103 L CB 0.770 42.847 42.059 0.030 0.000 1.434 103 L HN 0.146 nan 8.230 nan 0.000 0.533 104 S N -0.158 115.482 115.700 -0.100 0.000 2.436 104 S HA -0.087 4.382 4.470 -0.001 0.000 0.228 104 S C 1.716 176.138 174.600 -0.297 0.000 1.014 104 S CA 0.739 58.709 58.200 -0.383 0.000 0.950 104 S CB -0.035 62.867 63.200 -0.496 0.000 0.784 104 S HN 0.544 nan 8.310 nan 0.000 0.504 105 N N 1.276 119.912 118.700 -0.107 0.000 2.459 105 N HA 0.040 4.780 4.740 -0.001 0.000 0.181 105 N C 0.258 175.720 175.510 -0.080 0.000 1.046 105 N CA 0.044 53.059 53.050 -0.059 0.000 0.904 105 N CB -0.442 38.058 38.487 0.020 0.000 0.964 105 N HN 0.230 nan 8.380 nan 0.000 0.444 106 L N 0.191 121.346 121.223 -0.115 0.000 2.514 106 L HA -0.009 4.330 4.340 -0.001 0.000 0.280 106 L C 1.026 177.816 176.870 -0.133 0.000 1.223 106 L CA 1.003 55.761 54.840 -0.137 0.000 0.864 106 L CB 0.678 42.619 42.059 -0.197 0.000 1.118 106 L HN 0.058 nan 8.230 nan 0.000 0.494 107 T N 2.638 117.123 114.554 -0.115 0.000 2.954 107 T HA 0.178 4.528 4.350 -0.001 0.000 0.252 107 T C -0.027 174.612 174.700 -0.102 0.000 0.983 107 T CA -0.062 61.982 62.100 -0.093 0.000 0.941 107 T CB 0.151 68.979 68.868 -0.066 0.000 1.141 107 T HN 0.490 nan 8.240 nan 0.000 0.500 108 K N 1.100 121.428 120.400 -0.119 0.000 2.535 108 K HA 0.602 4.921 4.320 -0.001 0.000 0.251 108 K C -2.383 174.133 176.600 -0.140 0.000 0.942 108 K CA -0.823 55.394 56.287 -0.116 0.000 0.798 108 K CB 1.970 34.416 32.500 -0.089 0.000 1.267 108 K HN 0.030 nan 8.250 nan 0.000 0.434 109 L N 3.118 124.258 121.223 -0.138 0.000 2.470 109 L HA 0.504 4.844 4.340 -0.001 0.000 0.268 109 L C -1.908 174.916 176.870 -0.077 0.000 0.964 109 L CA -0.225 54.533 54.840 -0.136 0.000 0.839 109 L CB 1.966 43.907 42.059 -0.197 0.000 1.276 109 L HN 0.666 nan 8.230 nan 0.000 0.403 110 D N 4.636 125.011 120.400 -0.042 0.000 2.344 110 D HA 0.469 5.109 4.640 -0.001 0.000 0.239 110 D C 0.149 176.477 176.300 0.046 0.000 1.064 110 D CA -0.173 53.826 54.000 -0.002 0.000 0.829 110 D CB 1.156 41.952 40.800 -0.008 0.000 1.129 110 D HN 0.584 nan 8.370 nan 0.000 0.506 111 I N 0.605 121.226 120.570 0.085 0.000 3.817 111 I HA 0.274 4.443 4.170 -0.001 0.000 0.325 111 I C 0.309 176.489 176.117 0.105 0.000 1.550 111 I CA -0.664 60.713 61.300 0.128 0.000 1.100 111 I CB 0.285 38.419 38.000 0.224 0.000 1.216 111 I HN 0.091 nan 8.210 nan 0.000 0.481 112 S N 0.508 116.250 115.700 0.070 0.000 2.596 112 S HA 0.280 4.750 4.470 -0.001 0.000 0.260 112 S C 0.580 175.204 174.600 0.040 0.000 1.336 112 S CA -0.128 58.104 58.200 0.053 0.000 0.993 112 S CB 0.556 63.774 63.200 0.031 0.000 0.923 112 S HN 0.528 nan 8.310 nan 0.000 0.567 113 E N -0.243 119.972 120.200 0.024 0.000 2.476 113 E HA -0.207 4.143 4.350 -0.001 0.000 0.251 113 E C -0.037 176.577 176.600 0.024 0.000 1.130 113 E CA 0.468 56.874 56.400 0.011 0.000 0.736 113 E CB -1.557 28.140 29.700 -0.006 0.000 1.298 113 E HN 0.601 nan 8.360 nan 0.000 0.400 114 N N -0.273 118.449 118.700 0.037 0.000 2.948 114 N HA 0.274 5.014 4.740 -0.001 0.000 0.323 114 N C 0.544 176.072 175.510 0.031 0.000 1.374 114 N CA -0.516 52.559 53.050 0.040 0.000 0.765 114 N CB 0.480 39.002 38.487 0.058 0.000 1.152 114 N HN -0.113 nan 8.380 nan 0.000 0.528 115 K N 0.924 121.342 120.400 0.030 0.000 2.478 115 K HA 0.410 4.730 4.320 -0.001 0.000 0.205 115 K C -0.189 176.424 176.600 0.021 0.000 1.033 115 K CA -0.352 55.947 56.287 0.021 0.000 1.091 115 K CB -0.048 32.462 32.500 0.016 0.000 0.844 115 K HN 0.438 nan 8.250 nan 0.000 0.507 116 I N 1.428 122.016 120.570 0.030 0.000 2.752 116 I HA -0.126 4.044 4.170 -0.001 0.000 0.289 116 I C 1.466 177.599 176.117 0.026 0.000 1.197 116 I CA 0.070 61.387 61.300 0.028 0.000 1.432 116 I CB 0.762 38.789 38.000 0.045 0.000 1.359 116 I HN -0.211 nan 8.210 nan 0.000 0.571 117 V N 7.207 127.132 119.914 0.019 0.000 3.307 117 V HA 0.250 4.370 4.120 -0.001 0.000 0.253 117 V C 0.551 176.668 176.094 0.039 0.000 1.149 117 V CA 0.646 62.960 62.300 0.023 0.000 1.112 117 V CB -0.082 31.749 31.823 0.013 0.000 0.777 117 V HN 0.568 nan 8.190 nan 0.000 0.464 118 I N 0.166 120.756 120.570 0.032 0.000 2.731 118 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 118 I C -1.617 174.498 176.117 -0.002 0.000 1.399 118 I CA -0.326 61.003 61.300 0.048 0.000 1.048 118 I CB 2.753 40.789 38.000 0.061 0.000 1.345 118 I HN -0.021 nan 8.210 nan 0.000 0.425 119 L N 6.927 128.121 121.223 -0.048 0.000 2.277 119 L HA 0.545 4.885 4.340 -0.001 0.000 0.284 119 L C -0.371 176.397 176.870 -0.169 0.000 1.028 119 L CA -0.362 54.407 54.840 -0.118 0.000 0.835 119 L CB 0.933 42.899 42.059 -0.154 0.000 1.215 119 L HN 0.366 nan 8.230 nan 0.000 0.425 120 L N 1.165 122.301 121.223 -0.144 0.000 2.440 120 L HA 0.414 4.754 4.340 -0.001 0.000 0.262 120 L C 0.005 176.737 176.870 -0.231 0.000 1.072 120 L CA -1.080 53.670 54.840 -0.150 0.000 0.798 120 L CB 0.920 42.928 42.059 -0.087 0.000 1.307 120 L HN 0.460 nan 8.230 nan 0.000 0.475 121 D N 0.123 120.346 120.400 -0.296 0.000 2.525 121 D HA 0.012 4.652 4.640 -0.001 0.000 0.235 121 D C -0.189 175.858 176.300 -0.422 0.000 1.137 121 D CA 0.735 54.384 54.000 -0.584 0.000 0.868 121 D CB 0.093 40.361 40.800 -0.886 0.000 1.180 121 D HN 0.397 nan 8.370 nan 0.000 0.465 122 Y N -1.324 118.966 120.300 -0.017 0.000 4.798 122 Y HA -0.329 4.221 4.550 -0.001 0.000 0.237 122 Y C 1.733 177.633 175.900 0.001 0.000 1.017 122 Y CA 0.506 58.622 58.100 0.027 0.000 2.010 122 Y CB -2.357 36.124 38.460 0.035 0.000 1.582 122 Y HN 0.524 nan 8.280 nan 0.000 0.621 123 M N -1.120 118.466 119.600 -0.023 0.000 2.202 123 M HA -0.155 4.325 4.480 -0.001 0.000 0.262 123 M C 0.988 177.142 176.300 -0.244 0.000 1.063 123 M CA 2.001 57.163 55.300 -0.229 0.000 1.097 123 M CB -0.152 32.136 32.600 -0.521 0.000 1.382 123 M HN 0.282 nan 8.290 nan 0.000 0.413 124 F N -0.780 119.282 119.950 0.187 0.000 2.653 124 F HA 0.173 4.700 4.527 -0.001 0.000 0.304 124 F C 2.008 177.924 175.800 0.195 0.000 1.092 124 F CA -0.063 58.061 58.000 0.207 0.000 1.279 124 F CB -0.450 38.651 39.000 0.169 0.000 1.044 124 F HN 0.204 nan 8.300 nan 0.000 0.564 125 Q N 0.829 120.829 119.800 0.333 0.000 2.217 125 Q HA -0.239 4.101 4.340 -0.001 0.000 0.209 125 Q C 1.473 177.653 176.000 0.300 0.000 0.988 125 Q CA 2.119 58.102 55.803 0.299 0.000 0.878 125 Q CB -0.064 28.824 28.738 0.251 0.000 0.909 125 Q HN 0.322 nan 8.270 nan 0.000 0.424 126 D N -0.301 120.263 120.400 0.274 0.000 2.269 126 D HA -0.049 4.590 4.640 -0.001 0.000 0.208 126 D C 0.072 176.413 176.300 0.068 0.000 0.963 126 D CA 0.635 54.778 54.000 0.237 0.000 0.864 126 D CB 0.204 41.154 40.800 0.251 0.000 0.936 126 D HN 0.315 nan 8.370 nan 0.000 0.505 127 L N 2.074 123.333 121.223 0.060 0.000 2.598 127 L HA 0.171 4.511 4.340 -0.001 0.000 0.241 127 L C 0.597 177.440 176.870 -0.045 0.000 1.244 127 L CA -0.568 54.207 54.840 -0.108 0.000 1.198 127 L CB -0.351 41.640 42.059 -0.112 0.000 1.448 127 L HN 0.027 nan 8.230 nan 0.000 0.406 128 Y N -2.212 118.124 120.300 0.060 0.000 2.490 128 Y HA 0.211 4.761 4.550 -0.001 0.000 0.281 128 Y C 1.295 177.215 175.900 0.033 0.000 1.174 128 Y CA -0.260 57.874 58.100 0.058 0.000 1.295 128 Y CB -0.326 38.173 38.460 0.065 0.000 1.062 128 Y HN 0.314 nan 8.280 nan 0.000 0.522 129 N N 0.624 119.287 118.700 -0.062 0.000 2.214 129 N HA 0.110 4.850 4.740 -0.001 0.000 0.214 129 N C -0.575 174.908 175.510 -0.046 0.000 1.132 129 N CA -0.134 52.907 53.050 -0.015 0.000 0.856 129 N CB 0.422 38.874 38.487 -0.058 0.000 1.020 129 N HN 0.244 nan 8.380 nan 0.000 0.509 130 L N 1.562 122.748 121.223 -0.061 0.000 2.462 130 L HA 0.068 4.408 4.340 -0.001 0.000 0.272 130 L C 1.347 178.179 176.870 -0.064 0.000 1.166 130 L CA 0.530 55.319 54.840 -0.085 0.000 0.880 130 L CB 0.736 42.729 42.059 -0.110 0.000 1.142 130 L HN -0.130 nan 8.230 nan 0.000 0.473 131 K N 1.533 121.891 120.400 -0.071 0.000 2.276 131 K HA 0.205 4.525 4.320 -0.001 0.000 0.198 131 K C 0.128 176.680 176.600 -0.080 0.000 1.052 131 K CA 0.283 56.534 56.287 -0.061 0.000 0.984 131 K CB 0.548 33.018 32.500 -0.051 0.000 0.836 131 K HN 0.547 nan 8.250 nan 0.000 0.490 132 S N 0.566 116.208 115.700 -0.097 0.000 2.575 132 S HA 0.518 4.988 4.470 -0.001 0.000 0.278 132 S C -1.952 172.569 174.600 -0.131 0.000 1.139 132 S CA -0.758 57.378 58.200 -0.105 0.000 0.954 132 S CB 0.865 64.016 63.200 -0.083 0.000 1.054 132 S HN 0.113 nan 8.310 nan 0.000 0.483 133 L N 4.206 125.338 121.223 -0.151 0.000 2.406 133 L HA 0.660 5.000 4.340 -0.001 0.000 0.272 133 L C -0.752 176.041 176.870 -0.128 0.000 0.980 133 L CA -0.078 54.656 54.840 -0.176 0.000 0.831 133 L CB 1.832 43.718 42.059 -0.288 0.000 1.253 133 L HN 0.740 nan 8.230 nan 0.000 0.406 134 E N 3.834 123.988 120.200 -0.077 0.000 2.145 134 E HA 0.666 5.016 4.350 -0.001 0.000 0.270 134 E C -1.864 174.742 176.600 0.010 0.000 0.906 134 E CA -0.536 55.846 56.400 -0.030 0.000 0.761 134 E CB 1.899 31.590 29.700 -0.015 0.000 1.116 134 E HN 0.554 nan 8.360 nan 0.000 0.408 135 V N 3.385 123.323 119.914 0.040 0.000 3.087 135 V HA 0.905 5.025 4.120 -0.001 0.000 0.306 135 V C -0.883 175.270 176.094 0.098 0.000 1.187 135 V CA 0.535 62.896 62.300 0.100 0.000 0.999 135 V CB 1.909 33.833 31.823 0.168 0.000 1.049 135 V HN 0.902 nan 8.190 nan 0.000 0.431 136 G N 4.167 113.026 108.800 0.098 0.000 2.379 136 G HA2 0.492 4.452 3.960 -0.001 0.000 0.609 136 G HA3 0.492 4.452 3.960 -0.001 0.000 0.609 136 G C -1.732 173.197 174.900 0.048 0.000 1.484 136 G CA -0.005 45.140 45.100 0.075 0.000 0.921 136 G HN 1.667 nan 8.290 nan 0.000 0.658 137 D N -0.798 119.624 120.400 0.037 0.000 2.639 137 D HA 0.456 5.095 4.640 -0.001 0.000 0.271 137 D C 0.627 176.935 176.300 0.014 0.000 1.254 137 D CA -0.872 53.140 54.000 0.020 0.000 0.810 137 D CB 0.297 41.113 40.800 0.026 0.000 1.351 137 D HN 0.175 nan 8.370 nan 0.000 0.427 138 N N -0.417 118.286 118.700 0.004 0.000 2.348 138 N HA -0.081 4.659 4.740 -0.001 0.000 0.185 138 N C 0.339 175.855 175.510 0.011 0.000 1.019 138 N CA 0.970 54.023 53.050 0.005 0.000 0.880 138 N CB -0.112 38.375 38.487 -0.000 0.000 0.965 138 N HN 0.389 nan 8.380 nan 0.000 0.437 139 D N -0.395 120.013 120.400 0.014 0.000 2.333 139 D HA 0.000 4.640 4.640 -0.001 0.000 0.208 139 D C 0.278 176.591 176.300 0.022 0.000 0.984 139 D CA -0.081 53.929 54.000 0.016 0.000 0.873 139 D CB -0.073 40.735 40.800 0.014 0.000 0.935 139 D HN 0.134 nan 8.370 nan 0.000 0.521 140 L N 1.709 122.948 121.223 0.026 0.000 2.477 140 L HA 0.018 4.358 4.340 -0.001 0.000 0.272 140 L C 0.840 177.730 176.870 0.035 0.000 1.157 140 L CA 0.255 55.114 54.840 0.033 0.000 0.889 140 L CB 0.858 42.939 42.059 0.037 0.000 1.158 140 L HN -0.081 nan 8.230 nan 0.000 0.473 141 V N 2.780 122.727 119.914 0.056 0.000 3.451 141 V HA 0.397 4.517 4.120 -0.001 0.000 0.288 141 V C -0.362 175.821 176.094 0.149 0.000 1.502 141 V CA -0.415 61.928 62.300 0.071 0.000 1.026 141 V CB -0.679 31.177 31.823 0.054 0.000 0.840 141 V HN 0.737 nan 8.190 nan 0.000 0.437 142 Y N 0.019 120.299 120.300 -0.033 0.000 2.436 142 Y HA 0.729 5.279 4.550 -0.001 0.000 0.327 142 Y C -1.508 174.353 175.900 -0.065 0.000 1.138 142 Y CA -1.402 56.668 58.100 -0.050 0.000 1.042 142 Y CB 1.908 40.330 38.460 -0.064 0.000 1.302 142 Y HN 0.113 nan 8.280 nan 0.000 0.439 143 I N 5.654 125.745 120.570 -0.799 0.000 2.410 143 I HA 0.352 4.522 4.170 -0.001 0.000 0.286 143 I C -0.209 175.294 176.117 -1.024 0.000 1.009 143 I CA -0.754 60.141 61.300 -0.674 0.000 1.111 143 I CB 1.848 39.637 38.000 -0.351 0.000 1.262 143 I HN 0.690 nan 8.210 nan 0.000 0.443 144 S N 4.325 119.575 115.700 -0.750 0.000 2.585 144 S HA 0.141 4.610 4.470 -0.001 0.000 0.273 144 S C 1.233 175.606 174.600 -0.378 0.000 1.339 144 S CA -0.311 57.571 58.200 -0.531 0.000 1.028 144 S CB 0.651 63.710 63.200 -0.234 0.000 0.906 144 S HN 0.563 nan 8.310 nan 0.000 0.528 145 H N 1.987 120.931 119.070 -0.211 0.000 2.431 145 H HA -0.054 4.502 4.556 -0.001 0.000 0.297 145 H C 1.334 176.422 175.328 -0.400 0.000 1.115 145 H CA 1.809 57.744 56.048 -0.189 0.000 1.277 145 H CB -0.131 29.597 29.762 -0.057 0.000 1.372 145 H HN 0.629 nan 8.280 nan 0.000 0.516 146 R N 0.129 120.440 120.500 -0.314 0.000 2.586 146 R HA 0.349 4.689 4.340 -0.001 0.000 0.336 146 R C 1.770 177.820 176.300 -0.417 0.000 1.060 146 R CA 0.275 56.082 56.100 -0.489 0.000 1.079 146 R CB 0.611 30.641 30.300 -0.450 0.000 1.317 146 R HN 0.161 nan 8.270 nan 0.000 0.568 147 A N 0.519 123.090 122.820 -0.416 0.000 1.908 147 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 147 A C 1.126 178.530 177.584 -0.301 0.000 1.181 147 A CA 1.286 53.056 52.037 -0.445 0.000 0.627 147 A CB -0.233 18.363 19.000 -0.673 0.000 0.818 147 A HN 0.258 nan 8.150 nan 0.000 0.445 148 F N 0.264 120.219 119.950 0.008 0.000 2.732 148 F HA 0.260 4.786 4.527 -0.001 0.000 0.303 148 F C 1.359 177.207 175.800 0.080 0.000 1.110 148 F CA -0.182 57.856 58.000 0.063 0.000 1.355 148 F CB -0.418 38.573 39.000 -0.014 0.000 1.081 148 F HN 0.046 nan 8.300 nan 0.000 0.565 149 S N 0.151 115.946 115.700 0.157 0.000 2.552 149 S HA 0.367 4.837 4.470 -0.001 0.000 0.289 149 S C 1.309 176.088 174.600 0.299 0.000 1.304 149 S CA 0.930 59.270 58.200 0.234 0.000 1.063 149 S CB 0.288 63.622 63.200 0.223 0.000 0.848 149 S HN 0.828 nan 8.310 nan 0.000 0.499 150 G N 3.567 112.534 108.800 0.278 0.000 2.254 150 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.225 150 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.225 150 G C 0.228 175.275 174.900 0.246 0.000 1.003 150 G CA 0.054 45.312 45.100 0.262 0.000 0.622 150 G HN 0.764 nan 8.290 nan 0.000 0.507 151 L N 2.381 123.738 121.223 0.224 0.000 2.416 151 L HA 0.230 4.569 4.340 -0.001 0.000 0.243 151 L C 1.437 178.381 176.870 0.124 0.000 1.373 151 L CA -0.570 54.364 54.840 0.156 0.000 1.227 151 L CB -0.182 41.937 42.059 0.100 0.000 1.428 151 L HN 0.131 nan 8.230 nan 0.000 0.425 152 N N -0.306 118.486 118.700 0.154 0.000 2.309 152 N HA -0.111 4.628 4.740 -0.001 0.000 0.182 152 N C 1.351 176.921 175.510 0.099 0.000 1.018 152 N CA 0.931 54.060 53.050 0.132 0.000 0.876 152 N CB 0.179 38.749 38.487 0.139 0.000 0.972 152 N HN 0.361 nan 8.380 nan 0.000 0.434 153 S N 0.174 115.925 115.700 0.085 0.000 2.540 153 S HA 0.173 4.643 4.470 -0.001 0.000 0.218 153 S C 0.415 175.023 174.600 0.013 0.000 0.977 153 S CA -0.524 57.706 58.200 0.051 0.000 0.918 153 S CB 0.329 63.559 63.200 0.051 0.000 0.806 153 S HN 0.120 nan 8.310 nan 0.000 0.496 154 L N 2.654 123.877 121.223 -0.001 0.000 2.513 154 L HA 0.115 4.454 4.340 -0.001 0.000 0.272 154 L C 1.004 177.846 176.870 -0.046 0.000 1.187 154 L CA 1.018 55.829 54.840 -0.048 0.000 0.895 154 L CB 0.349 42.354 42.059 -0.089 0.000 1.147 154 L HN 0.119 nan 8.230 nan 0.000 0.483 155 E N 2.010 122.176 120.200 -0.056 0.000 2.399 155 E HA 0.090 4.439 4.350 -0.001 0.000 0.205 155 E C -0.234 176.326 176.600 -0.067 0.000 0.906 155 E CA 0.050 56.421 56.400 -0.049 0.000 0.998 155 E CB 0.716 30.393 29.700 -0.040 0.000 1.002 155 E HN 0.650 nan 8.360 nan 0.000 0.501 156 Q N 1.287 121.035 119.800 -0.087 0.000 2.269 156 Q HA 0.413 4.753 4.340 -0.001 0.000 0.263 156 Q C -2.093 173.834 176.000 -0.121 0.000 0.983 156 Q CA -0.597 55.152 55.803 -0.090 0.000 0.777 156 Q CB 1.532 30.226 28.738 -0.074 0.000 1.273 156 Q HN 0.037 nan 8.270 nan 0.000 0.440 157 L N 3.153 124.299 121.223 -0.129 0.000 2.376 157 L HA 0.660 5.000 4.340 -0.001 0.000 0.275 157 L C -1.385 175.426 176.870 -0.099 0.000 0.987 157 L CA 0.146 54.885 54.840 -0.167 0.000 0.828 157 L CB 2.411 44.300 42.059 -0.282 0.000 1.249 157 L HN 0.638 nan 8.230 nan 0.000 0.409 158 T N 6.245 120.756 114.554 -0.072 0.000 2.756 158 T HA 0.521 4.871 4.350 -0.001 0.000 0.290 158 T C -0.795 173.911 174.700 0.009 0.000 0.985 158 T CA -0.108 61.985 62.100 -0.011 0.000 0.955 158 T CB 0.905 69.775 68.868 0.005 0.000 0.930 158 T HN 0.460 nan 8.240 nan 0.000 0.451 159 L N 5.118 126.370 121.223 0.049 0.000 2.324 159 L HA 0.522 4.861 4.340 -0.001 0.000 0.274 159 L C -0.104 176.825 176.870 0.098 0.000 1.012 159 L CA -0.347 54.538 54.840 0.075 0.000 0.859 159 L CB 0.342 42.452 42.059 0.085 0.000 1.224 159 L HN 0.713 nan 8.230 nan 0.000 0.429 160 E N 3.545 123.796 120.200 0.084 0.000 2.369 160 E HA 0.453 4.803 4.350 -0.001 0.000 0.270 160 E C -0.655 175.978 176.600 0.056 0.000 0.909 160 E CA -0.775 55.683 56.400 0.096 0.000 0.775 160 E CB 1.440 31.208 29.700 0.112 0.000 1.270 160 E HN 0.423 nan 8.360 nan 0.000 0.445 161 K N -0.582 119.855 120.400 0.062 0.000 3.281 161 K HA -0.151 4.168 4.320 -0.001 0.000 0.295 161 K C -0.427 176.177 176.600 0.007 0.000 1.233 161 K CA 0.863 57.160 56.287 0.017 0.000 0.866 161 K CB -2.378 30.096 32.500 -0.042 0.000 1.265 161 K HN 0.614 nan 8.250 nan 0.000 0.482 162 C N 0.195 119.495 119.300 -0.001 0.000 2.396 162 C HA 0.267 4.726 4.460 -0.001 0.000 0.359 162 C C 1.307 176.286 174.990 -0.019 0.000 1.307 162 C CA -0.653 58.361 59.018 -0.007 0.000 2.392 162 C CB 0.755 28.488 27.740 -0.012 0.000 2.245 162 C HN 0.357 nan 8.230 nan 0.000 0.615 163 N N 0.444 119.139 118.700 -0.008 0.000 2.467 163 N HA 0.357 5.096 4.740 -0.001 0.000 0.278 163 N C -0.863 174.641 175.510 -0.011 0.000 1.306 163 N CA -0.059 52.987 53.050 -0.006 0.000 0.905 163 N CB -0.151 38.342 38.487 0.009 0.000 1.236 163 N HN 0.482 nan 8.380 nan 0.000 0.509 164 L N 0.085 121.288 121.223 -0.033 0.000 2.426 164 L HA 0.175 4.514 4.340 -0.001 0.000 0.271 164 L C 1.814 178.657 176.870 -0.045 0.000 1.169 164 L CA -0.094 54.728 54.840 -0.031 0.000 0.836 164 L CB 0.663 42.693 42.059 -0.048 0.000 1.112 164 L HN 0.259 nan 8.230 nan 0.000 0.465 165 T N -2.552 111.992 114.554 -0.016 0.000 2.985 165 T HA 0.022 4.372 4.350 -0.001 0.000 0.266 165 T C 0.743 175.432 174.700 -0.018 0.000 1.076 165 T CA 0.580 62.671 62.100 -0.015 0.000 1.135 165 T CB -0.007 68.863 68.868 0.003 0.000 0.890 165 T HN 0.693 nan 8.240 nan 0.000 0.480 166 S N -0.349 115.340 115.700 -0.019 0.000 2.752 166 S HA 0.625 5.094 4.470 -0.001 0.000 0.284 166 S C -0.941 173.644 174.600 -0.025 0.000 1.189 166 S CA -1.284 56.908 58.200 -0.013 0.000 0.835 166 S CB 0.608 63.815 63.200 0.012 0.000 1.192 166 S HN 0.233 nan 8.310 nan 0.000 0.506 167 I N 2.618 123.182 120.570 -0.009 0.000 2.556 167 I HA 0.258 4.427 4.170 -0.001 0.000 0.284 167 I C -1.823 174.281 176.117 -0.021 0.000 1.114 167 I CA -1.743 59.548 61.300 -0.015 0.000 1.418 167 I CB 0.743 38.695 38.000 -0.079 0.000 1.394 167 I HN 0.489 nan 8.210 nan 0.000 0.552 168 P HA 0.075 nan 4.420 nan 0.000 0.237 168 P C 0.573 177.901 177.300 0.046 0.000 1.788 168 P CA -0.103 63.014 63.100 0.027 0.000 1.061 168 P CB 0.103 31.836 31.700 0.055 0.000 1.967 169 T N 0.576 115.135 114.554 0.007 0.000 2.622 169 T HA -0.211 4.139 4.350 -0.001 0.000 0.266 169 T C 1.606 176.340 174.700 0.056 0.000 1.047 169 T CA 1.768 63.864 62.100 -0.008 0.000 1.159 169 T CB -0.340 68.506 68.868 -0.038 0.000 0.863 169 T HN 0.395 nan 8.240 nan 0.000 0.422 170 E N 0.802 121.043 120.200 0.068 0.000 2.118 170 E HA -0.124 4.226 4.350 -0.001 0.000 0.195 170 E C 2.308 179.016 176.600 0.181 0.000 0.992 170 E CA 1.049 57.495 56.400 0.076 0.000 0.804 170 E CB -0.277 29.364 29.700 -0.098 0.000 0.741 170 E HN 0.461 nan 8.360 nan 0.000 0.458 171 A N 0.935 123.860 122.820 0.174 0.000 1.883 171 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 171 A C 2.207 179.962 177.584 0.286 0.000 1.186 171 A CA 1.402 53.542 52.037 0.171 0.000 0.624 171 A CB -0.787 18.286 19.000 0.122 0.000 0.822 171 A HN 0.349 nan 8.150 nan 0.000 0.444 172 L N 0.634 121.991 121.223 0.222 0.000 2.191 172 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 172 L C 2.777 179.700 176.870 0.089 0.000 1.103 172 L CA 1.380 56.300 54.840 0.133 0.000 0.769 172 L CB -0.404 41.718 42.059 0.105 0.000 0.908 172 L HN 0.630 nan 8.230 nan 0.000 0.438 173 S N -1.955 113.819 115.700 0.122 0.000 2.555 173 S HA -0.157 4.313 4.470 -0.001 0.000 0.230 173 S C 1.531 176.073 174.600 -0.097 0.000 0.978 173 S CA 0.534 58.755 58.200 0.035 0.000 0.934 173 S CB -0.435 62.800 63.200 0.058 0.000 0.766 173 S HN 0.476 nan 8.310 nan 0.000 0.533 174 H N 0.726 119.709 119.070 -0.144 0.000 2.548 174 H HA 0.381 4.936 4.556 -0.001 0.000 0.268 174 H C 0.331 175.382 175.328 -0.462 0.000 0.975 174 H CA 0.395 56.281 56.048 -0.271 0.000 1.195 174 H CB -0.090 29.662 29.762 -0.018 0.000 1.397 174 H HN 0.355 nan 8.280 nan 0.000 0.572 175 L N 1.870 122.965 121.223 -0.214 0.000 2.598 175 L HA 0.072 4.412 4.340 -0.001 0.000 0.241 175 L C 0.715 177.503 176.870 -0.136 0.000 1.244 175 L CA -0.250 54.498 54.840 -0.154 0.000 1.198 175 L CB 0.056 42.043 42.059 -0.120 0.000 1.448 175 L HN 0.399 nan 8.230 nan 0.000 0.406 176 H N 1.039 120.153 119.070 0.073 0.000 2.489 176 H HA -0.045 4.511 4.556 -0.001 0.000 0.293 176 H C 1.817 177.208 175.328 0.106 0.000 1.066 176 H CA 1.073 57.186 56.048 0.108 0.000 1.305 176 H CB 0.177 30.055 29.762 0.193 0.000 1.386 176 H HN 0.602 nan 8.280 nan 0.000 0.551 177 G N 0.289 109.178 108.800 0.149 0.000 3.337 177 G HA2 0.159 4.118 3.960 -0.001 0.000 0.246 177 G HA3 0.159 4.118 3.960 -0.001 0.000 0.246 177 G C 0.254 175.175 174.900 0.035 0.000 1.131 177 G CA -0.343 44.814 45.100 0.095 0.000 0.773 177 G HN 0.082 nan 8.290 nan 0.000 0.544 178 L N 1.236 122.464 121.223 0.010 0.000 2.462 178 L HA 0.312 4.651 4.340 -0.001 0.000 0.272 178 L C 1.147 178.002 176.870 -0.026 0.000 1.166 178 L CA 0.379 55.200 54.840 -0.032 0.000 0.880 178 L CB 0.668 42.690 42.059 -0.062 0.000 1.142 178 L HN 0.119 nan 8.230 nan 0.000 0.473 179 I N 3.871 124.418 120.570 -0.038 0.000 3.172 179 I HA 0.097 4.267 4.170 -0.001 0.000 0.278 179 I C -0.186 175.897 176.117 -0.056 0.000 1.174 179 I CA 0.203 61.479 61.300 -0.040 0.000 1.445 179 I CB 0.342 38.320 38.000 -0.037 0.000 1.175 179 I HN 0.246 nan 8.210 nan 0.000 0.447 180 V N 2.896 122.773 119.914 -0.062 0.000 2.487 180 V HA 0.432 4.552 4.120 -0.001 0.000 0.298 180 V C -1.018 175.036 176.094 -0.066 0.000 1.028 180 V CA -0.616 61.645 62.300 -0.066 0.000 0.860 180 V CB 2.418 34.203 31.823 -0.063 0.000 0.991 180 V HN 0.049 nan 8.190 nan 0.000 0.427 181 L N 6.367 127.554 121.223 -0.061 0.000 2.372 181 L HA 0.669 5.009 4.340 -0.001 0.000 0.274 181 L C -0.462 176.406 176.870 -0.004 0.000 0.988 181 L CA -0.239 54.578 54.840 -0.038 0.000 0.833 181 L CB 1.545 43.587 42.059 -0.029 0.000 1.236 181 L HN 0.533 nan 8.230 nan 0.000 0.410 182 R N 6.662 127.176 120.500 0.022 0.000 2.310 182 R HA 0.530 4.869 4.340 -0.001 0.000 0.324 182 R C -1.337 175.049 176.300 0.144 0.000 0.955 182 R CA -0.607 55.534 56.100 0.069 0.000 0.830 182 R CB 1.388 31.721 30.300 0.054 0.000 1.154 182 R HN 0.644 nan 8.270 nan 0.000 0.458 183 L N 4.840 126.206 121.223 0.238 0.000 2.313 183 L HA 0.487 4.827 4.340 -0.001 0.000 0.273 183 L C 0.138 177.333 176.870 0.541 0.000 1.028 183 L CA -0.441 54.640 54.840 0.402 0.000 0.871 183 L CB 0.811 43.255 42.059 0.641 0.000 1.242 183 L HN 0.336 nan 8.230 nan 0.000 0.434 184 R N 0.856 121.574 120.500 0.363 0.000 2.532 184 R HA 0.491 4.830 4.340 -0.001 0.000 0.295 184 R C -0.470 176.024 176.300 0.323 0.000 0.968 184 R CA -1.182 55.141 56.100 0.371 0.000 0.916 184 R CB 1.055 31.563 30.300 0.347 0.000 1.124 184 R HN 0.454 nan 8.270 nan 0.000 0.463 185 H N 0.143 119.344 119.070 0.219 0.000 2.677 185 H HA -0.170 4.385 4.556 -0.001 0.000 0.321 185 H C -0.948 174.323 175.328 -0.094 0.000 1.171 185 H CA 0.435 56.522 56.048 0.065 0.000 1.139 185 H CB -1.543 28.216 29.762 -0.004 0.000 1.515 185 H HN 0.326 nan 8.280 nan 0.000 0.423 186 L N -0.332 120.725 121.223 -0.276 0.000 2.313 186 L HA 0.386 4.725 4.340 -0.001 0.000 0.268 186 L C 1.209 177.865 176.870 -0.357 0.000 1.010 186 L CA -0.935 53.620 54.840 -0.475 0.000 0.814 186 L CB 1.013 42.502 42.059 -0.950 0.000 1.304 186 L HN 0.186 nan 8.230 nan 0.000 0.441 187 N N 1.090 119.679 118.700 -0.184 0.000 2.235 187 N HA 0.264 5.004 4.740 -0.001 0.000 0.209 187 N C -0.095 175.486 175.510 0.118 0.000 1.122 187 N CA 0.052 53.163 53.050 0.103 0.000 0.845 187 N CB 0.307 38.907 38.487 0.188 0.000 1.004 187 N HN 0.429 nan 8.380 nan 0.000 0.499 188 I N 2.123 122.620 120.570 -0.123 0.000 2.556 188 I HA -0.057 4.113 4.170 -0.001 0.000 0.284 188 I C 1.390 177.652 176.117 0.241 0.000 1.114 188 I CA -0.136 61.155 61.300 -0.016 0.000 1.418 188 I CB 0.554 38.441 38.000 -0.190 0.000 1.394 188 I HN 0.060 nan 8.210 nan 0.000 0.552 189 N N 4.991 123.818 118.700 0.210 0.000 2.236 189 N HA 0.245 4.984 4.740 -0.001 0.000 0.196 189 N C -0.266 175.366 175.510 0.204 0.000 1.114 189 N CA -0.079 53.115 53.050 0.240 0.000 0.859 189 N CB 0.746 39.328 38.487 0.158 0.000 0.982 189 N HN 0.572 nan 8.380 nan 0.000 0.493 190 A N 0.278 123.220 122.820 0.204 0.000 2.549 190 A HA 0.691 5.011 4.320 -0.001 0.000 0.297 190 A C -1.415 176.282 177.584 0.188 0.000 1.061 190 A CA -0.739 51.392 52.037 0.157 0.000 0.690 190 A CB 1.127 20.183 19.000 0.093 0.000 1.287 190 A HN 0.140 nan 8.150 nan 0.000 0.402 191 I N 2.869 123.523 120.570 0.141 0.000 2.354 191 I HA 0.369 4.539 4.170 -0.001 0.000 0.286 191 I C 0.361 176.509 176.117 0.051 0.000 1.007 191 I CA -0.513 60.859 61.300 0.120 0.000 1.167 191 I CB 1.245 39.326 38.000 0.136 0.000 1.320 191 I HN 0.623 nan 8.210 nan 0.000 0.458 192 R N 3.281 123.792 120.500 0.019 0.000 2.608 192 R HA 0.348 4.687 4.340 -0.001 0.000 0.255 192 R C -0.715 175.537 176.300 -0.079 0.000 1.086 192 R CA -1.042 55.046 56.100 -0.021 0.000 1.125 192 R CB 0.756 31.051 30.300 -0.008 0.000 1.193 192 R HN 0.421 nan 8.270 nan 0.000 0.553 193 D N 1.291 121.588 120.400 -0.172 0.000 2.458 193 D HA 0.005 4.645 4.640 -0.001 0.000 0.243 193 D C -0.133 175.932 176.300 -0.391 0.000 1.146 193 D CA 0.784 54.503 54.000 -0.469 0.000 0.877 193 D CB 0.036 40.400 40.800 -0.727 0.000 1.176 193 D HN 0.382 nan 8.370 nan 0.000 0.461 194 Y N -0.244 120.102 120.300 0.077 0.000 3.477 194 Y HA -0.260 4.290 4.550 -0.001 0.000 0.216 194 Y C 1.476 177.387 175.900 0.018 0.000 1.296 194 Y CA 0.290 58.444 58.100 0.090 0.000 1.535 194 Y CB -2.716 35.765 38.460 0.034 0.000 1.482 194 Y HN 0.264 nan 8.280 nan 0.000 0.597 195 S N -1.114 114.587 115.700 0.002 0.000 2.555 195 S HA 0.116 4.586 4.470 -0.001 0.000 0.230 195 S C 0.125 174.351 174.600 -0.623 0.000 0.978 195 S CA 0.544 58.546 58.200 -0.331 0.000 0.934 195 S CB -0.176 62.707 63.200 -0.527 0.000 0.766 195 S HN 0.377 nan 8.310 nan 0.000 0.533 196 F N 1.696 121.725 119.950 0.133 0.000 2.577 196 F HA 0.460 4.986 4.527 -0.001 0.000 0.344 196 F C 0.024 175.871 175.800 0.078 0.000 1.145 196 F CA -0.925 57.129 58.000 0.089 0.000 0.996 196 F CB 1.251 40.289 39.000 0.065 0.000 1.248 196 F HN -0.345 nan 8.300 nan 0.000 0.447 197 K N 2.451 122.946 120.400 0.158 0.000 2.259 197 K HA 0.618 4.938 4.320 -0.001 0.000 0.252 197 K C 0.095 176.652 176.600 -0.072 0.000 0.936 197 K CA -1.132 55.195 56.287 0.066 0.000 0.810 197 K CB 2.269 34.804 32.500 0.059 0.000 1.143 197 K HN 0.547 nan 8.250 nan 0.000 0.427 198 R N 0.629 120.964 120.500 -0.274 0.000 3.863 198 R HA -0.192 4.148 4.340 -0.001 0.000 0.313 198 R C -0.235 175.588 176.300 -0.794 0.000 1.202 198 R CA 0.511 56.115 56.100 -0.827 0.000 0.852 198 R CB -1.930 28.221 30.300 -0.249 0.000 1.292 198 R HN 0.513 nan 8.270 nan 0.000 0.519 199 L N 1.101 122.077 121.223 -0.413 0.000 2.719 199 L HA 0.187 4.526 4.340 -0.001 0.000 0.236 199 L C 0.713 177.506 176.870 -0.129 0.000 1.285 199 L CA -0.412 54.314 54.840 -0.190 0.000 1.222 199 L CB -0.121 41.915 42.059 -0.037 0.000 1.493 199 L HN 0.146 nan 8.230 nan 0.000 0.415 200 Y N -0.828 119.516 120.300 0.073 0.000 2.352 200 Y HA -0.106 4.444 4.550 -0.001 0.000 0.292 200 Y C 2.250 178.149 175.900 -0.002 0.000 1.136 200 Y CA 0.722 58.838 58.100 0.026 0.000 1.227 200 Y CB -0.299 38.169 38.460 0.014 0.000 0.991 200 Y HN 0.257 nan 8.280 nan 0.000 0.545 201 R N -0.044 120.552 120.500 0.161 0.000 2.334 201 R HA 0.144 4.483 4.340 -0.001 0.000 0.216 201 R C -0.156 176.153 176.300 0.015 0.000 0.905 201 R CA -0.315 55.830 56.100 0.075 0.000 1.064 201 R CB 0.005 30.352 30.300 0.078 0.000 1.046 201 R HN 0.137 nan 8.270 nan 0.000 0.508 202 L N 1.700 122.921 121.223 -0.003 0.000 2.513 202 L HA -0.033 4.306 4.340 -0.001 0.000 0.272 202 L C 0.752 177.591 176.870 -0.051 0.000 1.187 202 L CA 0.857 55.672 54.840 -0.042 0.000 0.895 202 L CB 0.688 42.703 42.059 -0.073 0.000 1.147 202 L HN -0.182 nan 8.230 nan 0.000 0.483 203 K N 3.284 123.651 120.400 -0.055 0.000 2.387 203 K HA 0.329 4.649 4.320 -0.001 0.000 0.197 203 K C -0.593 175.973 176.600 -0.057 0.000 1.127 203 K CA 0.385 56.642 56.287 -0.051 0.000 0.950 203 K CB 0.488 32.960 32.500 -0.046 0.000 1.017 203 K HN 0.382 nan 8.250 nan 0.000 0.519 204 V N 2.607 122.479 119.914 -0.071 0.000 2.448 204 V HA 0.378 4.498 4.120 -0.001 0.000 0.295 204 V C -1.083 174.956 176.094 -0.092 0.000 1.025 204 V CA -1.045 61.209 62.300 -0.076 0.000 0.859 204 V CB 1.855 33.629 31.823 -0.083 0.000 0.988 204 V HN 0.002 nan 8.190 nan 0.000 0.431 205 L N 4.666 125.830 121.223 -0.098 0.000 2.349 205 L HA 0.636 4.975 4.340 -0.001 0.000 0.278 205 L C -0.393 176.428 176.870 -0.081 0.000 0.996 205 L CA -0.063 54.701 54.840 -0.126 0.000 0.825 205 L CB 1.673 43.593 42.059 -0.232 0.000 1.243 205 L HN 0.833 nan 8.230 nan 0.000 0.412 206 E N 5.754 125.924 120.200 -0.050 0.000 2.155 206 E HA 0.511 4.861 4.350 -0.001 0.000 0.264 206 E C -1.557 175.033 176.600 -0.018 0.000 0.886 206 E CA -0.506 55.881 56.400 -0.023 0.000 0.752 206 E CB 1.192 30.897 29.700 0.009 0.000 1.133 206 E HN 0.692 nan 8.360 nan 0.000 0.414 207 I N 4.057 124.561 120.570 -0.109 0.000 2.389 207 I HA 0.298 4.468 4.170 -0.001 0.000 0.288 207 I C -0.823 175.170 176.117 -0.207 0.000 0.999 207 I CA -0.452 60.700 61.300 -0.245 0.000 1.129 207 I CB 1.782 39.384 38.000 -0.664 0.000 1.288 207 I HN 0.516 nan 8.210 nan 0.000 0.444 208 S N 2.551 118.251 115.700 0.001 0.000 2.540 208 S HA 0.532 5.002 4.470 -0.001 0.000 0.275 208 S C -0.458 174.253 174.600 0.185 0.000 1.123 208 S CA -0.850 57.368 58.200 0.031 0.000 0.907 208 S CB 1.288 64.540 63.200 0.086 0.000 1.081 208 S HN 0.840 nan 8.310 nan 0.000 0.476 209 H N -1.015 118.089 119.070 0.057 0.000 2.819 209 H HA -0.110 4.446 4.556 -0.001 0.000 0.315 209 H C -1.657 173.775 175.328 0.174 0.000 1.242 209 H CA 1.188 57.193 56.048 -0.072 0.000 1.157 209 H CB -1.486 27.865 29.762 -0.684 0.000 1.451 209 H HN 0.605 nan 8.280 nan 0.000 0.430 210 W N 1.634 122.910 121.300 -0.040 0.000 2.289 210 W HA 0.330 4.989 4.660 -0.001 0.000 0.342 210 W C -1.891 174.583 176.519 -0.075 0.000 0.958 210 W CA -2.683 54.647 57.345 -0.026 0.000 1.492 210 W CB 0.179 29.656 29.460 0.029 0.000 1.336 210 W HN 0.108 nan 8.180 nan 0.000 0.371 211 P HA -0.116 nan 4.420 nan 0.000 0.242 211 P C 0.445 177.643 177.300 -0.171 0.000 1.197 211 P CA 1.124 64.135 63.100 -0.148 0.000 0.765 211 P CB 0.304 31.821 31.700 -0.305 0.000 0.936 212 Y N -1.107 119.286 120.300 0.155 0.000 2.449 212 Y HA 0.252 4.802 4.550 -0.001 0.000 0.254 212 Y C 1.157 177.142 175.900 0.142 0.000 1.140 212 Y CA -1.102 57.071 58.100 0.121 0.000 1.272 212 Y CB -0.458 38.057 38.460 0.091 0.000 1.114 212 Y HN -0.158 nan 8.280 nan 0.000 0.525 213 L N 3.166 124.572 121.223 0.306 0.000 2.433 213 L HA 0.162 4.502 4.340 -0.001 0.000 0.275 213 L C 0.409 177.362 176.870 0.138 0.000 1.128 213 L CA 0.403 55.398 54.840 0.258 0.000 0.875 213 L CB 0.120 42.343 42.059 0.274 0.000 1.171 213 L HN 0.291 nan 8.230 nan 0.000 0.463 214 D N 0.839 121.308 120.400 0.115 0.000 2.516 214 D HA 0.100 4.739 4.640 -0.001 0.000 0.241 214 D C -0.301 176.024 176.300 0.041 0.000 1.246 214 D CA -0.060 53.979 54.000 0.064 0.000 0.808 214 D CB 0.230 41.073 40.800 0.072 0.000 1.147 214 D HN 0.403 nan 8.370 nan 0.000 0.527 215 T N 1.227 115.813 114.554 0.053 0.000 2.881 215 T HA 0.529 4.879 4.350 -0.001 0.000 0.291 215 T C -0.518 174.201 174.700 0.031 0.000 0.990 215 T CA -0.461 61.661 62.100 0.036 0.000 0.976 215 T CB 1.560 70.455 68.868 0.046 0.000 0.970 215 T HN -0.011 nan 8.240 nan 0.000 0.438 216 M N 3.584 123.187 119.600 0.005 0.000 2.093 216 M HA 0.301 4.780 4.480 -0.001 0.000 0.297 216 M C 0.462 176.758 176.300 -0.006 0.000 0.938 216 M CA -0.879 54.422 55.300 0.001 0.000 0.920 216 M CB 1.802 34.387 32.600 -0.024 0.000 1.517 216 M HN 0.663 nan 8.290 nan 0.000 0.427 217 T N -0.186 114.364 114.554 -0.006 0.000 2.813 217 T HA 0.272 4.621 4.350 -0.001 0.000 0.297 217 T C -2.072 172.611 174.700 -0.028 0.000 1.036 217 T CA -1.273 60.813 62.100 -0.023 0.000 1.044 217 T CB 0.484 69.326 68.868 -0.043 0.000 0.993 217 T HN 0.306 nan 8.240 nan 0.000 0.535 218 P HA -0.058 nan 4.420 nan 0.000 0.215 218 P C 0.855 178.152 177.300 -0.005 0.000 1.157 218 P CA 0.979 64.069 63.100 -0.017 0.000 0.868 218 P CB -0.041 31.655 31.700 -0.007 0.000 0.788 219 N N -1.247 117.419 118.700 -0.056 0.000 2.322 219 N HA -0.012 4.728 4.740 -0.001 0.000 0.216 219 N C 1.036 176.498 175.510 -0.079 0.000 1.144 219 N CA 0.059 53.078 53.050 -0.053 0.000 0.830 219 N CB -1.132 37.196 38.487 -0.266 0.000 1.034 219 N HN 0.328 nan 8.380 nan 0.000 0.484 220 C N -1.544 117.746 119.300 -0.015 0.000 2.448 220 C HA 0.159 4.619 4.460 -0.001 0.000 0.280 220 C C 1.443 176.572 174.990 0.231 0.000 1.398 220 C CA -0.066 58.981 59.018 0.048 0.000 1.774 220 C CB -1.238 26.534 27.740 0.053 0.000 1.888 220 C HN 0.312 nan 8.230 nan 0.000 0.519 221 L N -1.105 120.249 121.223 0.218 0.000 2.910 221 L HA 0.294 4.633 4.340 -0.001 0.000 0.252 221 L C 0.453 177.485 176.870 0.270 0.000 1.195 221 L CA -0.642 54.343 54.840 0.243 0.000 1.003 221 L CB -0.703 41.412 42.059 0.094 0.000 1.328 221 L HN 0.292 nan 8.230 nan 0.000 0.540 222 Y N 1.459 121.888 120.300 0.216 0.000 2.811 222 Y HA 0.157 4.707 4.550 -0.001 0.000 0.334 222 Y C 1.543 177.583 175.900 0.234 0.000 1.247 222 Y CA 1.478 59.738 58.100 0.267 0.000 1.526 222 Y CB 0.700 39.394 38.460 0.390 0.000 1.284 222 Y HN 0.325 nan 8.280 nan 0.000 0.586 223 G N 4.153 112.739 108.800 -0.357 0.000 2.234 223 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.260 223 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.260 223 G C -0.096 174.779 174.900 -0.041 0.000 0.987 223 G CA 0.210 45.196 45.100 -0.190 0.000 0.625 223 G HN 0.677 nan 8.290 nan 0.000 0.532 224 L N 0.682 121.905 121.223 -0.000 0.000 2.349 224 L HA 0.455 4.794 4.340 -0.001 0.000 0.275 224 L C 0.446 177.309 176.870 -0.012 0.000 1.115 224 L CA -0.463 54.368 54.840 -0.015 0.000 0.820 224 L CB 1.283 43.306 42.059 -0.060 0.000 1.135 224 L HN 0.189 nan 8.230 nan 0.000 0.445 225 N N 3.723 122.416 118.700 -0.013 0.000 2.886 225 N HA 0.322 5.062 4.740 -0.001 0.000 0.285 225 N C -0.753 174.756 175.510 -0.001 0.000 1.706 225 N CA -0.283 52.771 53.050 0.007 0.000 0.904 225 N CB 0.226 38.701 38.487 -0.021 0.000 1.224 225 N HN 0.439 nan 8.380 nan 0.000 0.488 226 L N -0.022 121.202 121.223 0.002 0.000 2.453 226 L HA 0.312 4.652 4.340 -0.001 0.000 0.261 226 L C 1.603 178.492 176.870 0.032 0.000 1.179 226 L CA -0.141 54.693 54.840 -0.010 0.000 0.813 226 L CB 1.022 43.061 42.059 -0.034 0.000 1.110 226 L HN 0.460 nan 8.230 nan 0.000 0.466 227 T N -4.244 110.324 114.554 0.023 0.000 2.959 227 T HA 0.085 4.435 4.350 -0.001 0.000 0.254 227 T C 0.527 175.269 174.700 0.070 0.000 1.003 227 T CA -0.145 61.988 62.100 0.056 0.000 0.950 227 T CB 0.453 69.347 68.868 0.043 0.000 1.090 227 T HN 0.388 nan 8.240 nan 0.000 0.503 228 S N 0.595 116.321 115.700 0.043 0.000 2.526 228 S HA 0.766 5.235 4.470 -0.001 0.000 0.293 228 S C -1.871 172.768 174.600 0.066 0.000 1.092 228 S CA -0.755 57.501 58.200 0.093 0.000 0.980 228 S CB 1.533 64.721 63.200 -0.021 0.000 1.048 228 S HN 0.414 nan 8.310 nan 0.000 0.483 229 L N 3.795 125.098 121.223 0.134 0.000 2.476 229 L HA 0.693 5.032 4.340 -0.001 0.000 0.269 229 L C -1.297 175.619 176.870 0.077 0.000 0.965 229 L CA 0.114 54.978 54.840 0.040 0.000 0.845 229 L CB 1.845 43.897 42.059 -0.013 0.000 1.259 229 L HN 0.600 nan 8.230 nan 0.000 0.403 230 S N 6.421 122.140 115.700 0.032 0.000 2.659 230 S HA 0.711 5.181 4.470 -0.001 0.000 0.312 230 S C -0.567 173.994 174.600 -0.064 0.000 1.114 230 S CA -0.319 57.901 58.200 0.035 0.000 1.063 230 S CB 0.938 64.197 63.200 0.099 0.000 0.996 230 S HN 0.494 nan 8.310 nan 0.000 0.478 231 I N 3.705 124.214 120.570 -0.101 0.000 2.420 231 I HA 0.433 4.603 4.170 -0.001 0.000 0.282 231 I C 0.106 176.137 176.117 -0.142 0.000 1.019 231 I CA -0.334 60.863 61.300 -0.172 0.000 1.130 231 I CB 1.520 39.399 38.000 -0.202 0.000 1.262 231 I HN 0.604 nan 8.210 nan 0.000 0.454 232 T N -0.445 114.027 114.554 -0.136 0.000 2.883 232 T HA 0.426 4.776 4.350 -0.001 0.000 0.296 232 T C 0.005 174.624 174.700 -0.134 0.000 1.117 232 T CA -0.776 61.253 62.100 -0.119 0.000 1.006 232 T CB 1.197 70.038 68.868 -0.045 0.000 1.191 232 T HN 0.708 nan 8.240 nan 0.000 0.508 233 H N -1.599 117.388 119.070 -0.139 0.000 2.594 233 H HA -0.152 4.404 4.556 -0.001 0.000 0.316 233 H C 0.261 175.493 175.328 -0.159 0.000 1.107 233 H CA 0.694 56.595 56.048 -0.244 0.000 1.133 233 H CB -2.020 27.279 29.762 -0.772 0.000 1.459 233 H HN 0.764 nan 8.280 nan 0.000 0.411 234 C N -0.863 118.422 119.300 -0.025 0.000 2.924 234 C HA 0.360 4.819 4.460 -0.001 0.000 0.399 234 C C 1.585 176.584 174.990 0.015 0.000 1.795 234 C CA -0.681 58.340 59.018 0.005 0.000 1.685 234 C CB 1.448 29.159 27.740 -0.048 0.000 2.218 234 C HN 0.672 nan 8.230 nan 0.000 0.474 235 N N 0.507 119.228 118.700 0.034 0.000 2.458 235 N HA 0.342 5.082 4.740 -0.001 0.000 0.274 235 N C -0.832 174.689 175.510 0.018 0.000 1.242 235 N CA -0.015 53.058 53.050 0.039 0.000 0.904 235 N CB -0.303 38.230 38.487 0.076 0.000 1.206 235 N HN 0.473 nan 8.380 nan 0.000 0.510 236 L N 0.629 121.842 121.223 -0.016 0.000 2.410 236 L HA 0.157 4.496 4.340 -0.001 0.000 0.273 236 L C 1.555 178.401 176.870 -0.041 0.000 1.152 236 L CA 0.129 54.946 54.840 -0.040 0.000 0.855 236 L CB 0.964 42.975 42.059 -0.080 0.000 1.129 236 L HN 0.250 nan 8.230 nan 0.000 0.463 237 T N -1.304 113.228 114.554 -0.035 0.000 3.022 237 T HA 0.408 4.757 4.350 -0.001 0.000 0.250 237 T C 0.414 175.087 174.700 -0.044 0.000 1.060 237 T CA 0.210 62.293 62.100 -0.028 0.000 1.013 237 T CB 0.550 69.414 68.868 -0.007 0.000 0.982 237 T HN 0.596 nan 8.240 nan 0.000 0.508 238 A N 0.659 123.433 122.820 -0.077 0.000 2.532 238 A HA 0.749 5.069 4.320 -0.001 0.000 0.290 238 A C -0.660 176.779 177.584 -0.241 0.000 1.143 238 A CA -0.772 51.196 52.037 -0.116 0.000 0.728 238 A CB 1.367 20.323 19.000 -0.073 0.000 1.317 238 A HN 0.179 nan 8.150 nan 0.000 0.414 239 V N 2.219 121.863 119.914 -0.449 0.000 2.637 239 V HA 0.241 4.360 4.120 -0.001 0.000 0.296 239 V C -1.634 174.017 176.094 -0.738 0.000 1.046 239 V CA -0.599 61.289 62.300 -0.685 0.000 1.066 239 V CB 0.975 32.181 31.823 -1.029 0.000 0.968 239 V HN 0.750 nan 8.190 nan 0.000 0.483 240 P HA 0.079 nan 4.420 nan 0.000 0.225 240 P C 0.294 177.472 177.300 -0.204 0.000 1.768 240 P CA -0.070 62.878 63.100 -0.254 0.000 0.943 240 P CB -0.191 31.413 31.700 -0.160 0.000 1.936 241 Y N 0.372 120.644 120.300 -0.048 0.000 2.069 241 Y HA -0.247 4.303 4.550 -0.001 0.000 0.278 241 Y C 2.454 178.303 175.900 -0.084 0.000 1.175 241 Y CA 1.463 59.526 58.100 -0.062 0.000 1.134 241 Y CB -1.452 36.974 38.460 -0.057 0.000 0.965 241 Y HN 0.024 nan 8.280 nan 0.000 0.498 242 L N -0.903 120.371 121.223 0.085 0.000 2.141 242 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 242 L C 2.615 179.455 176.870 -0.051 0.000 1.094 242 L CA 0.899 55.738 54.840 -0.003 0.000 0.763 242 L CB -0.728 41.335 42.059 0.008 0.000 0.908 242 L HN 0.269 nan 8.230 nan 0.000 0.437 243 A N -0.173 122.625 122.820 -0.036 0.000 1.972 243 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 243 A C 2.046 179.606 177.584 -0.040 0.000 1.169 243 A CA 1.766 53.784 52.037 -0.033 0.000 0.635 243 A CB -0.568 18.413 19.000 -0.033 0.000 0.810 243 A HN 0.347 nan 8.150 nan 0.000 0.446 244 V N -1.726 118.155 119.914 -0.054 0.000 3.621 244 V HA 0.096 4.216 4.120 -0.001 0.000 0.285 244 V C 1.818 177.871 176.094 -0.068 0.000 1.346 244 V CA 0.703 62.975 62.300 -0.047 0.000 1.104 244 V CB -0.743 31.054 31.823 -0.043 0.000 0.913 244 V HN 0.669 nan 8.190 nan 0.000 0.432 245 R N 0.227 120.641 120.500 -0.144 0.000 2.241 245 R HA -0.131 4.209 4.340 -0.001 0.000 0.224 245 R C 1.410 177.603 176.300 -0.178 0.000 1.101 245 R CA 2.138 58.117 56.100 -0.202 0.000 0.995 245 R CB -0.852 29.283 30.300 -0.275 0.000 0.870 245 R HN 0.696 nan 8.270 nan 0.000 0.463 246 H N 0.167 119.240 119.070 0.006 0.000 2.551 246 H HA 0.260 4.815 4.556 -0.001 0.000 0.271 246 H C 0.367 175.701 175.328 0.010 0.000 0.984 246 H CA -0.427 55.624 56.048 0.004 0.000 1.164 246 H CB 0.490 30.249 29.762 -0.005 0.000 1.437 246 H HN 0.011 nan 8.280 nan 0.000 0.550 247 L N 1.905 123.184 121.223 0.094 0.000 2.650 247 L HA 0.015 4.354 4.340 -0.001 0.000 0.239 247 L C 0.873 177.783 176.870 0.066 0.000 1.412 247 L CA -0.180 54.706 54.840 0.076 0.000 1.219 247 L CB 0.013 42.094 42.059 0.036 0.000 1.534 247 L HN 0.258 nan 8.230 nan 0.000 0.430 248 V N -0.037 119.923 119.914 0.078 0.000 3.078 248 V HA -0.226 3.894 4.120 -0.001 0.000 0.265 248 V C 1.175 177.162 176.094 -0.178 0.000 1.122 248 V CA 1.618 63.894 62.300 -0.040 0.000 1.141 248 V CB -0.559 31.238 31.823 -0.044 0.000 0.735 248 V HN 0.613 nan 8.190 nan 0.000 0.498 249 Y N -1.768 118.538 120.300 0.011 0.000 2.531 249 Y HA 0.374 4.923 4.550 -0.001 0.000 0.249 249 Y C 0.630 176.534 175.900 0.006 0.000 1.168 249 Y CA -0.911 57.192 58.100 0.005 0.000 1.226 249 Y CB 0.522 38.980 38.460 -0.003 0.000 1.177 249 Y HN 0.121 nan 8.280 nan 0.000 0.527 250 L N 1.163 122.455 121.223 0.114 0.000 2.540 250 L HA -0.024 4.316 4.340 -0.001 0.000 0.276 250 L C 1.061 177.972 176.870 0.069 0.000 1.212 250 L CA 1.041 55.928 54.840 0.079 0.000 0.893 250 L CB 0.531 42.615 42.059 0.043 0.000 1.138 250 L HN 0.220 nan 8.230 nan 0.000 0.491 251 R N 3.281 123.837 120.500 0.094 0.000 2.287 251 R HA 0.222 4.561 4.340 -0.001 0.000 0.197 251 R C -0.610 175.774 176.300 0.140 0.000 0.900 251 R CA -0.099 56.059 56.100 0.097 0.000 1.052 251 R CB 0.558 30.916 30.300 0.097 0.000 1.117 251 R HN 0.541 nan 8.270 nan 0.000 0.568 252 F N 1.244 121.180 119.950 -0.022 0.000 2.539 252 F HA 0.466 4.992 4.527 -0.001 0.000 0.318 252 F C -1.652 174.122 175.800 -0.042 0.000 1.135 252 F CA -1.313 56.668 58.000 -0.032 0.000 0.915 252 F CB 1.549 40.532 39.000 -0.027 0.000 1.176 252 F HN -0.262 nan 8.300 nan 0.000 0.440 253 L N 6.992 127.967 121.223 -0.413 0.000 2.376 253 L HA 0.540 4.880 4.340 -0.001 0.000 0.275 253 L C -1.786 174.789 176.870 -0.492 0.000 0.987 253 L CA -0.291 54.378 54.840 -0.285 0.000 0.828 253 L CB 1.420 43.368 42.059 -0.185 0.000 1.249 253 L HN 0.666 nan 8.230 nan 0.000 0.409 254 N N 5.074 123.611 118.700 -0.270 0.000 2.443 254 N HA 0.447 5.187 4.740 -0.001 0.000 0.269 254 N C -0.656 174.780 175.510 -0.123 0.000 0.985 254 N CA -0.290 52.638 53.050 -0.204 0.000 0.921 254 N CB 1.395 39.919 38.487 0.063 0.000 1.195 254 N HN 0.779 nan 8.380 nan 0.000 0.492 255 L N 1.368 122.498 121.223 -0.154 0.000 3.168 255 L HA 0.312 4.651 4.340 -0.001 0.000 0.277 255 L C 0.363 177.129 176.870 -0.174 0.000 1.245 255 L CA -0.212 54.541 54.840 -0.146 0.000 1.035 255 L CB 0.327 42.299 42.059 -0.145 0.000 1.399 255 L HN 0.307 nan 8.230 nan 0.000 0.580 256 S N -0.175 115.407 115.700 -0.197 0.000 2.558 256 S HA 0.051 4.521 4.470 -0.001 0.000 0.287 256 S C -0.052 174.348 174.600 -0.334 0.000 1.321 256 S CA 0.114 58.096 58.200 -0.363 0.000 1.048 256 S CB -0.124 62.855 63.200 -0.368 0.000 0.844 256 S HN 0.375 nan 8.310 nan 0.000 0.512 257 Y N -0.504 119.633 120.300 -0.272 0.000 3.234 257 Y HA -0.227 4.322 4.550 -0.001 0.000 0.207 257 Y C 0.241 175.995 175.900 -0.243 0.000 1.316 257 Y CA 0.021 57.922 58.100 -0.332 0.000 1.309 257 Y CB -2.290 35.731 38.460 -0.732 0.000 1.408 257 Y HN 0.582 nan 8.280 nan 0.000 0.544 258 N N 1.344 119.983 118.700 -0.102 0.000 2.272 258 N HA 0.297 5.037 4.740 -0.001 0.000 0.305 258 N C -2.483 172.996 175.510 -0.052 0.000 1.103 258 N CA -1.776 51.234 53.050 -0.067 0.000 0.791 258 N CB 2.223 40.657 38.487 -0.088 0.000 1.356 258 N HN -0.157 nan 8.380 nan 0.000 0.486 259 P HA 0.133 nan 4.420 nan 0.000 0.262 259 P C -0.185 177.098 177.300 -0.028 0.000 1.647 259 P CA 0.266 63.356 63.100 -0.017 0.000 0.865 259 P CB -0.469 31.233 31.700 0.003 0.000 1.834 260 I N 0.929 121.470 120.570 -0.048 0.000 2.395 260 I HA 0.036 4.205 4.170 -0.001 0.000 0.289 260 I C 1.621 177.716 176.117 -0.036 0.000 1.023 260 I CA 0.100 61.370 61.300 -0.050 0.000 1.350 260 I CB 1.186 39.142 38.000 -0.074 0.000 1.409 260 I HN 0.031 nan 8.210 nan 0.000 0.507 261 S N 2.154 117.841 115.700 -0.021 0.000 2.540 261 S HA 0.160 4.629 4.470 -0.001 0.000 0.222 261 S C 0.487 175.083 174.600 -0.008 0.000 1.008 261 S CA -0.210 57.982 58.200 -0.014 0.000 0.939 261 S CB 0.505 63.701 63.200 -0.006 0.000 0.865 261 S HN 0.691 nan 8.310 nan 0.000 0.499 262 T N 1.051 115.606 114.554 0.000 0.000 2.932 262 T HA 0.633 4.982 4.350 -0.001 0.000 0.318 262 T C -1.951 172.772 174.700 0.039 0.000 1.265 262 T CA -0.725 61.381 62.100 0.010 0.000 1.036 262 T CB 1.257 70.136 68.868 0.018 0.000 1.209 262 T HN 0.276 nan 8.240 nan 0.000 0.484 263 I N 3.720 124.304 120.570 0.024 0.000 2.389 263 I HA 0.393 4.563 4.170 -0.001 0.000 0.288 263 I C 0.628 176.749 176.117 0.006 0.000 0.999 263 I CA -0.838 60.507 61.300 0.075 0.000 1.129 263 I CB 1.724 39.733 38.000 0.016 0.000 1.288 263 I HN 0.629 nan 8.210 nan 0.000 0.444 264 E N 3.542 123.774 120.200 0.054 0.000 2.391 264 E HA 0.311 4.661 4.350 -0.001 0.000 0.255 264 E C 0.346 176.837 176.600 -0.182 0.000 1.187 264 E CA -0.439 55.897 56.400 -0.107 0.000 0.941 264 E CB 0.896 30.461 29.700 -0.224 0.000 1.010 264 E HN 0.737 nan 8.360 nan 0.000 0.458 265 G N -0.389 108.317 108.800 -0.156 0.000 2.372 265 G HA2 0.264 4.224 3.960 -0.001 0.000 0.283 265 G HA3 0.264 4.224 3.960 -0.001 0.000 0.283 265 G C -0.124 174.723 174.900 -0.090 0.000 1.177 265 G CA -0.330 44.705 45.100 -0.110 0.000 0.842 265 G HN 0.471 nan 8.290 nan 0.000 0.503 266 S N 0.851 116.538 115.700 -0.022 0.000 3.672 266 S HA -0.150 4.320 4.470 -0.001 0.000 0.319 266 S C 1.155 175.780 174.600 0.042 0.000 1.151 266 S CA 0.994 59.235 58.200 0.068 0.000 0.911 266 S CB -1.079 62.181 63.200 0.100 0.000 0.939 266 S HN 0.647 nan 8.310 nan 0.000 0.524 267 M N -0.823 118.687 119.600 -0.150 0.000 2.313 267 M HA 0.368 4.848 4.480 -0.001 0.000 0.273 267 M C 0.886 177.087 176.300 -0.166 0.000 1.049 267 M CA 0.611 55.716 55.300 -0.324 0.000 1.004 267 M CB -0.333 31.658 32.600 -1.016 0.000 1.461 267 M HN 0.376 nan 8.290 nan 0.000 0.514 268 L N -0.142 121.053 121.223 -0.048 0.000 3.122 268 L HA 0.150 4.489 4.340 -0.001 0.000 0.274 268 L C 1.924 178.774 176.870 -0.033 0.000 1.222 268 L CA -0.046 54.803 54.840 0.014 0.000 1.028 268 L CB -0.233 41.919 42.059 0.154 0.000 1.386 268 L HN 0.355 nan 8.230 nan 0.000 0.578 269 H N -1.477 117.588 119.070 -0.009 0.000 2.559 269 H HA 0.070 4.626 4.556 -0.001 0.000 0.273 269 H C 0.970 176.271 175.328 -0.046 0.000 1.000 269 H CA 0.323 56.348 56.048 -0.038 0.000 1.195 269 H CB 0.473 30.204 29.762 -0.050 0.000 1.368 269 H HN 0.322 nan 8.280 nan 0.000 0.592 270 E N 1.301 121.409 120.200 -0.153 0.000 2.385 270 E HA 0.094 4.443 4.350 -0.001 0.000 0.194 270 E C 0.892 177.467 176.600 -0.042 0.000 1.013 270 E CA -0.021 56.344 56.400 -0.058 0.000 0.866 270 E CB 0.326 29.956 29.700 -0.116 0.000 0.832 270 E HN 0.538 nan 8.360 nan 0.000 0.500 271 L N 2.316 123.513 121.223 -0.043 0.000 2.437 271 L HA 0.134 4.474 4.340 -0.001 0.000 0.243 271 L C 1.436 178.288 176.870 -0.030 0.000 1.346 271 L CA -0.198 54.623 54.840 -0.033 0.000 1.233 271 L CB -0.315 41.731 42.059 -0.021 0.000 1.436 271 L HN -0.062 nan 8.230 nan 0.000 0.416 272 L N -0.064 121.133 121.223 -0.043 0.000 2.353 272 L HA -0.103 4.236 4.340 -0.001 0.000 0.220 272 L C 2.120 179.022 176.870 0.053 0.000 1.133 272 L CA 1.199 56.024 54.840 -0.025 0.000 0.798 272 L CB -0.366 41.669 42.059 -0.039 0.000 0.922 272 L HN 0.545 nan 8.230 nan 0.000 0.445 273 R N -0.829 119.680 120.500 0.016 0.000 2.437 273 R HA 0.171 4.511 4.340 -0.001 0.000 0.257 273 R C -0.021 176.313 176.300 0.057 0.000 0.927 273 R CA -0.575 55.551 56.100 0.044 0.000 1.078 273 R CB 0.459 30.733 30.300 -0.044 0.000 1.161 273 R HN 0.032 nan 8.270 nan 0.000 0.529 274 L N 2.009 123.253 121.223 0.034 0.000 2.559 274 L HA -0.081 4.259 4.340 -0.001 0.000 0.274 274 L C 0.805 177.686 176.870 0.018 0.000 1.205 274 L CA 1.232 56.075 54.840 0.006 0.000 0.907 274 L CB 0.681 42.714 42.059 -0.042 0.000 1.153 274 L HN 0.162 nan 8.230 nan 0.000 0.490 275 Q N 2.413 122.222 119.800 0.014 0.000 2.431 275 Q HA 0.264 4.604 4.340 -0.001 0.000 0.244 275 Q C -0.286 175.698 176.000 -0.025 0.000 0.880 275 Q CA 0.180 55.997 55.803 0.023 0.000 0.954 275 Q CB 0.898 29.668 28.738 0.052 0.000 1.105 275 Q HN 0.639 nan 8.270 nan 0.000 0.558 276 E N 0.799 120.956 120.200 -0.073 0.000 2.234 276 E HA 0.460 4.809 4.350 -0.001 0.000 0.266 276 E C -1.327 175.070 176.600 -0.338 0.000 0.877 276 E CA -0.421 55.876 56.400 -0.172 0.000 0.758 276 E CB 2.175 31.790 29.700 -0.142 0.000 1.170 276 E HN 0.049 nan 8.360 nan 0.000 0.415 277 I N 3.454 123.829 120.570 -0.324 0.000 2.411 277 I HA 0.137 4.306 4.170 -0.001 0.000 0.284 277 I C -0.377 175.562 176.117 -0.296 0.000 1.012 277 I CA -0.650 60.437 61.300 -0.355 0.000 1.119 277 I CB 1.416 39.211 38.000 -0.342 0.000 1.261 277 I HN 0.180 nan 8.210 nan 0.000 0.448 278 Q N 7.174 126.756 119.800 -0.363 0.000 2.257 278 Q HA 0.529 4.869 4.340 -0.001 0.000 0.255 278 Q C -0.717 175.162 176.000 -0.202 0.000 0.920 278 Q CA -0.439 55.223 55.803 -0.236 0.000 0.927 278 Q CB 2.976 31.591 28.738 -0.205 0.000 1.229 278 Q HN 0.610 nan 8.270 nan 0.000 0.433 279 L N 2.967 124.092 121.223 -0.163 0.000 2.489 279 L HA 0.337 4.677 4.340 -0.001 0.000 0.257 279 L C -1.372 175.366 176.870 -0.219 0.000 1.215 279 L CA -0.459 54.275 54.840 -0.176 0.000 0.915 279 L CB 1.242 43.236 42.059 -0.109 0.000 1.146 279 L HN 0.334 nan 8.230 nan 0.000 0.494 280 V N 1.803 121.507 119.914 -0.349 0.000 2.612 280 V HA 0.578 4.698 4.120 -0.001 0.000 0.301 280 V C 1.224 176.905 176.094 -0.688 0.000 1.046 280 V CA 0.398 62.437 62.300 -0.435 0.000 0.946 280 V CB 1.544 33.117 31.823 -0.416 0.000 1.003 280 V HN 0.804 nan 8.190 nan 0.000 0.459 281 G N 2.956 111.484 108.800 -0.454 0.000 2.203 281 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.263 281 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.263 281 G C 0.566 175.324 174.900 -0.237 0.000 1.012 281 G CA 0.542 45.432 45.100 -0.350 0.000 0.749 281 G HN 1.310 nan 8.290 nan 0.000 0.512 282 G N -1.387 107.285 108.800 -0.213 0.000 2.829 282 G HA2 0.526 4.486 3.960 -0.001 0.000 0.173 282 G HA3 0.526 4.486 3.960 -0.001 0.000 0.173 282 G C 0.507 175.366 174.900 -0.068 0.000 1.476 282 G CA 0.332 45.357 45.100 -0.126 0.000 1.072 282 G HN 0.477 nan 8.290 nan 0.000 0.577 283 Q N -0.510 119.259 119.800 -0.051 0.000 2.115 283 Q HA 0.301 4.641 4.340 -0.001 0.000 0.249 283 Q C -0.278 175.706 176.000 -0.027 0.000 0.830 283 Q CA -0.268 55.517 55.803 -0.030 0.000 1.104 283 Q CB 0.886 29.614 28.738 -0.016 0.000 1.207 283 Q HN 0.251 nan 8.270 nan 0.000 0.464 284 L N 1.101 122.302 121.223 -0.036 0.000 2.615 284 L HA -0.037 4.303 4.340 -0.001 0.000 0.271 284 L C 1.106 177.966 176.870 -0.018 0.000 1.183 284 L CA 0.045 54.870 54.840 -0.026 0.000 0.933 284 L CB 0.401 42.444 42.059 -0.027 0.000 1.199 284 L HN 0.337 nan 8.230 nan 0.000 0.487 285 A N 4.099 126.911 122.820 -0.012 0.000 2.063 285 A HA 0.308 4.628 4.320 -0.001 0.000 0.211 285 A C 0.458 178.038 177.584 -0.007 0.000 1.177 285 A CA 0.273 52.306 52.037 -0.007 0.000 0.759 285 A CB 0.695 19.692 19.000 -0.005 0.000 0.857 285 A HN 0.455 nan 8.150 nan 0.000 0.468 286 V N -0.236 119.669 119.914 -0.013 0.000 3.048 286 V HA 0.499 4.619 4.120 -0.001 0.000 0.303 286 V C -1.924 174.144 176.094 -0.042 0.000 1.214 286 V CA -0.600 61.687 62.300 -0.022 0.000 0.984 286 V CB 2.367 34.176 31.823 -0.024 0.000 1.054 286 V HN 0.019 nan 8.190 nan 0.000 0.430 287 V N 5.792 125.665 119.914 -0.068 0.000 2.378 287 V HA 0.507 4.626 4.120 -0.001 0.000 0.288 287 V C 0.098 176.085 176.094 -0.179 0.000 1.016 287 V CA -0.616 61.595 62.300 -0.148 0.000 0.840 287 V CB 1.470 33.184 31.823 -0.181 0.000 0.994 287 V HN 0.922 nan 8.190 nan 0.000 0.431 288 E N 6.364 126.450 120.200 -0.190 0.000 2.366 288 E HA 0.259 4.609 4.350 -0.001 0.000 0.266 288 E C -2.367 174.119 176.600 -0.189 0.000 1.051 288 E CA -1.753 54.554 56.400 -0.155 0.000 0.884 288 E CB 0.831 30.457 29.700 -0.123 0.000 1.006 288 E HN 0.418 nan 8.360 nan 0.000 0.417 289 P HA -0.168 nan 4.420 nan 0.000 0.263 289 P C -0.501 176.798 177.300 -0.002 0.000 1.175 289 P CA 0.633 63.672 63.100 -0.101 0.000 0.761 289 P CB 0.177 31.799 31.700 -0.130 0.000 0.794 290 Y N 0.083 120.253 120.300 -0.218 0.000 4.929 290 Y HA -0.300 4.250 4.550 -0.001 0.000 0.252 290 Y C 2.019 177.789 175.900 -0.216 0.000 0.950 290 Y CA 0.495 58.495 58.100 -0.167 0.000 1.935 290 Y CB -2.821 35.572 38.460 -0.111 0.000 1.440 290 Y HN 0.504 nan 8.280 nan 0.000 0.567 291 A N -0.101 122.556 122.820 -0.271 0.000 1.927 291 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 291 A C 1.420 178.789 177.584 -0.358 0.000 1.185 291 A CA 2.318 54.063 52.037 -0.486 0.000 0.639 291 A CB -0.746 17.683 19.000 -0.952 0.000 0.820 291 A HN 0.345 nan 8.150 nan 0.000 0.451 292 F N -1.089 118.801 119.950 -0.100 0.000 2.708 292 F HA 0.407 4.934 4.527 -0.001 0.000 0.300 292 F C 0.688 176.457 175.800 -0.052 0.000 1.118 292 F CA -1.259 56.699 58.000 -0.070 0.000 1.307 292 F CB -0.531 38.424 39.000 -0.074 0.000 0.986 292 F HN 0.009 nan 8.300 nan 0.000 0.522 293 R N 0.626 121.136 120.500 0.017 0.000 2.640 293 R HA 0.389 4.728 4.340 -0.001 0.000 0.270 293 R C 1.467 177.757 176.300 -0.016 0.000 1.024 293 R CA 1.314 57.378 56.100 -0.060 0.000 1.085 293 R CB -0.035 30.052 30.300 -0.356 0.000 0.963 293 R HN 0.531 nan 8.270 nan 0.000 0.426 294 G N 2.542 111.230 108.800 -0.186 0.000 2.320 294 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.242 294 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.242 294 G C -0.143 174.526 174.900 -0.385 0.000 1.033 294 G CA 0.237 45.135 45.100 -0.336 0.000 0.620 294 G HN 0.484 nan 8.290 nan 0.000 0.517 295 L N 2.239 123.331 121.223 -0.217 0.000 2.437 295 L HA 0.394 4.734 4.340 -0.001 0.000 0.243 295 L C 1.516 178.269 176.870 -0.195 0.000 1.346 295 L CA 0.222 54.984 54.840 -0.130 0.000 1.233 295 L CB 0.359 42.414 42.059 -0.006 0.000 1.436 295 L HN 0.285 nan 8.230 nan 0.000 0.416 296 N N 0.710 119.149 118.700 -0.435 0.000 2.258 296 N HA -0.250 4.490 4.740 -0.001 0.000 0.187 296 N C 0.939 176.119 175.510 -0.549 0.000 1.012 296 N CA 1.657 54.371 53.050 -0.561 0.000 0.870 296 N CB 0.042 37.987 38.487 -0.903 0.000 0.977 296 N HN 0.480 nan 8.380 nan 0.000 0.434 297 Y N -0.750 119.537 120.300 -0.022 0.000 2.584 297 Y HA 0.338 4.888 4.550 -0.001 0.000 0.254 297 Y C -0.050 175.842 175.900 -0.013 0.000 1.177 297 Y CA -1.001 57.092 58.100 -0.012 0.000 1.216 297 Y CB -0.089 38.358 38.460 -0.021 0.000 1.172 297 Y HN -0.072 nan 8.280 nan 0.000 0.529 298 L N 1.853 123.116 121.223 0.067 0.000 2.615 298 L HA 0.021 4.360 4.340 -0.001 0.000 0.271 298 L C 0.943 177.831 176.870 0.030 0.000 1.183 298 L CA 0.758 55.612 54.840 0.024 0.000 0.933 298 L CB 0.369 42.426 42.059 -0.003 0.000 1.199 298 L HN 0.245 nan 8.230 nan 0.000 0.487 299 R N 2.861 123.373 120.500 0.020 0.000 2.195 299 R HA 0.284 4.624 4.340 -0.001 0.000 0.197 299 R C -0.518 175.778 176.300 -0.006 0.000 0.990 299 R CA 0.171 56.279 56.100 0.014 0.000 1.048 299 R CB 0.558 30.875 30.300 0.028 0.000 0.997 299 R HN 0.462 nan 8.270 nan 0.000 0.502 300 V N 2.221 122.127 119.914 -0.015 0.000 2.482 300 V HA 0.306 4.425 4.120 -0.001 0.000 0.295 300 V C -1.357 174.718 176.094 -0.032 0.000 1.026 300 V CA -0.867 61.424 62.300 -0.014 0.000 0.856 300 V CB 1.906 33.724 31.823 -0.007 0.000 1.001 300 V HN 0.008 nan 8.190 nan 0.000 0.424 301 L N 4.874 126.111 121.223 0.023 0.000 2.349 301 L HA 0.707 5.046 4.340 -0.001 0.000 0.278 301 L C -0.637 176.259 176.870 0.043 0.000 0.996 301 L CA -0.021 54.845 54.840 0.042 0.000 0.825 301 L CB 1.694 43.888 42.059 0.225 0.000 1.243 301 L HN 0.634 nan 8.230 nan 0.000 0.412 302 N N 3.980 122.672 118.700 -0.012 0.000 2.569 302 N HA 0.357 5.096 4.740 -0.001 0.000 0.254 302 N C -0.401 175.085 175.510 -0.041 0.000 1.004 302 N CA -0.433 52.604 53.050 -0.021 0.000 0.904 302 N CB 1.451 39.916 38.487 -0.036 0.000 1.165 302 N HN 0.434 nan 8.380 nan 0.000 0.513 303 V N 1.171 121.072 119.914 -0.022 0.000 2.940 303 V HA 0.374 4.494 4.120 -0.001 0.000 0.366 303 V C 0.767 176.819 176.094 -0.069 0.000 1.353 303 V CA -0.798 61.476 62.300 -0.042 0.000 1.232 303 V CB -0.415 31.411 31.823 0.006 0.000 1.278 303 V HN 0.522 nan 8.190 nan 0.000 0.546 304 S N 1.966 117.619 115.700 -0.078 0.000 2.558 304 S HA 0.396 4.865 4.470 -0.001 0.000 0.293 304 S C 1.451 175.997 174.600 -0.091 0.000 1.292 304 S CA 1.331 59.481 58.200 -0.083 0.000 1.063 304 S CB -0.053 63.106 63.200 -0.068 0.000 0.831 304 S HN 2.381 nan 8.310 nan 0.000 0.499 305 G N 4.204 112.960 108.800 -0.074 0.000 2.198 305 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.257 305 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.257 305 G C 0.137 174.997 174.900 -0.066 0.000 1.042 305 G CA 0.242 45.306 45.100 -0.059 0.000 0.791 305 G HN 0.729 nan 8.290 nan 0.000 0.502 306 N N -0.530 118.131 118.700 -0.064 0.000 2.948 306 N HA 0.437 5.176 4.740 -0.001 0.000 0.323 306 N C 0.960 176.450 175.510 -0.034 0.000 1.374 306 N CA 0.109 53.127 53.050 -0.053 0.000 0.765 306 N CB 0.253 38.707 38.487 -0.056 0.000 1.152 306 N HN 0.528 nan 8.380 nan 0.000 0.528 307 Q N 0.722 120.507 119.800 -0.026 0.000 2.215 307 Q HA 0.378 4.717 4.340 -0.001 0.000 0.337 307 Q C -0.973 175.021 176.000 -0.010 0.000 0.887 307 Q CA -0.159 55.635 55.803 -0.016 0.000 1.134 307 Q CB -0.355 28.377 28.738 -0.010 0.000 1.303 307 Q HN 0.334 nan 8.270 nan 0.000 0.421 308 L N 1.246 122.462 121.223 -0.012 0.000 2.371 308 L HA 0.304 4.644 4.340 -0.001 0.000 0.272 308 L C 1.380 178.253 176.870 0.006 0.000 1.124 308 L CA -0.011 54.828 54.840 -0.001 0.000 0.816 308 L CB 1.192 43.253 42.059 0.003 0.000 1.129 308 L HN 0.387 nan 8.230 nan 0.000 0.448 309 T N -3.167 111.397 114.554 0.018 0.000 3.014 309 T HA 0.100 4.449 4.350 -0.001 0.000 0.250 309 T C 0.617 175.347 174.700 0.050 0.000 1.060 309 T CA 0.276 62.392 62.100 0.028 0.000 1.040 309 T CB 0.398 69.282 68.868 0.026 0.000 0.971 309 T HN 0.616 nan 8.240 nan 0.000 0.497 310 T N 0.160 114.750 114.554 0.061 0.000 2.769 310 T HA 0.612 4.962 4.350 -0.001 0.000 0.306 310 T C -2.527 172.247 174.700 0.124 0.000 1.400 310 T CA -0.727 61.434 62.100 0.102 0.000 1.007 310 T CB 1.751 70.684 68.868 0.108 0.000 1.392 310 T HN 0.183 nan 8.240 nan 0.000 0.500 311 L N 2.906 124.256 121.223 0.211 0.000 2.529 311 L HA 0.506 4.846 4.340 -0.001 0.000 0.260 311 L C -0.239 176.921 176.870 0.484 0.000 0.997 311 L CA -0.238 54.779 54.840 0.296 0.000 0.885 311 L CB 1.362 43.630 42.059 0.348 0.000 1.185 311 L HN 0.695 nan 8.230 nan 0.000 0.442 312 E N 2.513 122.875 120.200 0.270 0.000 2.398 312 E HA -0.022 4.328 4.350 -0.001 0.000 0.263 312 E C 0.259 176.894 176.600 0.057 0.000 1.046 312 E CA 0.017 56.537 56.400 0.199 0.000 0.908 312 E CB 1.261 30.992 29.700 0.052 0.000 0.963 312 E HN 0.616 nan 8.360 nan 0.000 0.431 313 E N 1.431 121.428 120.200 -0.338 0.000 2.150 313 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 313 E C 1.544 177.932 176.600 -0.353 0.000 0.985 313 E CA 1.105 56.936 56.400 -0.948 0.000 0.814 313 E CB 0.172 29.051 29.700 -1.367 0.000 0.752 313 E HN 0.492 nan 8.360 nan 0.000 0.466 314 S N 0.071 115.660 115.700 -0.185 0.000 2.555 314 S HA -0.094 4.375 4.470 -0.001 0.000 0.230 314 S C 2.071 176.670 174.600 -0.002 0.000 0.978 314 S CA 0.722 58.903 58.200 -0.032 0.000 0.934 314 S CB -0.213 62.997 63.200 0.017 0.000 0.766 314 S HN 0.306 nan 8.310 nan 0.000 0.533 315 V N -1.277 118.540 119.914 -0.162 0.000 2.469 315 V HA 0.100 4.220 4.120 -0.001 0.000 0.251 315 V C 0.673 176.525 176.094 -0.403 0.000 1.064 315 V CA 0.623 62.689 62.300 -0.390 0.000 1.066 315 V CB -1.237 30.195 31.823 -0.651 0.000 0.667 315 V HN 0.357 nan 8.190 nan 0.000 0.461 316 F N 0.228 120.191 119.950 0.023 0.000 2.379 316 F HA 0.503 5.030 4.527 -0.001 0.000 0.332 316 F C 1.418 177.218 175.800 0.000 0.000 1.096 316 F CA 0.090 58.151 58.000 0.102 0.000 1.105 316 F CB 0.873 39.919 39.000 0.077 0.000 1.189 316 F HN 0.018 nan 8.300 nan 0.000 0.515 317 H N -0.059 119.085 119.070 0.123 0.000 2.384 317 H HA 0.171 4.726 4.556 -0.001 0.000 0.300 317 H C 0.256 175.564 175.328 -0.033 0.000 1.057 317 H CA 1.159 57.178 56.048 -0.047 0.000 1.370 317 H CB 0.453 30.161 29.762 -0.090 0.000 1.417 317 H HN 0.412 nan 8.280 nan 0.000 0.527 318 S N 0.341 116.131 115.700 0.150 0.000 2.259 318 S HA 0.193 4.662 4.470 -0.001 0.000 0.181 318 S C 0.836 175.445 174.600 0.016 0.000 1.589 318 S CA -0.438 57.790 58.200 0.046 0.000 1.234 318 S CB 0.962 64.184 63.200 0.037 0.000 1.119 318 S HN 0.239 nan 8.310 nan 0.000 0.458 319 V N 2.288 122.188 119.914 -0.024 0.000 2.392 319 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 319 V C 2.592 178.661 176.094 -0.042 0.000 1.059 319 V CA 2.309 64.564 62.300 -0.074 0.000 1.051 319 V CB -1.097 30.672 31.823 -0.089 0.000 0.658 319 V HN 0.778 nan 8.190 nan 0.000 0.455 320 G N 0.192 108.977 108.800 -0.025 0.000 2.448 320 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.219 320 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.219 320 G C 1.354 176.248 174.900 -0.009 0.000 1.127 320 G CA 0.849 45.942 45.100 -0.013 0.000 0.766 320 G HN 0.541 nan 8.290 nan 0.000 0.552 321 N N -0.467 118.228 118.700 -0.008 0.000 2.373 321 N HA 0.091 4.831 4.740 -0.001 0.000 0.181 321 N C 0.508 176.013 175.510 -0.008 0.000 1.082 321 N CA -0.295 52.761 53.050 0.010 0.000 0.885 321 N CB 0.135 38.640 38.487 0.030 0.000 0.977 321 N HN 0.244 nan 8.380 nan 0.000 0.462 322 L N 1.514 122.706 121.223 -0.052 0.000 2.499 322 L HA 0.012 4.351 4.340 -0.001 0.000 0.273 322 L C 1.036 177.868 176.870 -0.065 0.000 1.195 322 L CA 0.899 55.682 54.840 -0.095 0.000 0.882 322 L CB 0.516 42.438 42.059 -0.228 0.000 1.133 322 L HN 0.093 nan 8.230 nan 0.000 0.483 323 E N 1.408 121.578 120.200 -0.051 0.000 2.414 323 E HA 0.181 4.531 4.350 -0.001 0.000 0.208 323 E C -0.473 176.098 176.600 -0.049 0.000 0.820 323 E CA 0.177 56.552 56.400 -0.043 0.000 1.143 323 E CB 0.868 30.557 29.700 -0.018 0.000 1.150 323 E HN 0.644 nan 8.360 nan 0.000 0.540 324 T N 1.372 115.909 114.554 -0.028 0.000 3.031 324 T HA 0.417 4.767 4.350 -0.001 0.000 0.305 324 T C -1.687 173.035 174.700 0.037 0.000 0.985 324 T CA -0.501 61.600 62.100 0.003 0.000 1.008 324 T CB 1.609 70.487 68.868 0.016 0.000 1.005 324 T HN -0.079 nan 8.240 nan 0.000 0.444 325 L N 5.545 126.829 121.223 0.102 0.000 2.404 325 L HA 0.670 5.009 4.340 -0.001 0.000 0.272 325 L C -1.584 175.372 176.870 0.143 0.000 0.980 325 L CA -0.738 54.181 54.840 0.133 0.000 0.836 325 L CB 0.978 43.119 42.059 0.137 0.000 1.238 325 L HN 0.491 nan 8.230 nan 0.000 0.408 326 I N 6.980 127.579 120.570 0.048 0.000 2.339 326 I HA 0.308 4.478 4.170 -0.001 0.000 0.290 326 I C 0.286 176.340 176.117 -0.106 0.000 0.994 326 I CA -0.150 61.125 61.300 -0.042 0.000 1.191 326 I CB 1.539 39.527 38.000 -0.019 0.000 1.343 326 I HN 0.706 nan 8.210 nan 0.000 0.458 327 L N 4.399 125.478 121.223 -0.241 0.000 3.184 327 L HA 0.127 4.467 4.340 -0.001 0.000 0.283 327 L C 0.444 177.165 176.870 -0.249 0.000 1.218 327 L CA -0.309 54.392 54.840 -0.231 0.000 1.028 327 L CB 0.242 42.116 42.059 -0.310 0.000 1.400 327 L HN 0.591 nan 8.230 nan 0.000 0.591 328 D N -0.529 119.727 120.400 -0.239 0.000 2.368 328 D HA -0.023 4.617 4.640 -0.001 0.000 0.240 328 D C 0.461 176.688 176.300 -0.123 0.000 1.169 328 D CA 0.227 54.109 54.000 -0.195 0.000 0.906 328 D CB 1.176 41.877 40.800 -0.165 0.000 1.187 328 D HN 0.017 nan 8.370 nan 0.000 0.435 329 S N 0.240 115.882 115.700 -0.096 0.000 3.783 329 S HA -0.165 4.304 4.470 -0.001 0.000 0.360 329 S C -0.655 173.909 174.600 -0.059 0.000 1.006 329 S CA 0.179 58.342 58.200 -0.062 0.000 1.115 329 S CB -1.984 61.190 63.200 -0.043 0.000 0.893 329 S HN 0.709 nan 8.310 nan 0.000 0.475 330 N N 0.971 119.630 118.700 -0.069 0.000 2.225 330 N HA 0.347 5.086 4.740 -0.001 0.000 0.298 330 N C -3.058 172.429 175.510 -0.038 0.000 1.076 330 N CA -1.578 51.441 53.050 -0.051 0.000 0.792 330 N CB 2.138 40.589 38.487 -0.059 0.000 1.498 330 N HN -0.029 nan 8.380 nan 0.000 0.474 331 P HA 0.129 nan 4.420 nan 0.000 0.235 331 P C -0.196 177.105 177.300 0.003 0.000 1.765 331 P CA 0.027 63.123 63.100 -0.007 0.000 1.034 331 P CB -0.249 31.451 31.700 -0.001 0.000 1.984 332 L N 1.231 122.455 121.223 0.002 0.000 2.410 332 L HA 0.262 4.601 4.340 -0.001 0.000 0.273 332 L C 1.095 177.988 176.870 0.039 0.000 1.152 332 L CA -0.555 54.301 54.840 0.027 0.000 0.855 332 L CB 0.423 42.502 42.059 0.033 0.000 1.129 332 L HN 0.171 nan 8.230 nan 0.000 0.463 333 A N 3.342 126.189 122.820 0.046 0.000 2.343 333 A HA 0.247 4.567 4.320 -0.001 0.000 0.305 333 A C 0.138 177.739 177.584 0.029 0.000 1.308 333 A CA -0.465 51.592 52.037 0.033 0.000 0.949 333 A CB -0.088 18.936 19.000 0.040 0.000 1.148 333 A HN 0.873 nan 8.150 nan 0.000 0.545 334 c N 4.009 122.572 118.600 -0.061 0.000 2.861 334 c HA 0.279 4.849 4.570 -0.001 0.000 0.542 334 c C 0.722 174.642 174.090 -0.284 0.000 1.074 334 c CA -0.580 55.593 56.329 -0.260 0.000 1.232 334 c CB -2.482 39.649 42.510 -0.631 0.000 1.433 334 c HN 0.925 nan 8.230 nan 0.000 0.606 335 D N -0.355 120.036 120.400 -0.015 0.000 2.567 335 D HA 0.196 4.836 4.640 -0.001 0.000 0.275 335 D C 1.407 177.820 176.300 0.187 0.000 1.195 335 D CA -0.618 53.414 54.000 0.053 0.000 1.087 335 D CB -0.115 40.719 40.800 0.057 0.000 1.165 335 D HN 0.324 nan 8.370 nan 0.000 0.609 336 c N -1.678 117.012 118.600 0.150 0.000 2.437 336 c HA 0.159 4.729 4.570 -0.001 0.000 0.283 336 c C 2.182 176.379 174.090 0.177 0.000 1.424 336 c CA -0.112 56.310 56.329 0.155 0.000 1.782 336 c CB -1.309 41.264 42.510 0.105 0.000 1.833 336 c HN 0.456 nan 8.230 nan 0.000 0.532 337 R N -0.223 120.389 120.500 0.187 0.000 2.189 337 R HA 0.047 4.386 4.340 -0.001 0.000 0.223 337 R C 1.477 177.983 176.300 0.344 0.000 1.092 337 R CA 0.877 57.121 56.100 0.240 0.000 0.989 337 R CB -0.194 30.219 30.300 0.188 0.000 0.876 337 R HN 0.408 nan 8.270 nan 0.000 0.457 338 L N -0.156 121.219 121.223 0.253 0.000 2.640 338 L HA 0.065 4.404 4.340 -0.001 0.000 0.230 338 L C 1.420 178.219 176.870 -0.118 0.000 1.123 338 L CA 0.500 55.420 54.840 0.134 0.000 0.900 338 L CB 0.054 42.306 42.059 0.321 0.000 1.146 338 L HN 0.094 nan 8.230 nan 0.000 0.484 339 L N 0.083 121.269 121.223 -0.062 0.000 2.127 339 L HA -0.191 4.148 4.340 -0.001 0.000 0.211 339 L C 2.348 179.162 176.870 -0.094 0.000 1.089 339 L CA 1.861 56.548 54.840 -0.255 0.000 0.757 339 L CB -0.774 41.240 42.059 -0.075 0.000 0.899 339 L HN 0.583 nan 8.230 nan 0.000 0.434 340 W N -1.664 119.628 121.300 -0.013 0.000 2.388 340 W HA -0.090 4.569 4.660 -0.001 0.000 0.294 340 W C 1.725 178.264 176.519 0.033 0.000 1.212 340 W CA 1.207 58.561 57.345 0.015 0.000 1.271 340 W CB -1.394 28.093 29.460 0.044 0.000 1.126 340 W HN -0.002 nan 8.180 nan 0.000 0.535 341 V N 1.621 120.983 119.914 -0.920 0.000 2.270 341 V HA -0.307 3.813 4.120 -0.001 0.000 0.245 341 V C 2.375 178.358 176.094 -0.185 0.000 1.043 341 V CA 2.385 64.259 62.300 -0.709 0.000 1.014 341 V CB -1.379 30.082 31.823 -0.603 0.000 0.645 341 V HN 0.113 nan 8.190 nan 0.000 0.447 342 F N 1.412 121.129 119.950 -0.389 0.000 2.091 342 F HA -0.209 4.317 4.527 -0.001 0.000 0.299 342 F C 2.532 178.117 175.800 -0.358 0.000 1.103 342 F CA 1.690 59.358 58.000 -0.555 0.000 1.228 342 F CB -0.219 37.977 39.000 -1.340 0.000 0.984 342 F HN -0.023 nan 8.300 nan 0.000 0.477 343 R N 0.719 121.110 120.500 -0.181 0.000 2.303 343 R HA -0.069 4.270 4.340 -0.001 0.000 0.225 343 R C 0.871 177.076 176.300 -0.159 0.000 1.114 343 R CA 0.847 56.868 56.100 -0.132 0.000 1.007 343 R CB -0.784 29.519 30.300 0.006 0.000 0.861 343 R HN 0.414 nan 8.270 nan 0.000 0.471 344 R N 0.583 120.960 120.500 -0.206 0.000 2.767 344 R HA 0.155 4.494 4.340 -0.001 0.000 0.377 344 R C 0.888 176.977 176.300 -0.350 0.000 1.151 344 R CA -0.103 55.886 56.100 -0.186 0.000 1.046 344 R CB 0.507 30.742 30.300 -0.108 0.000 1.404 344 R HN 0.157 nan 8.270 nan 0.000 0.580 345 R N -0.903 119.292 120.500 -0.509 0.000 2.317 345 R HA 0.075 4.414 4.340 -0.001 0.000 0.208 345 R C -0.182 175.463 176.300 -1.091 0.000 0.914 345 R CA 0.153 55.787 56.100 -0.776 0.000 1.060 345 R CB 0.139 29.848 30.300 -0.985 0.000 1.015 345 R HN 0.230 nan 8.270 nan 0.000 0.498 346 W N 0.355 121.453 121.300 -0.337 0.000 2.407 346 W HA 0.461 5.121 4.660 -0.001 0.000 0.370 346 W C 0.395 176.749 176.519 -0.276 0.000 0.928 346 W CA -0.733 56.448 57.345 -0.274 0.000 2.005 346 W CB 0.734 30.092 29.460 -0.170 0.000 1.171 346 W HN -0.089 nan 8.180 nan 0.000 0.572 347 R N 0.519 120.881 120.500 -0.231 0.000 2.544 347 R HA 0.288 4.628 4.340 -0.001 0.000 0.426 347 R C 0.253 176.393 176.300 -0.267 0.000 0.943 347 R CA -0.050 55.945 56.100 -0.174 0.000 1.162 347 R CB 0.165 30.409 30.300 -0.094 0.000 1.588 347 R HN 0.149 nan 8.270 nan 0.000 0.563 348 L N 0.554 121.470 121.223 -0.511 0.000 3.209 348 L HA 0.293 4.632 4.340 -0.001 0.000 0.279 348 L C -0.414 176.223 176.870 -0.388 0.000 1.301 348 L CA -0.295 54.271 54.840 -0.455 0.000 1.004 348 L CB 0.175 41.933 42.059 -0.501 0.000 1.402 348 L HN 0.175 nan 8.230 nan 0.000 0.577 349 N N -0.097 118.439 118.700 -0.273 0.000 2.701 349 N HA -0.266 4.474 4.740 -0.001 0.000 0.252 349 N C 0.827 176.362 175.510 0.042 0.000 1.002 349 N CA 0.357 53.353 53.050 -0.090 0.000 0.758 349 N CB -0.570 37.902 38.487 -0.026 0.000 0.937 349 N HN 0.260 nan 8.380 nan 0.000 0.538 350 F N 0.147 120.056 119.950 -0.068 0.000 2.069 350 F HA -0.209 4.317 4.527 -0.001 0.000 0.298 350 F C 2.118 177.889 175.800 -0.048 0.000 1.113 350 F CA 1.339 59.286 58.000 -0.088 0.000 1.214 350 F CB -0.793 38.124 39.000 -0.139 0.000 0.978 350 F HN 0.227 nan 8.300 nan 0.000 0.474 351 N N -0.580 118.224 118.700 0.172 0.000 1.504 351 N HA -0.367 4.373 4.740 -0.001 0.000 0.155 351 N C 1.601 177.172 175.510 0.102 0.000 0.736 351 N CA 1.996 55.113 53.050 0.111 0.000 1.095 351 N CB -1.159 37.374 38.487 0.076 0.000 1.315 351 N HN 0.243 nan 8.380 nan 0.000 0.467 352 R N 1.274 121.815 120.500 0.068 0.000 2.210 352 R HA 0.070 4.409 4.340 -0.001 0.000 0.203 352 R C -0.031 176.279 176.300 0.018 0.000 1.010 352 R CA 0.837 56.963 56.100 0.044 0.000 1.008 352 R CB 0.050 30.371 30.300 0.034 0.000 0.923 352 R HN 0.338 nan 8.270 nan 0.000 0.469 353 Q N 1.781 121.588 119.800 0.013 0.000 3.027 353 Q HA 0.121 4.460 4.340 -0.001 0.000 0.260 353 Q C -1.040 174.877 176.000 -0.138 0.000 1.379 353 Q CA 0.259 56.034 55.803 -0.046 0.000 1.038 353 Q CB 0.874 29.593 28.738 -0.032 0.000 1.578 353 Q HN 0.108 nan 8.270 nan 0.000 0.571 354 Q N 1.747 121.456 119.800 -0.151 0.000 2.288 354 Q HA 0.293 4.632 4.340 -0.001 0.000 0.254 354 Q C -2.161 173.575 176.000 -0.440 0.000 0.932 354 Q CA -1.981 53.652 55.803 -0.283 0.000 0.902 354 Q CB 0.725 29.400 28.738 -0.104 0.000 1.203 354 Q HN 0.267 nan 8.270 nan 0.000 0.415 355 P HA 0.028 nan 4.420 nan 0.000 0.268 355 P C -0.614 176.424 177.300 -0.437 0.000 1.204 355 P CA 0.145 62.750 63.100 -0.826 0.000 0.768 355 P CB 0.542 31.240 31.700 -1.670 0.000 0.842 356 T N -0.058 114.372 114.554 -0.206 0.000 2.893 356 T HA 0.483 4.832 4.350 -0.001 0.000 0.291 356 T C -0.430 174.297 174.700 0.045 0.000 1.028 356 T CA -0.676 61.423 62.100 -0.001 0.000 0.995 356 T CB 0.302 69.158 68.868 -0.020 0.000 1.051 356 T HN 0.322 nan 8.240 nan 0.000 0.470 357 c N 1.997 120.672 118.600 0.125 0.000 2.527 357 c HA 0.738 5.307 4.570 -0.001 0.000 0.396 357 c C 1.950 176.052 174.090 0.020 0.000 1.289 357 c CA -0.065 56.310 56.329 0.077 0.000 2.047 357 c CB -0.146 42.401 42.510 0.061 0.000 2.568 357 c HN 1.147 nan 8.230 nan 0.000 0.573 358 A N 2.383 125.210 122.820 0.011 0.000 1.942 358 A HA 0.284 4.604 4.320 -0.001 0.000 0.209 358 A C 1.102 178.691 177.584 0.008 0.000 1.214 358 A CA 1.145 53.185 52.037 0.005 0.000 0.686 358 A CB -0.349 18.654 19.000 0.006 0.000 0.871 358 A HN 0.881 nan 8.150 nan 0.000 0.460 359 T N -2.787 111.774 114.554 0.011 0.000 2.926 359 T HA 0.636 4.986 4.350 -0.001 0.000 0.289 359 T C -3.230 171.471 174.700 0.002 0.000 1.054 359 T CA -2.367 59.746 62.100 0.022 0.000 1.015 359 T CB 2.036 70.923 68.868 0.031 0.000 1.167 359 T HN 0.018 nan 8.240 nan 0.000 0.526 360 P HA 0.151 nan 4.420 nan 0.000 0.270 360 P C 0.863 178.256 177.300 0.154 0.000 1.223 360 P CA -0.007 63.166 63.100 0.123 0.000 0.785 360 P CB 0.589 32.431 31.700 0.237 0.000 0.923 361 E N 2.079 122.378 120.200 0.164 0.000 2.446 361 E HA -0.288 4.061 4.350 -0.001 0.000 0.248 361 E C 1.284 178.007 176.600 0.204 0.000 1.081 361 E CA 2.717 59.215 56.400 0.163 0.000 1.143 361 E CB -1.218 28.570 29.700 0.147 0.000 1.012 361 E HN 0.606 nan 8.360 nan 0.000 0.487 362 F N -0.515 119.442 119.950 0.011 0.000 2.789 362 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 362 F C 1.379 177.199 175.800 0.033 0.000 1.132 362 F CA 0.477 58.487 58.000 0.018 0.000 1.404 362 F CB -0.346 38.662 39.000 0.013 0.000 1.114 362 F HN 0.027 nan 8.300 nan 0.000 0.584 363 V N -0.883 118.742 119.914 -0.482 0.000 3.121 363 V HA 0.224 4.343 4.120 -0.001 0.000 0.344 363 V C 0.571 176.553 176.094 -0.186 0.000 1.390 363 V CA -0.330 61.708 62.300 -0.437 0.000 1.177 363 V CB -1.338 30.204 31.823 -0.468 0.000 1.163 363 V HN 0.396 nan 8.190 nan 0.000 0.484 364 Q N 2.031 121.773 119.800 -0.097 0.000 2.247 364 Q HA 0.393 4.733 4.340 -0.001 0.000 0.288 364 Q C 1.280 177.250 176.000 -0.050 0.000 1.079 364 Q CA 1.441 57.218 55.803 -0.043 0.000 0.932 364 Q CB 0.034 28.768 28.738 -0.007 0.000 1.133 364 Q HN 1.105 nan 8.270 nan 0.000 0.377 365 G N 3.260 112.040 108.800 -0.035 0.000 2.179 365 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 365 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 365 G C -0.011 174.861 174.900 -0.047 0.000 0.977 365 G CA 0.288 45.368 45.100 -0.033 0.000 0.641 365 G HN 0.635 nan 8.290 nan 0.000 0.533 366 K N 1.067 121.421 120.400 -0.076 0.000 2.276 366 K HA 0.407 4.726 4.320 -0.001 0.000 0.283 366 K C 0.417 177.036 176.600 0.031 0.000 1.044 366 K CA -0.285 55.921 56.287 -0.136 0.000 0.944 366 K CB 0.367 32.630 32.500 -0.394 0.000 1.012 366 K HN 0.444 nan 8.250 nan 0.000 0.472 367 E N 2.625 122.849 120.200 0.039 0.000 2.319 367 E HA 0.069 4.418 4.350 -0.001 0.000 0.268 367 E C 0.395 177.247 176.600 0.421 0.000 1.050 367 E CA -0.557 55.947 56.400 0.173 0.000 0.878 367 E CB 0.483 30.225 29.700 0.070 0.000 1.066 367 E HN 0.483 nan 8.360 nan 0.000 0.406 368 F N 1.745 121.823 119.950 0.213 0.000 2.202 368 F HA -0.175 4.351 4.527 -0.001 0.000 0.301 368 F C 2.154 178.125 175.800 0.286 0.000 1.082 368 F CA 1.396 59.632 58.000 0.393 0.000 1.313 368 F CB -0.453 38.635 39.000 0.147 0.000 1.024 368 F HN 0.475 nan 8.300 nan 0.000 0.495 369 K N -0.627 119.914 120.400 0.235 0.000 2.362 369 K HA -0.106 4.214 4.320 -0.001 0.000 0.200 369 K C 1.012 177.742 176.600 0.216 0.000 1.046 369 K CA 1.576 57.916 56.287 0.089 0.000 0.952 369 K CB -0.315 32.239 32.500 0.090 0.000 0.753 369 K HN 0.129 nan 8.250 nan 0.000 0.466 370 D N 0.406 120.897 120.400 0.153 0.000 2.323 370 D HA 0.030 4.669 4.640 -0.001 0.000 0.209 370 D C -0.119 176.130 176.300 -0.085 0.000 0.973 370 D CA 0.410 54.404 54.000 -0.010 0.000 0.874 370 D CB 0.021 40.719 40.800 -0.169 0.000 0.930 370 D HN 0.112 nan 8.370 nan 0.000 0.521 371 F N 1.431 121.430 119.950 0.081 0.000 2.418 371 F HA 0.233 4.760 4.527 -0.001 0.000 0.341 371 F C -1.546 174.358 175.800 0.173 0.000 1.120 371 F CA -1.983 56.022 58.000 0.009 0.000 1.232 371 F CB 0.193 39.200 39.000 0.011 0.000 1.175 371 F HN -0.240 nan 8.300 nan 0.000 0.569 372 P HA 0.066 nan 4.420 nan 0.000 0.272 372 P C 0.090 177.612 177.300 0.370 0.000 1.240 372 P CA -0.182 63.091 63.100 0.289 0.000 0.791 372 P CB 0.743 32.588 31.700 0.242 0.000 0.978 373 D N -0.398 120.173 120.400 0.284 0.000 2.084 373 D HA -0.064 4.576 4.640 -0.001 0.000 0.194 373 D C 0.365 176.813 176.300 0.246 0.000 0.990 373 D CA 1.371 55.528 54.000 0.261 0.000 0.826 373 D CB -0.239 40.660 40.800 0.164 0.000 0.971 373 D HN 0.070 nan 8.370 nan 0.000 0.453 374 V N 2.854 122.886 119.914 0.198 0.000 2.389 374 V HA 0.092 4.211 4.120 -0.001 0.000 0.264 374 V C 0.606 176.827 176.094 0.212 0.000 1.049 374 V CA -0.316 62.088 62.300 0.173 0.000 0.932 374 V CB 0.762 32.662 31.823 0.128 0.000 1.011 374 V HN 0.042 nan 8.190 nan 0.000 0.475 375 L N 6.277 127.625 121.223 0.209 0.000 2.455 375 L HA 0.297 4.637 4.340 -0.001 0.000 0.272 375 L C 0.139 177.156 176.870 0.245 0.000 1.174 375 L CA 0.126 55.121 54.840 0.257 0.000 0.869 375 L CB 0.514 42.669 42.059 0.160 0.000 1.130 375 L HN 0.472 nan 8.230 nan 0.000 0.474 376 L N 4.050 125.482 121.223 0.348 0.000 2.448 376 L HA 0.474 4.814 4.340 -0.001 0.000 0.258 376 L C -2.039 174.801 176.870 -0.050 0.000 1.104 376 L CA -2.167 52.736 54.840 0.104 0.000 0.800 376 L CB 0.273 42.363 42.059 0.053 0.000 1.241 376 L HN 0.362 nan 8.230 nan 0.000 0.472 377 P HA -0.013 nan 4.420 nan 0.000 0.265 377 P C -0.269 176.927 177.300 -0.173 0.000 1.187 377 P CA 0.319 63.353 63.100 -0.110 0.000 0.766 377 P CB 0.173 31.805 31.700 -0.112 0.000 0.820 378 N N -1.184 117.479 118.700 -0.062 0.000 2.778 378 N HA -0.210 4.530 4.740 -0.001 0.000 0.249 378 N C -0.726 174.901 175.510 0.195 0.000 1.069 378 N CA 1.108 54.169 53.050 0.020 0.000 0.831 378 N CB -1.561 36.868 38.487 -0.097 0.000 1.142 378 N HN 0.424 nan 8.380 nan 0.000 0.573 379 Y N 0.483 120.861 120.300 0.129 0.000 2.350 379 Y HA 0.324 4.874 4.550 -0.001 0.000 0.340 379 Y C 0.931 176.783 175.900 -0.081 0.000 1.006 379 Y CA -1.177 56.902 58.100 -0.035 0.000 1.166 379 Y CB -0.054 38.419 38.460 0.021 0.000 1.168 379 Y HN 0.034 nan 8.280 nan 0.000 0.502 380 F N 0.335 120.227 119.950 -0.096 0.000 3.004 380 F HA -0.255 4.271 4.527 -0.001 0.000 0.264 380 F C 0.494 176.251 175.800 -0.071 0.000 0.979 380 F CA 1.001 58.888 58.000 -0.189 0.000 0.896 380 F CB -1.948 36.809 39.000 -0.406 0.000 0.813 380 F HN 0.385 nan 8.300 nan 0.000 0.804 381 T N -2.917 111.689 114.554 0.087 0.000 2.885 381 T HA 0.793 5.142 4.350 -0.001 0.000 0.285 381 T C -0.021 174.711 174.700 0.054 0.000 1.019 381 T CA -0.877 61.265 62.100 0.070 0.000 1.010 381 T CB 2.045 70.942 68.868 0.050 0.000 1.022 381 T HN 0.182 nan 8.240 nan 0.000 0.466 382 c N 1.444 120.073 118.600 0.049 0.000 2.399 382 c HA 0.708 5.278 4.570 -0.001 0.000 0.348 382 c C 0.593 174.696 174.090 0.022 0.000 1.183 382 c CA -1.039 55.312 56.329 0.037 0.000 2.023 382 c CB 0.883 43.418 42.510 0.041 0.000 2.361 382 c HN 1.074 nan 8.230 nan 0.000 0.521 383 R N 1.541 122.050 120.500 0.015 0.000 2.220 383 R HA 0.293 4.633 4.340 -0.001 0.000 0.340 383 R C 0.391 176.694 176.300 0.004 0.000 1.076 383 R CA -0.256 55.848 56.100 0.005 0.000 0.920 383 R CB 0.204 30.504 30.300 0.001 0.000 1.062 383 R HN 0.790 nan 8.270 nan 0.000 0.469 384 R N 3.130 123.631 120.500 0.002 0.000 2.678 384 R HA -0.044 4.295 4.340 -0.001 0.000 0.264 384 R C -0.676 175.619 176.300 -0.008 0.000 0.995 384 R CA 0.640 56.739 56.100 -0.002 0.000 1.098 384 R CB 0.463 30.761 30.300 -0.004 0.000 0.949 384 R HN 0.718 nan 8.270 nan 0.000 0.422 385 A N 5.085 127.897 122.820 -0.013 0.000 2.454 385 A HA 0.229 4.549 4.320 -0.001 0.000 0.260 385 A C -0.340 177.229 177.584 -0.025 0.000 1.106 385 A CA -0.003 52.022 52.037 -0.020 0.000 0.780 385 A CB 0.248 19.231 19.000 -0.029 0.000 1.044 385 A HN 0.799 nan 8.150 nan 0.000 0.498 386 R N 2.133 122.620 120.500 -0.022 0.000 2.561 386 R HA 0.454 4.794 4.340 -0.001 0.000 0.297 386 R C -1.142 175.144 176.300 -0.023 0.000 0.969 386 R CA -0.534 55.553 56.100 -0.022 0.000 0.879 386 R CB 1.939 32.231 30.300 -0.014 0.000 1.178 386 R HN 0.733 nan 8.270 nan 0.000 0.445 387 I N 4.103 124.656 120.570 -0.029 0.000 2.379 387 I HA 0.104 4.273 4.170 -0.001 0.000 0.290 387 I C 1.543 177.656 176.117 -0.007 0.000 1.063 387 I CA -0.032 61.252 61.300 -0.025 0.000 1.351 387 I CB 0.913 38.886 38.000 -0.044 0.000 1.410 387 I HN 0.525 nan 8.210 nan 0.000 0.505 388 R N 3.074 123.575 120.500 0.002 0.000 2.126 388 R HA -0.146 4.194 4.340 -0.001 0.000 0.224 388 R C 0.418 176.726 176.300 0.014 0.000 1.128 388 R CA 1.249 57.354 56.100 0.008 0.000 0.895 388 R CB -0.241 30.066 30.300 0.013 0.000 0.817 388 R HN 0.605 nan 8.270 nan 0.000 0.435 389 D N 0.493 120.907 120.400 0.023 0.000 2.339 389 D HA -0.002 4.638 4.640 -0.001 0.000 0.256 389 D C 0.618 176.938 176.300 0.033 0.000 1.214 389 D CA 0.057 54.074 54.000 0.029 0.000 0.877 389 D CB 0.808 41.630 40.800 0.037 0.000 1.111 389 D HN -0.041 nan 8.370 nan 0.000 0.478 390 R N 2.964 123.481 120.500 0.029 0.000 2.200 390 R HA 0.049 4.389 4.340 -0.001 0.000 0.208 390 R C 0.481 176.808 176.300 0.045 0.000 1.033 390 R CA 0.082 56.200 56.100 0.030 0.000 1.000 390 R CB -0.513 29.800 30.300 0.021 0.000 0.906 390 R HN 0.456 nan 8.270 nan 0.000 0.462 391 K N 1.470 121.899 120.400 0.049 0.000 2.524 391 K HA 0.048 4.368 4.320 -0.001 0.000 0.279 391 K C -0.382 176.270 176.600 0.087 0.000 0.993 391 K CA 0.058 56.381 56.287 0.061 0.000 1.030 391 K CB 0.479 33.012 32.500 0.054 0.000 0.891 391 K HN 0.067 nan 8.250 nan 0.000 0.488 392 A N 4.179 127.059 122.820 0.100 0.000 2.488 392 A HA 0.018 4.338 4.320 -0.001 0.000 0.249 392 A C -0.240 177.448 177.584 0.173 0.000 1.083 392 A CA 0.030 52.154 52.037 0.146 0.000 0.768 392 A CB 0.313 19.405 19.000 0.153 0.000 1.017 392 A HN 0.807 nan 8.150 nan 0.000 0.496 393 Q N 1.149 121.084 119.800 0.224 0.000 2.290 393 Q HA 0.479 4.819 4.340 -0.001 0.000 0.259 393 Q C -0.889 175.308 176.000 0.328 0.000 0.941 393 Q CA -0.362 55.589 55.803 0.247 0.000 0.912 393 Q CB 0.921 29.821 28.738 0.270 0.000 1.244 393 Q HN 0.733 nan 8.270 nan 0.000 0.441 394 Q N 2.968 122.932 119.800 0.273 0.000 2.337 394 Q HA 0.450 4.790 4.340 -0.001 0.000 0.264 394 Q C -1.949 174.197 176.000 0.243 0.000 1.007 394 Q CA -0.384 55.593 55.803 0.290 0.000 0.727 394 Q CB 1.816 30.688 28.738 0.223 0.000 1.256 394 Q HN 0.488 nan 8.270 nan 0.000 0.467 395 V N 4.429 124.474 119.914 0.219 0.000 2.581 395 V HA 0.605 4.724 4.120 -0.001 0.000 0.303 395 V C -0.654 175.460 176.094 0.034 0.000 1.041 395 V CA -0.568 61.800 62.300 0.114 0.000 0.907 395 V CB 1.486 33.227 31.823 -0.136 0.000 0.994 395 V HN 0.662 nan 8.190 nan 0.000 0.442 396 F N 2.582 122.515 119.950 -0.030 0.000 2.492 396 F HA 0.841 5.367 4.527 -0.001 0.000 0.327 396 F C 0.028 175.796 175.800 -0.054 0.000 1.079 396 F CA -0.664 57.327 58.000 -0.015 0.000 0.967 396 F CB 2.154 41.115 39.000 -0.065 0.000 1.169 396 F HN 0.316 nan 8.300 nan 0.000 0.472 397 V N 1.674 121.658 119.914 0.118 0.000 3.225 397 V HA 0.363 4.482 4.120 -0.001 0.000 0.293 397 V C -1.740 174.365 176.094 0.020 0.000 1.405 397 V CA -0.676 61.637 62.300 0.023 0.000 1.038 397 V CB 2.542 34.360 31.823 -0.008 0.000 1.123 397 V HN 0.700 nan 8.190 nan 0.000 0.447 398 D N 1.931 122.296 120.400 -0.058 0.000 2.217 398 D HA 0.426 5.065 4.640 -0.001 0.000 0.248 398 D C -0.453 175.944 176.300 0.162 0.000 1.008 398 D CA -0.302 53.690 54.000 -0.013 0.000 0.914 398 D CB 1.147 41.801 40.800 -0.244 0.000 1.182 398 D HN 0.617 nan 8.370 nan 0.000 0.451 399 E N 0.515 120.806 120.200 0.153 0.000 2.752 399 E HA 0.249 4.598 4.350 -0.001 0.000 0.241 399 E C 0.973 177.704 176.600 0.219 0.000 1.016 399 E CA 0.586 57.081 56.400 0.159 0.000 0.952 399 E CB -0.091 29.679 29.700 0.117 0.000 0.921 399 E HN 0.747 nan 8.360 nan 0.000 0.515 400 G N 2.858 111.780 108.800 0.204 0.000 2.175 400 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.244 400 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.244 400 G C -0.089 174.874 174.900 0.104 0.000 0.982 400 G CA -0.114 45.118 45.100 0.220 0.000 0.641 400 G HN 0.627 nan 8.290 nan 0.000 0.527 401 H N 0.690 119.777 119.070 0.028 0.000 2.505 401 H HA 0.614 5.170 4.556 -0.000 0.000 0.355 401 H C 0.414 175.670 175.328 -0.120 0.000 1.179 401 H CA 0.909 56.930 56.048 -0.046 0.000 1.343 401 H CB 1.003 30.749 29.762 -0.028 0.000 1.501 401 H HN 0.111 nan 8.280 nan 0.000 0.569 402 T N 2.145 116.660 114.554 -0.065 0.000 2.767 402 T HA 0.486 4.835 4.350 -0.001 0.000 0.284 402 T C -0.531 174.095 174.700 -0.123 0.000 0.973 402 T CA -0.529 61.482 62.100 -0.149 0.000 0.996 402 T CB 0.645 69.386 68.868 -0.212 0.000 0.927 402 T HN 0.209 nan 8.240 nan 0.000 0.456 403 V N 3.072 122.881 119.914 -0.176 0.000 3.181 403 V HA 0.720 4.839 4.120 -0.001 0.000 0.308 403 V C -1.679 174.186 176.094 -0.381 0.000 1.214 403 V CA -0.871 61.273 62.300 -0.261 0.000 1.053 403 V CB 2.500 34.156 31.823 -0.278 0.000 1.069 403 V HN 1.014 nan 8.190 nan 0.000 0.441 404 Q N 1.631 121.135 119.800 -0.493 0.000 2.418 404 Q HA 0.650 4.990 4.340 -0.001 0.000 0.282 404 Q C -2.081 173.518 176.000 -0.668 0.000 1.044 404 Q CA -0.687 54.800 55.803 -0.525 0.000 0.813 404 Q CB 2.466 31.012 28.738 -0.321 0.000 1.428 404 Q HN 0.464 nan 8.270 nan 0.000 0.402 405 F N 0.456 120.203 119.950 -0.338 0.000 2.492 405 F HA 0.610 5.136 4.527 -0.001 0.000 0.327 405 F C 0.237 175.974 175.800 -0.105 0.000 1.079 405 F CA -1.193 56.657 58.000 -0.249 0.000 0.967 405 F CB 1.975 40.722 39.000 -0.422 0.000 1.169 405 F HN 0.476 nan 8.300 nan 0.000 0.472 406 V N -0.450 119.594 119.914 0.218 0.000 2.716 406 V HA 0.646 4.765 4.120 -0.001 0.000 0.304 406 V C -0.616 175.688 176.094 0.351 0.000 1.053 406 V CA -0.893 61.535 62.300 0.214 0.000 0.984 406 V CB 1.413 33.300 31.823 0.107 0.000 1.021 406 V HN 0.980 nan 8.190 nan 0.000 0.467 407 c N 5.202 123.984 118.600 0.304 0.000 3.384 407 c HA 0.478 5.047 4.570 -0.001 0.000 0.294 407 c C 0.190 174.346 174.090 0.111 0.000 1.062 407 c CA -0.573 55.884 56.329 0.213 0.000 1.325 407 c CB -0.465 42.170 42.510 0.209 0.000 1.793 407 c HN 1.039 nan 8.230 nan 0.000 0.563 408 R N 2.931 123.479 120.500 0.079 0.000 2.248 408 R HA 0.550 4.890 4.340 -0.001 0.000 0.337 408 R C 0.209 176.523 176.300 0.024 0.000 1.085 408 R CA 0.260 56.390 56.100 0.051 0.000 0.934 408 R CB 0.738 31.064 30.300 0.043 0.000 1.034 408 R HN 0.718 nan 8.270 nan 0.000 0.465 409 A N 3.039 125.868 122.820 0.016 0.000 2.355 409 A HA 0.549 4.869 4.320 -0.001 0.000 0.324 409 A C -0.944 176.642 177.584 0.002 0.000 1.117 409 A CA -0.846 51.189 52.037 -0.003 0.000 0.785 409 A CB 1.218 20.203 19.000 -0.025 0.000 1.254 409 A HN 0.744 nan 8.150 nan 0.000 0.453 410 D N -0.800 119.598 120.400 -0.003 0.000 2.559 410 D HA 0.810 5.449 4.640 -0.001 0.000 0.250 410 D C -0.115 176.182 176.300 -0.004 0.000 1.135 410 D CA -0.065 53.935 54.000 -0.000 0.000 0.955 410 D CB 1.485 42.286 40.800 0.003 0.000 1.442 410 D HN 1.267 nan 8.370 nan 0.000 0.471 411 G N -0.853 107.946 108.800 -0.001 0.000 2.320 411 G HA2 0.408 4.368 3.960 -0.001 0.000 0.297 411 G HA3 0.408 4.368 3.960 -0.001 0.000 0.297 411 G C -2.179 172.723 174.900 0.003 0.000 1.344 411 G CA -0.825 44.274 45.100 -0.001 0.000 0.851 411 G HN 0.720 nan 8.290 nan 0.000 0.567 412 D N 0.458 120.862 120.400 0.006 0.000 2.855 412 D HA 0.607 5.247 4.640 -0.001 0.000 0.241 412 D C -2.295 174.016 176.300 0.017 0.000 1.277 412 D CA -1.029 52.978 54.000 0.011 0.000 0.918 412 D CB 2.879 43.686 40.800 0.011 0.000 1.462 412 D HN 0.273 nan 8.370 nan 0.000 0.559 413 P HA 0.159 nan 4.420 nan 0.000 0.268 413 P C -2.482 174.824 177.300 0.010 0.000 1.208 413 P CA -1.076 62.034 63.100 0.017 0.000 0.777 413 P CB -0.354 31.358 31.700 0.020 0.000 0.875 414 P HA 0.069 nan 4.420 nan 0.000 0.263 414 P C -2.377 174.924 177.300 0.002 0.000 1.175 414 P CA -0.523 62.581 63.100 0.007 0.000 0.761 414 P CB -1.139 30.567 31.700 0.010 0.000 0.794 415 P HA 0.264 nan 4.420 nan 0.000 0.282 415 P C -0.584 176.709 177.300 -0.013 0.000 1.249 415 P CA -0.409 62.683 63.100 -0.013 0.000 0.806 415 P CB 0.632 32.319 31.700 -0.022 0.000 0.984 416 A N 3.399 126.206 122.820 -0.021 0.000 2.363 416 A HA 0.504 4.823 4.320 -0.001 0.000 0.270 416 A C -0.099 177.462 177.584 -0.038 0.000 1.121 416 A CA -0.282 51.742 52.037 -0.021 0.000 0.800 416 A CB -0.267 18.716 19.000 -0.028 0.000 1.052 416 A HN 0.393 nan 8.150 nan 0.000 0.493 417 I N 2.836 123.390 120.570 -0.026 0.000 2.377 417 I HA 0.417 4.587 4.170 -0.001 0.000 0.293 417 I C -0.198 175.876 176.117 -0.072 0.000 0.987 417 I CA -0.253 61.004 61.300 -0.072 0.000 1.185 417 I CB 0.817 38.803 38.000 -0.022 0.000 1.341 417 I HN 0.502 nan 8.210 nan 0.000 0.455 418 L N 4.821 125.934 121.223 -0.183 0.000 2.354 418 L HA 0.516 4.856 4.340 -0.001 0.000 0.269 418 L C -1.344 175.360 176.870 -0.276 0.000 1.005 418 L CA -0.676 54.094 54.840 -0.116 0.000 0.819 418 L CB 2.434 44.447 42.059 -0.076 0.000 1.311 418 L HN 0.491 nan 8.230 nan 0.000 0.423 419 W N 2.896 124.210 121.300 0.024 0.000 2.532 419 W HA 0.527 5.187 4.660 -0.001 0.000 0.321 419 W C -0.810 175.729 176.519 0.034 0.000 1.037 419 W CA -0.423 56.942 57.345 0.034 0.000 1.220 419 W CB 1.821 31.321 29.460 0.067 0.000 1.361 419 W HN 0.128 nan 8.180 nan 0.000 0.468 420 L N 4.832 126.202 121.223 0.245 0.000 2.262 420 L HA 0.430 4.770 4.340 -0.001 0.000 0.288 420 L C 0.583 177.484 176.870 0.052 0.000 1.035 420 L CA -0.225 54.679 54.840 0.106 0.000 0.820 420 L CB 0.306 42.363 42.059 -0.003 0.000 1.204 420 L HN 0.388 nan 8.230 nan 0.000 0.424 421 S N 4.727 120.425 115.700 -0.004 0.000 2.614 421 S HA 0.469 4.938 4.470 -0.001 0.000 0.265 421 S C -1.903 172.446 174.600 -0.418 0.000 1.303 421 S CA -0.889 57.118 58.200 -0.322 0.000 1.000 421 S CB 0.664 63.840 63.200 -0.039 0.000 0.935 421 S HN 0.580 nan 8.310 nan 0.000 0.551 422 P HA 0.163 nan 4.420 nan 0.000 0.245 422 P C 0.431 177.595 177.300 -0.228 0.000 1.212 422 P CA 0.388 63.267 63.100 -0.368 0.000 0.774 422 P CB -0.029 31.446 31.700 -0.375 0.000 0.999 423 R N 0.139 120.522 120.500 -0.194 0.000 2.334 423 R HA 0.195 4.534 4.340 -0.001 0.000 0.220 423 R C 0.237 176.319 176.300 -0.362 0.000 0.917 423 R CA -0.168 55.830 56.100 -0.170 0.000 1.073 423 R CB -0.303 29.998 30.300 0.003 0.000 1.056 423 R HN 0.009 nan 8.270 nan 0.000 0.506 424 K N 0.416 120.646 120.400 -0.283 0.000 3.125 424 K HA -0.204 4.115 4.320 -0.001 0.000 0.268 424 K C -1.050 175.349 176.600 -0.334 0.000 1.078 424 K CA 0.723 56.847 56.287 -0.273 0.000 0.775 424 K CB -1.621 30.734 32.500 -0.242 0.000 1.253 424 K HN 0.482 nan 8.250 nan 0.000 0.486 425 H N -0.504 118.550 119.070 -0.026 0.000 2.529 425 H HA 0.483 5.038 4.556 -0.001 0.000 0.348 425 H C -0.635 174.708 175.328 0.025 0.000 1.152 425 H CA -1.139 54.911 56.048 0.002 0.000 1.202 425 H CB 1.529 31.301 29.762 0.016 0.000 1.562 425 H HN 0.022 nan 8.280 nan 0.000 0.515 426 L N 3.708 125.034 121.223 0.172 0.000 2.297 426 L HA 0.275 4.614 4.340 -0.001 0.000 0.277 426 L C -1.072 175.872 176.870 0.124 0.000 1.040 426 L CA -0.445 54.463 54.840 0.114 0.000 0.867 426 L CB 0.163 42.258 42.059 0.060 0.000 1.244 426 L HN 0.399 nan 8.230 nan 0.000 0.433 427 V N 3.221 123.240 119.914 0.175 0.000 2.649 427 V HA 0.669 4.789 4.120 -0.001 0.000 0.292 427 V C 0.487 176.684 176.094 0.171 0.000 1.055 427 V CA -0.121 62.283 62.300 0.174 0.000 1.023 427 V CB 1.075 33.032 31.823 0.223 0.000 0.992 427 V HN 0.831 nan 8.190 nan 0.000 0.480 428 S N 1.819 117.590 115.700 0.120 0.000 2.819 428 S HA 0.709 5.179 4.470 -0.001 0.000 0.299 428 S C 0.995 175.634 174.600 0.065 0.000 1.192 428 S CA 0.198 58.451 58.200 0.087 0.000 0.847 428 S CB 1.466 64.690 63.200 0.039 0.000 1.224 428 S HN 0.993 nan 8.310 nan 0.000 0.537 429 A N 1.095 123.937 122.820 0.037 0.000 1.930 429 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 429 A C 1.702 179.277 177.584 -0.015 0.000 1.175 429 A CA 1.405 53.446 52.037 0.006 0.000 0.627 429 A CB -0.614 18.386 19.000 -0.001 0.000 0.815 429 A HN 0.764 nan 8.150 nan 0.000 0.443 430 K N 0.643 121.036 120.400 -0.012 0.000 2.366 430 K HA 0.072 4.391 4.320 -0.001 0.000 0.198 430 K C 0.206 176.795 176.600 -0.018 0.000 1.044 430 K CA 0.294 56.569 56.287 -0.021 0.000 0.973 430 K CB -0.028 32.458 32.500 -0.025 0.000 0.767 430 K HN 0.304 nan 8.250 nan 0.000 0.475 431 S N 2.279 117.976 115.700 -0.005 0.000 2.525 431 S HA 0.043 4.513 4.470 -0.001 0.000 0.285 431 S C -0.146 174.445 174.600 -0.016 0.000 1.283 431 S CA -0.113 58.085 58.200 -0.004 0.000 1.072 431 S CB 0.153 63.365 63.200 0.021 0.000 0.867 431 S HN 0.263 nan 8.310 nan 0.000 0.492 432 N N 1.912 120.600 118.700 -0.021 0.000 3.012 432 N HA 0.483 5.222 4.740 -0.001 0.000 0.270 432 N C 0.267 175.766 175.510 -0.018 0.000 1.469 432 N CA -0.475 52.561 53.050 -0.024 0.000 0.928 432 N CB 1.346 39.818 38.487 -0.025 0.000 1.219 432 N HN 0.636 nan 8.380 nan 0.000 0.492 433 G N -0.540 108.254 108.800 -0.010 0.000 3.166 433 G HA2 0.231 4.191 3.960 -0.001 0.000 0.267 433 G HA3 0.231 4.191 3.960 -0.001 0.000 0.267 433 G C 0.265 175.178 174.900 0.023 0.000 1.256 433 G CA -0.581 44.519 45.100 0.001 0.000 0.859 433 G HN 0.186 nan 8.290 nan 0.000 0.590 434 R N -1.045 119.482 120.500 0.044 0.000 2.316 434 R HA 0.131 4.470 4.340 -0.001 0.000 0.202 434 R C 0.011 176.342 176.300 0.051 0.000 1.029 434 R CA 0.368 56.511 56.100 0.073 0.000 1.018 434 R CB -0.384 29.986 30.300 0.116 0.000 0.888 434 R HN 0.190 nan 8.270 nan 0.000 0.471 435 L N 0.788 122.036 121.223 0.043 0.000 2.305 435 L HA 0.310 4.650 4.340 -0.001 0.000 0.284 435 L C -0.426 176.462 176.870 0.031 0.000 1.013 435 L CA -0.441 54.424 54.840 0.042 0.000 0.819 435 L CB 2.121 44.223 42.059 0.072 0.000 1.227 435 L HN -0.141 nan 8.230 nan 0.000 0.417 436 T N 1.845 116.420 114.554 0.034 0.000 2.863 436 T HA 0.591 4.941 4.350 -0.001 0.000 0.285 436 T C -0.302 174.453 174.700 0.091 0.000 1.009 436 T CA -0.604 61.509 62.100 0.021 0.000 0.989 436 T CB 2.357 71.204 68.868 -0.035 0.000 1.004 436 T HN 0.135 nan 8.240 nan 0.000 0.455 437 V N 3.269 123.232 119.914 0.082 0.000 2.384 437 V HA 0.465 4.585 4.120 -0.001 0.000 0.287 437 V C -0.545 175.630 176.094 0.135 0.000 1.020 437 V CA -0.886 61.538 62.300 0.206 0.000 0.850 437 V CB 0.531 32.514 31.823 0.267 0.000 0.987 437 V HN 0.798 nan 8.190 nan 0.000 0.436 438 F N 5.309 125.307 119.950 0.081 0.000 2.371 438 F HA 0.339 4.866 4.527 -0.000 0.000 0.329 438 F C -0.909 174.933 175.800 0.070 0.000 1.107 438 F CA -1.572 56.463 58.000 0.058 0.000 1.137 438 F CB 1.080 40.105 39.000 0.042 0.000 1.214 438 F HN 0.368 nan 8.300 nan 0.000 0.536 439 P HA -0.243 nan 4.420 nan 0.000 0.217 439 P C 0.678 178.061 177.300 0.137 0.000 1.151 439 P CA 1.812 64.989 63.100 0.128 0.000 0.849 439 P CB -0.080 31.678 31.700 0.098 0.000 0.787 440 D N -2.676 117.826 120.400 0.168 0.000 2.363 440 D HA 0.086 4.725 4.640 -0.001 0.000 0.220 440 D C 1.347 177.735 176.300 0.147 0.000 0.994 440 D CA 0.941 55.017 54.000 0.127 0.000 0.890 440 D CB -0.789 40.071 40.800 0.099 0.000 0.906 440 D HN 0.254 nan 8.370 nan 0.000 0.530 441 G N -0.318 108.610 108.800 0.215 0.000 2.168 441 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.197 441 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.197 441 G C 0.375 175.533 174.900 0.430 0.000 0.997 441 G CA 0.088 45.353 45.100 0.275 0.000 0.658 441 G HN 0.777 nan 8.290 nan 0.000 0.513 442 T N -0.712 114.028 114.554 0.310 0.000 2.869 442 T HA 0.659 5.008 4.350 -0.001 0.000 0.295 442 T C 0.117 174.929 174.700 0.186 0.000 0.987 442 T CA -0.334 61.892 62.100 0.210 0.000 1.109 442 T CB 2.279 71.122 68.868 -0.042 0.000 0.932 442 T HN 1.185 nan 8.240 nan 0.000 0.518 443 L N 2.206 123.355 121.223 -0.124 0.000 2.295 443 L HA 0.605 4.945 4.340 -0.001 0.000 0.285 443 L C -0.125 176.636 176.870 -0.181 0.000 1.035 443 L CA -0.389 54.247 54.840 -0.340 0.000 0.806 443 L CB 1.285 42.570 42.059 -1.291 0.000 1.214 443 L HN 0.925 nan 8.230 nan 0.000 0.426 444 E N 3.850 124.026 120.200 -0.040 0.000 2.187 444 E HA 0.542 4.892 4.350 -0.001 0.000 0.268 444 E C -1.776 174.791 176.600 -0.055 0.000 0.896 444 E CA -0.844 55.526 56.400 -0.050 0.000 0.766 444 E CB 1.826 31.583 29.700 0.095 0.000 1.142 444 E HN 0.525 nan 8.360 nan 0.000 0.408 445 V N 5.967 125.820 119.914 -0.102 0.000 2.334 445 V HA 0.308 4.427 4.120 -0.001 0.000 0.281 445 V C 1.113 177.156 176.094 -0.085 0.000 1.016 445 V CA -0.538 61.729 62.300 -0.055 0.000 0.832 445 V CB 1.149 32.949 31.823 -0.038 0.000 0.999 445 V HN 0.785 nan 8.190 nan 0.000 0.439 446 R N 2.726 123.180 120.500 -0.076 0.000 2.062 446 R HA 0.090 4.430 4.340 -0.001 0.000 0.226 446 R C -0.285 175.746 176.300 -0.449 0.000 1.125 446 R CA 1.235 57.191 56.100 -0.240 0.000 0.966 446 R CB 0.174 30.372 30.300 -0.169 0.000 0.861 446 R HN 0.651 nan 8.270 nan 0.000 0.433 447 Y N 0.062 120.368 120.300 0.010 0.000 2.787 447 Y HA 0.386 4.935 4.550 -0.001 0.000 0.352 447 Y C -0.453 175.467 175.900 0.034 0.000 1.027 447 Y CA -0.958 57.150 58.100 0.013 0.000 1.219 447 Y CB 1.123 39.585 38.460 0.003 0.000 1.110 447 Y HN 0.058 nan 8.280 nan 0.000 0.614 448 A N 3.362 126.258 122.820 0.127 0.000 2.567 448 A HA 0.301 4.620 4.320 -0.001 0.000 0.240 448 A C 0.235 177.899 177.584 0.133 0.000 1.053 448 A CA 0.092 52.200 52.037 0.117 0.000 0.755 448 A CB 0.064 19.117 19.000 0.088 0.000 0.978 448 A HN 0.757 nan 8.150 nan 0.000 0.507 449 Q N 1.162 121.034 119.800 0.120 0.000 2.528 449 Q HA 0.566 4.905 4.340 -0.001 0.000 0.289 449 Q C 0.489 176.541 176.000 0.087 0.000 1.091 449 Q CA -0.358 55.505 55.803 0.099 0.000 0.797 449 Q CB 1.240 30.030 28.738 0.088 0.000 1.466 449 Q HN 0.736 nan 8.270 nan 0.000 0.436 450 V N -2.198 117.757 119.914 0.068 0.000 2.568 450 V HA -0.282 3.838 4.120 -0.001 0.000 0.253 450 V C 1.611 177.733 176.094 0.047 0.000 1.072 450 V CA 1.812 64.143 62.300 0.053 0.000 1.084 450 V CB -0.998 30.850 31.823 0.041 0.000 0.676 450 V HN 0.731 nan 8.190 nan 0.000 0.469 451 Q N 0.733 120.564 119.800 0.053 0.000 2.226 451 Q HA -0.110 4.229 4.340 -0.001 0.000 0.204 451 Q C 1.731 177.766 176.000 0.058 0.000 0.975 451 Q CA 1.748 57.580 55.803 0.048 0.000 0.866 451 Q CB -0.395 28.376 28.738 0.056 0.000 0.915 451 Q HN 0.704 nan 8.270 nan 0.000 0.440 452 D N -0.434 120.025 120.400 0.098 0.000 2.339 452 D HA 0.005 4.644 4.640 -0.001 0.000 0.217 452 D C -0.197 176.214 176.300 0.184 0.000 1.050 452 D CA 0.026 54.125 54.000 0.165 0.000 0.856 452 D CB -0.307 40.625 40.800 0.220 0.000 0.922 452 D HN 0.198 nan 8.370 nan 0.000 0.518 453 N N 0.557 119.312 118.700 0.091 0.000 2.518 453 N HA 0.342 5.081 4.740 -0.001 0.000 0.266 453 N C 0.480 175.984 175.510 -0.010 0.000 1.196 453 N CA 0.830 53.911 53.050 0.052 0.000 0.947 453 N CB 0.684 39.175 38.487 0.006 0.000 1.098 453 N HN 0.130 nan 8.380 nan 0.000 0.450 454 G N 0.343 109.131 108.800 -0.020 0.000 2.316 454 G HA2 0.012 3.972 3.960 -0.001 0.000 0.349 454 G HA3 0.012 3.972 3.960 -0.001 0.000 0.349 454 G C -0.866 174.013 174.900 -0.034 0.000 1.274 454 G CA -0.392 44.663 45.100 -0.075 0.000 1.018 454 G HN 0.855 nan 8.290 nan 0.000 0.486 455 T N -1.346 113.151 114.554 -0.095 0.000 2.817 455 T HA 0.667 5.017 4.350 -0.001 0.000 0.293 455 T C -0.421 174.130 174.700 -0.248 0.000 0.964 455 T CA -0.126 61.886 62.100 -0.147 0.000 1.085 455 T CB 0.944 69.716 68.868 -0.160 0.000 0.921 455 T HN 0.600 nan 8.240 nan 0.000 0.502 456 Y N 1.864 122.006 120.300 -0.264 0.000 2.457 456 Y HA 0.664 5.213 4.550 -0.001 0.000 0.333 456 Y C -0.139 175.717 175.900 -0.074 0.000 1.119 456 Y CA -1.371 56.619 58.100 -0.183 0.000 1.143 456 Y CB 1.853 40.048 38.460 -0.442 0.000 1.230 456 Y HN 0.599 nan 8.280 nan 0.000 0.469 457 L N 2.791 124.113 121.223 0.166 0.000 2.376 457 L HA 0.493 4.833 4.340 -0.001 0.000 0.275 457 L C -1.210 175.509 176.870 -0.251 0.000 0.987 457 L CA -0.664 54.160 54.840 -0.026 0.000 0.828 457 L CB 1.176 43.188 42.059 -0.078 0.000 1.249 457 L HN 0.803 nan 8.230 nan 0.000 0.409 458 c N 6.453 124.690 118.600 -0.606 0.000 2.347 458 c HA 0.667 5.237 4.570 -0.001 0.000 0.353 458 c C 0.001 173.756 174.090 -0.558 0.000 1.273 458 c CA -0.636 55.023 56.329 -1.116 0.000 1.861 458 c CB -0.840 40.909 42.510 -1.269 0.000 2.420 458 c HN 0.710 nan 8.230 nan 0.000 0.542 459 I N 5.756 126.028 120.570 -0.496 0.000 2.418 459 I HA 0.522 4.691 4.170 -0.001 0.000 0.287 459 I C 0.163 176.137 176.117 -0.238 0.000 1.008 459 I CA -0.165 60.968 61.300 -0.279 0.000 1.104 459 I CB 1.551 39.435 38.000 -0.193 0.000 1.264 459 I HN 0.745 nan 8.210 nan 0.000 0.438 460 A N 5.291 128.009 122.820 -0.171 0.000 2.287 460 A HA 0.925 5.244 4.320 -0.001 0.000 0.317 460 A C -0.553 176.982 177.584 -0.082 0.000 1.220 460 A CA -0.453 51.512 52.037 -0.119 0.000 0.835 460 A CB 1.125 20.065 19.000 -0.100 0.000 1.180 460 A HN 0.791 nan 8.150 nan 0.000 0.500 461 A N 3.426 126.207 122.820 -0.065 0.000 2.393 461 A HA 0.798 5.117 4.320 -0.001 0.000 0.306 461 A C -0.509 177.056 177.584 -0.032 0.000 1.050 461 A CA -0.651 51.357 52.037 -0.048 0.000 0.724 461 A CB 1.098 20.067 19.000 -0.052 0.000 1.248 461 A HN 1.188 nan 8.150 nan 0.000 0.424 462 N N 0.470 119.157 118.700 -0.021 0.000 3.229 462 N HA 0.621 5.361 4.740 -0.001 0.000 0.315 462 N C 0.698 176.208 175.510 -0.000 0.000 1.520 462 N CA -0.033 53.012 53.050 -0.008 0.000 0.769 462 N CB 0.799 39.285 38.487 -0.001 0.000 1.766 462 N HN 0.564 nan 8.380 nan 0.000 0.618 463 A N -0.769 122.060 122.820 0.015 0.000 2.015 463 A HA 0.147 4.466 4.320 -0.001 0.000 0.219 463 A C 1.775 179.376 177.584 0.029 0.000 1.163 463 A CA 1.692 53.746 52.037 0.028 0.000 0.646 463 A CB -1.488 17.543 19.000 0.052 0.000 0.806 463 A HN 0.798 nan 8.150 nan 0.000 0.448 464 G N -1.483 107.331 108.800 0.024 0.000 2.650 464 G HA2 0.417 4.376 3.960 -0.001 0.000 0.214 464 G HA3 0.417 4.376 3.960 -0.001 0.000 0.214 464 G C 0.753 175.659 174.900 0.011 0.000 1.136 464 G CA 0.872 45.985 45.100 0.022 0.000 0.789 464 G HN 1.550 nan 8.290 nan 0.000 0.536 465 G N -0.497 108.304 108.800 0.002 0.000 2.361 465 G HA2 0.359 4.319 3.960 -0.001 0.000 0.331 465 G HA3 0.359 4.319 3.960 -0.001 0.000 0.331 465 G C -1.488 173.402 174.900 -0.018 0.000 1.324 465 G CA -0.314 44.782 45.100 -0.007 0.000 0.984 465 G HN 0.819 nan 8.290 nan 0.000 0.586 466 N N -0.381 118.304 118.700 -0.025 0.000 2.571 466 N HA 0.801 5.540 4.740 -0.001 0.000 0.273 466 N C -1.467 174.017 175.510 -0.043 0.000 1.340 466 N CA -0.800 52.227 53.050 -0.039 0.000 0.789 466 N CB 2.524 40.983 38.487 -0.047 0.000 1.514 466 N HN 0.697 nan 8.380 nan 0.000 0.499 467 D N -1.856 118.508 120.400 -0.059 0.000 2.602 467 D HA 0.647 5.286 4.640 -0.001 0.000 0.236 467 D C -1.677 174.568 176.300 -0.092 0.000 1.209 467 D CA -0.295 53.667 54.000 -0.063 0.000 0.831 467 D CB 2.221 42.989 40.800 -0.053 0.000 1.478 467 D HN 0.483 nan 8.370 nan 0.000 0.438 468 S N 1.533 117.181 115.700 -0.087 0.000 2.549 468 S HA 0.803 5.273 4.470 -0.001 0.000 0.280 468 S C -1.430 173.111 174.600 -0.099 0.000 1.109 468 S CA -0.691 57.441 58.200 -0.114 0.000 0.905 468 S CB 0.806 63.950 63.200 -0.095 0.000 1.081 468 S HN 0.476 nan 8.310 nan 0.000 0.477 469 M N 4.485 124.006 119.600 -0.131 0.000 2.322 469 M HA 0.501 4.981 4.480 -0.001 0.000 0.286 469 M C -2.880 173.371 176.300 -0.081 0.000 1.111 469 M CA -1.847 53.406 55.300 -0.079 0.000 0.941 469 M CB 2.442 35.012 32.600 -0.050 0.000 1.671 469 M HN 0.442 nan 8.290 nan 0.000 0.470 470 P HA 0.631 nan 4.420 nan 0.000 0.282 470 P C -1.819 175.453 177.300 -0.046 0.000 1.259 470 P CA -0.518 62.535 63.100 -0.078 0.000 0.826 470 P CB 1.316 32.954 31.700 -0.104 0.000 1.064 471 A N 1.240 123.978 122.820 -0.135 0.000 2.456 471 A HA 0.521 4.840 4.320 -0.001 0.000 0.288 471 A C -1.031 176.468 177.584 -0.142 0.000 1.042 471 A CA -0.574 51.440 52.037 -0.039 0.000 0.738 471 A CB 0.694 19.713 19.000 0.032 0.000 1.266 471 A HN 0.592 nan 8.150 nan 0.000 0.407 472 H N 1.771 120.974 119.070 0.223 0.000 2.463 472 H HA 0.583 5.139 4.556 -0.000 0.000 0.332 472 H C -1.228 174.297 175.328 0.328 0.000 1.127 472 H CA -0.449 55.725 56.048 0.211 0.000 1.238 472 H CB 2.185 32.051 29.762 0.173 0.000 1.478 472 H HN 0.510 nan 8.280 nan 0.000 0.499 473 L N 3.400 124.828 121.223 0.340 0.000 2.349 473 L HA 0.268 4.608 4.340 -0.001 0.000 0.278 473 L C -1.113 175.744 176.870 -0.021 0.000 0.996 473 L CA -0.495 54.521 54.840 0.294 0.000 0.825 473 L CB 1.030 43.376 42.059 0.477 0.000 1.243 473 L HN 0.577 nan 8.230 nan 0.000 0.412 474 H N 3.474 122.411 119.070 -0.222 0.000 2.481 474 H HA 0.659 5.215 4.556 -0.001 0.000 0.333 474 H C -0.342 174.895 175.328 -0.152 0.000 1.066 474 H CA -0.413 55.449 56.048 -0.310 0.000 1.209 474 H CB 1.865 31.112 29.762 -0.859 0.000 1.445 474 H HN 0.461 nan 8.280 nan 0.000 0.488 475 V N 0.000 119.941 119.914 0.045 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 475 V CA 0.000 62.342 62.300 0.070 0.000 1.235 475 V CB 0.000 31.866 31.823 0.072 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556