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 3d4c_1_A DATA FIRST_RESID 5 DATA SEQUENCE EGKLVIWING DKGYNGLAEV GKKFEKDTGI KVTVEHPDKL EEKFPQVAAT DATA SEQUENCE GDGPDIIFWA HDRFGGYAQS GLLAEITPDK AFQDKLYPFT WDAVRYNGKL DATA SEQUENCE IAYPIAVEAL SLIYNKDLLP NPPKTWEEIP ALDKELKAKG KSALMFNLQE DATA SEQUENCE PYFTWPLIAA DGGYAFKYEN GKYDIKDVGV DNAGAKAGLT FLVDLIKNKH DATA SEQUENCE MNADTDYSIA EAAFNKGETA MTINGPWAWS NIDTSKVNYG VTVLPTFKGQ DATA SEQUENCE PSKPFVGVLS AGINAASPNK ELAKEFLENY LLTDEGLEAV NKDKPLGAVA DATA SEQUENCE LKSYEEELAK DPRIAATMEN AQKGEIMPNI PQMSAFWYAV RTAVINAASG DATA SEQUENCE RQTVDAALAA AQTNAAAVKV EcLEAELVVT VSRDLFGTGK LVQPGDLTLG DATA SEQUENCE SEGcQPRVSV DTDVVRFNAQ LHEcSSRVQM TKDALVYSTF LLHDPRPVSG DATA SEQUENCE LSILRTNRVE VPIEcRYPRL 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.599 176.600 -0.002 0.000 1.382 5 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 5 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 6 G N 2.803 111.604 108.800 0.003 0.000 2.147 6 G HA2 -0.080 3.874 3.960 -0.009 0.000 0.128 6 G HA3 -0.080 3.874 3.960 -0.009 0.000 0.128 6 G C -0.459 174.448 174.900 0.012 0.000 1.026 6 G CA 0.104 45.208 45.100 0.007 0.000 0.693 6 G HN 0.833 nan 8.290 nan 0.000 0.499 7 K N -1.180 119.228 120.400 0.013 0.000 2.672 7 K HA 0.767 5.081 4.320 -0.009 0.000 0.295 7 K C -1.778 174.816 176.600 -0.011 0.000 1.042 7 K CA -1.283 55.011 56.287 0.012 0.000 0.869 7 K CB 0.898 33.400 32.500 0.004 0.000 1.541 7 K HN 0.261 nan 8.250 nan 0.000 0.396 8 L N 1.882 123.079 121.223 -0.044 0.000 2.404 8 L HA 0.455 4.789 4.340 -0.009 0.000 0.272 8 L C -1.081 175.726 176.870 -0.106 0.000 0.980 8 L CA -1.241 53.532 54.840 -0.112 0.000 0.836 8 L CB 2.188 44.102 42.059 -0.240 0.000 1.238 8 L HN 0.417 nan 8.230 nan 0.000 0.408 9 V N 4.886 124.755 119.914 -0.076 0.000 2.439 9 V HA 0.475 4.589 4.120 -0.009 0.000 0.282 9 V C 0.113 176.195 176.094 -0.020 0.000 1.039 9 V CA -0.233 62.054 62.300 -0.021 0.000 0.913 9 V CB 1.850 33.673 31.823 -0.000 0.000 0.983 9 V HN 0.492 nan 8.190 nan 0.000 0.460 10 I N 3.503 124.133 120.570 0.099 0.000 2.545 10 I HA 0.451 4.616 4.170 -0.009 0.000 0.292 10 I C -1.204 175.197 176.117 0.473 0.000 1.040 10 I CA -0.452 60.964 61.300 0.193 0.000 1.068 10 I CB 2.320 40.415 38.000 0.158 0.000 1.251 10 I HN 0.514 nan 8.210 nan 0.000 0.424 11 W N 6.984 128.366 121.300 0.137 0.000 2.573 11 W HA 0.739 5.394 4.660 -0.008 0.000 0.326 11 W C -0.450 176.214 176.519 0.241 0.000 1.049 11 W CA -0.995 56.425 57.345 0.125 0.000 1.220 11 W CB 1.433 30.928 29.460 0.059 0.000 1.373 11 W HN 0.194 nan 8.180 nan 0.000 0.507 12 I N 3.260 124.031 120.570 0.336 0.000 2.841 12 I HA 0.251 4.416 4.170 -0.009 0.000 0.298 12 I C -0.320 175.879 176.117 0.135 0.000 1.304 12 I CA -0.807 60.647 61.300 0.258 0.000 1.019 12 I CB 1.644 39.673 38.000 0.048 0.000 1.282 12 I HN 0.245 nan 8.210 nan 0.000 0.432 13 N N 3.431 122.201 118.700 0.116 0.000 2.344 13 N HA 0.129 4.863 4.740 -0.009 0.000 0.236 13 N C 1.019 176.492 175.510 -0.062 0.000 1.279 13 N CA 1.226 54.290 53.050 0.023 0.000 0.882 13 N CB 1.359 39.750 38.487 -0.160 0.000 1.110 13 N HN 0.772 nan 8.380 nan 0.000 0.436 14 G N 0.353 109.104 108.800 -0.082 0.000 2.598 14 G HA2 -0.193 3.761 3.960 -0.009 0.000 0.215 14 G HA3 -0.193 3.761 3.960 -0.009 0.000 0.215 14 G C 0.681 175.552 174.900 -0.048 0.000 1.131 14 G CA 0.726 45.762 45.100 -0.106 0.000 0.785 14 G HN 0.793 nan 8.290 nan 0.000 0.539 15 D N -0.305 119.988 120.400 -0.178 0.000 2.339 15 D HA 0.059 4.694 4.640 -0.009 0.000 0.217 15 D C 0.861 177.064 176.300 -0.161 0.000 1.050 15 D CA 0.175 54.041 54.000 -0.223 0.000 0.856 15 D CB 0.219 40.688 40.800 -0.552 0.000 0.922 15 D HN 0.010 nan 8.370 nan 0.000 0.518 16 K N 0.204 120.538 120.400 -0.110 0.000 2.177 16 K HA 0.512 4.827 4.320 -0.009 0.000 0.238 16 K C 0.815 177.408 176.600 -0.012 0.000 1.015 16 K CA -0.714 55.531 56.287 -0.070 0.000 0.922 16 K CB 0.694 33.119 32.500 -0.125 0.000 1.127 16 K HN 0.023 nan 8.250 nan 0.000 0.469 17 G N 1.782 110.540 108.800 -0.069 0.000 3.101 17 G HA2 0.123 4.078 3.960 -0.009 0.000 0.272 17 G HA3 0.123 4.078 3.960 -0.009 0.000 0.272 17 G C 0.711 175.502 174.900 -0.181 0.000 0.801 17 G CA -0.168 44.836 45.100 -0.159 0.000 1.978 17 G HN 0.593 nan 8.290 nan 0.000 0.591 18 Y N -0.343 119.873 120.300 -0.140 0.000 2.373 18 Y HA -0.009 4.535 4.550 -0.009 0.000 0.293 18 Y C 2.092 177.939 175.900 -0.088 0.000 1.129 18 Y CA 0.531 58.547 58.100 -0.139 0.000 1.226 18 Y CB -0.334 38.018 38.460 -0.179 0.000 1.000 18 Y HN 0.263 nan 8.280 nan 0.000 0.549 19 N N 1.111 119.505 118.700 -0.510 0.000 2.188 19 N HA -0.089 4.646 4.740 -0.009 0.000 0.184 19 N C 2.065 177.508 175.510 -0.112 0.000 1.018 19 N CA 1.418 54.312 53.050 -0.261 0.000 0.858 19 N CB -0.688 37.584 38.487 -0.359 0.000 0.989 19 N HN 0.629 nan 8.380 nan 0.000 0.426 20 G N 0.854 109.579 108.800 -0.125 0.000 2.421 20 G HA2 -0.145 3.809 3.960 -0.009 0.000 0.217 20 G HA3 -0.145 3.809 3.960 -0.009 0.000 0.217 20 G C 1.542 176.436 174.900 -0.011 0.000 1.143 20 G CA 0.194 45.260 45.100 -0.056 0.000 0.784 20 G HN 0.222 nan 8.290 nan 0.000 0.541 21 L N 1.244 122.458 121.223 -0.015 0.000 2.156 21 L HA 0.319 4.654 4.340 -0.009 0.000 0.208 21 L C 2.869 179.810 176.870 0.119 0.000 1.095 21 L CA 1.724 56.589 54.840 0.042 0.000 0.770 21 L CB -0.512 41.525 42.059 -0.037 0.000 0.914 21 L HN 0.194 nan 8.230 nan 0.000 0.439 22 A N -0.967 121.904 122.820 0.086 0.000 2.066 22 A HA -0.144 4.171 4.320 -0.009 0.000 0.218 22 A C 2.103 179.752 177.584 0.109 0.000 1.157 22 A CA 1.396 53.494 52.037 0.101 0.000 0.670 22 A CB -0.437 18.622 19.000 0.097 0.000 0.804 22 A HN 0.598 nan 8.150 nan 0.000 0.453 23 E N -0.244 120.009 120.200 0.090 0.000 2.107 23 E HA -0.085 4.259 4.350 -0.009 0.000 0.191 23 E C 1.797 178.483 176.600 0.143 0.000 0.982 23 E CA 1.122 57.578 56.400 0.092 0.000 0.809 23 E CB -0.192 29.541 29.700 0.054 0.000 0.756 23 E HN 0.411 nan 8.360 nan 0.000 0.459 24 V N 0.877 120.891 119.914 0.168 0.000 2.594 24 V HA -0.157 3.957 4.120 -0.009 0.000 0.253 24 V C 2.229 178.580 176.094 0.427 0.000 1.069 24 V CA 1.814 64.256 62.300 0.236 0.000 1.082 24 V CB -0.763 31.153 31.823 0.155 0.000 0.680 24 V HN 0.380 nan 8.190 nan 0.000 0.469 25 G N -0.565 108.463 108.800 0.380 0.000 2.408 25 G HA2 -0.121 3.834 3.960 -0.009 0.000 0.215 25 G HA3 -0.121 3.834 3.960 -0.009 0.000 0.215 25 G C 1.637 176.688 174.900 0.251 0.000 1.156 25 G CA 0.128 45.420 45.100 0.320 0.000 0.793 25 G HN 0.322 nan 8.290 nan 0.000 0.535 26 K N 0.680 121.193 120.400 0.187 0.000 2.103 26 K HA -0.078 4.237 4.320 -0.009 0.000 0.207 26 K C 2.257 178.953 176.600 0.160 0.000 1.048 26 K CA 1.179 57.551 56.287 0.142 0.000 0.930 26 K CB -0.184 32.380 32.500 0.107 0.000 0.716 26 K HN 0.412 nan 8.250 nan 0.000 0.444 27 K N -0.187 120.344 120.400 0.218 0.000 2.062 27 K HA -0.085 4.229 4.320 -0.009 0.000 0.205 27 K C 2.066 178.843 176.600 0.294 0.000 1.051 27 K CA 0.691 57.128 56.287 0.250 0.000 0.941 27 K CB -0.194 32.481 32.500 0.292 0.000 0.719 27 K HN -0.040 nan 8.250 nan 0.000 0.440 28 F N 2.303 122.325 119.950 0.120 0.000 2.216 28 F HA -0.124 4.398 4.527 -0.009 0.000 0.300 28 F C 2.143 177.888 175.800 -0.092 0.000 1.085 28 F CA 1.684 59.575 58.000 -0.182 0.000 1.326 28 F CB 0.049 38.978 39.000 -0.118 0.000 1.027 28 F HN 0.203 nan 8.300 nan 0.000 0.497 29 E N 0.143 120.384 120.200 0.068 0.000 2.158 29 E HA -0.205 4.140 4.350 -0.009 0.000 0.191 29 E C 2.260 178.837 176.600 -0.038 0.000 0.982 29 E CA 0.729 57.124 56.400 -0.008 0.000 0.823 29 E CB -0.161 29.574 29.700 0.059 0.000 0.766 29 E HN 0.423 nan 8.360 nan 0.000 0.468 30 K N 0.214 120.621 120.400 0.011 0.000 2.097 30 K HA -0.147 4.168 4.320 -0.009 0.000 0.205 30 K C 1.051 177.647 176.600 -0.007 0.000 1.050 30 K CA 1.790 58.087 56.287 0.018 0.000 0.938 30 K CB 0.165 32.699 32.500 0.055 0.000 0.718 30 K HN 0.058 nan 8.250 nan 0.000 0.442 31 D N -0.864 119.524 120.400 -0.021 0.000 2.271 31 D HA -0.020 4.615 4.640 -0.009 0.000 0.206 31 D C 1.041 177.275 176.300 -0.110 0.000 0.967 31 D CA 1.035 55.025 54.000 -0.016 0.000 0.867 31 D CB 0.474 41.342 40.800 0.114 0.000 0.960 31 D HN 0.202 nan 8.370 nan 0.000 0.509 32 T N -1.905 112.496 114.554 -0.255 0.000 2.975 32 T HA 0.349 4.694 4.350 -0.009 0.000 0.257 32 T C 1.519 176.102 174.700 -0.195 0.000 1.003 32 T CA 0.369 62.293 62.100 -0.294 0.000 0.932 32 T CB 1.405 69.913 68.868 -0.601 0.000 1.087 32 T HN 0.187 nan 8.240 nan 0.000 0.512 33 G N 1.727 110.435 108.800 -0.153 0.000 2.179 33 G HA2 -0.227 3.728 3.960 -0.009 0.000 0.260 33 G HA3 -0.227 3.728 3.960 -0.009 0.000 0.260 33 G C -0.055 174.806 174.900 -0.065 0.000 0.977 33 G CA -0.247 44.805 45.100 -0.081 0.000 0.641 33 G HN 0.479 nan 8.290 nan 0.000 0.533 34 I N 1.331 121.841 120.570 -0.100 0.000 2.325 34 I HA 0.366 4.531 4.170 -0.009 0.000 0.291 34 I C 0.683 176.830 176.117 0.050 0.000 1.019 34 I CA -0.738 60.553 61.300 -0.015 0.000 1.302 34 I CB 1.519 39.536 38.000 0.028 0.000 1.401 34 I HN 0.168 nan 8.210 nan 0.000 0.485 35 K N 5.556 125.981 120.400 0.042 0.000 2.298 35 K HA 0.477 4.792 4.320 -0.009 0.000 0.280 35 K C -1.162 175.462 176.600 0.039 0.000 1.032 35 K CA -0.356 55.959 56.287 0.046 0.000 0.958 35 K CB 0.750 33.266 32.500 0.028 0.000 0.978 35 K HN 0.399 nan 8.250 nan 0.000 0.472 36 V N 3.804 123.736 119.914 0.030 0.000 2.417 36 V HA 0.228 4.343 4.120 -0.009 0.000 0.291 36 V C -0.530 175.552 176.094 -0.020 0.000 1.024 36 V CA -0.711 61.558 62.300 -0.052 0.000 0.861 36 V CB 1.788 33.515 31.823 -0.161 0.000 0.985 36 V HN 0.839 nan 8.190 nan 0.000 0.436 37 T N 4.621 119.165 114.554 -0.016 0.000 2.821 37 T HA 0.421 4.766 4.350 -0.009 0.000 0.307 37 T C -0.210 174.526 174.700 0.062 0.000 1.034 37 T CA -0.297 61.823 62.100 0.032 0.000 0.953 37 T CB 1.132 70.028 68.868 0.046 0.000 0.968 37 T HN 0.324 nan 8.240 nan 0.000 0.462 38 V N 4.557 124.518 119.914 0.079 0.000 2.432 38 V HA 0.361 4.475 4.120 -0.009 0.000 0.275 38 V C 0.331 176.508 176.094 0.138 0.000 1.043 38 V CA -0.449 61.924 62.300 0.121 0.000 0.925 38 V CB 0.962 32.857 31.823 0.120 0.000 0.985 38 V HN 0.811 nan 8.190 nan 0.000 0.466 39 E N 2.674 122.961 120.200 0.145 0.000 2.277 39 E HA 0.555 4.900 4.350 -0.009 0.000 0.266 39 E C -1.030 175.511 176.600 -0.098 0.000 0.901 39 E CA -0.762 55.631 56.400 -0.012 0.000 0.782 39 E CB 2.037 31.674 29.700 -0.105 0.000 1.228 39 E HN 0.990 nan 8.360 nan 0.000 0.424 40 H N -1.008 117.842 119.070 -0.368 0.000 2.535 40 H HA 0.379 4.930 4.556 -0.009 0.000 0.232 40 H C -2.710 172.382 175.328 -0.394 0.000 1.405 40 H CA -2.172 53.644 56.048 -0.387 0.000 1.224 40 H CB -0.468 28.966 29.762 -0.547 0.000 1.763 40 H HN 0.138 nan 8.280 nan 0.000 0.529 41 P HA 0.015 nan 4.420 nan 0.000 0.269 41 P C 0.152 177.252 177.300 -0.333 0.000 1.209 41 P CA -0.062 62.703 63.100 -0.558 0.000 0.776 41 P CB 0.885 32.072 31.700 -0.854 0.000 0.876 42 D N 1.975 122.226 120.400 -0.248 0.000 2.341 42 D HA 0.051 4.685 4.640 -0.009 0.000 0.245 42 D C 0.324 176.543 176.300 -0.135 0.000 1.106 42 D CA 0.063 53.975 54.000 -0.146 0.000 0.905 42 D CB 0.261 40.994 40.800 -0.111 0.000 1.202 42 D HN 0.207 nan 8.370 nan 0.000 0.426 43 K N 2.006 122.350 120.400 -0.094 0.000 3.088 43 K HA -0.187 4.128 4.320 -0.009 0.000 0.273 43 K C 1.274 177.785 176.600 -0.149 0.000 1.111 43 K CA 0.782 57.002 56.287 -0.113 0.000 0.803 43 K CB -2.152 30.294 32.500 -0.090 0.000 1.226 43 K HN 0.550 nan 8.250 nan 0.000 0.485 44 L N -0.382 120.748 121.223 -0.156 0.000 2.265 44 L HA -0.087 4.247 4.340 -0.009 0.000 0.215 44 L C 2.214 179.023 176.870 -0.102 0.000 1.117 44 L CA 2.057 56.838 54.840 -0.098 0.000 0.782 44 L CB -0.387 41.629 42.059 -0.072 0.000 0.914 44 L HN 0.247 nan 8.230 nan 0.000 0.441 45 E N 0.952 120.877 120.200 -0.457 0.000 2.216 45 E HA -0.213 4.131 4.350 -0.009 0.000 0.192 45 E C 1.511 177.973 176.600 -0.230 0.000 0.988 45 E CA 1.453 57.475 56.400 -0.631 0.000 0.834 45 E CB -0.348 28.439 29.700 -1.521 0.000 0.772 45 E HN 0.810 nan 8.360 nan 0.000 0.479 46 E N 0.715 120.809 120.200 -0.175 0.000 2.276 46 E HA 0.043 4.388 4.350 -0.009 0.000 0.193 46 E C 1.955 178.544 176.600 -0.018 0.000 0.983 46 E CA 0.283 56.636 56.400 -0.077 0.000 0.861 46 E CB 0.220 29.867 29.700 -0.087 0.000 0.817 46 E HN 0.208 nan 8.360 nan 0.000 0.485 47 K N 0.358 120.767 120.400 0.016 0.000 2.137 47 K HA -0.046 4.268 4.320 -0.009 0.000 0.202 47 K C 1.885 178.569 176.600 0.140 0.000 1.052 47 K CA 0.554 56.890 56.287 0.081 0.000 0.961 47 K CB -0.116 32.446 32.500 0.104 0.000 0.741 47 K HN 0.014 nan 8.250 nan 0.000 0.452 48 F N 3.884 123.858 119.950 0.040 0.000 2.043 48 F HA -0.197 4.325 4.527 -0.009 0.000 0.297 48 F C -1.143 174.497 175.800 -0.266 0.000 1.121 48 F CA 1.450 59.358 58.000 -0.153 0.000 1.199 48 F CB -1.159 37.620 39.000 -0.368 0.000 0.968 48 F HN -0.029 nan 8.300 nan 0.000 0.478 49 P HA -0.251 nan 4.420 nan 0.000 0.217 49 P C 1.248 178.352 177.300 -0.327 0.000 1.151 49 P CA 2.211 65.077 63.100 -0.389 0.000 0.849 49 P CB -0.306 31.369 31.700 -0.042 0.000 0.787 50 Q N -0.217 119.461 119.800 -0.204 0.000 2.046 50 Q HA -0.093 4.241 4.340 -0.009 0.000 0.200 50 Q C 2.406 178.299 176.000 -0.178 0.000 0.975 50 Q CA 2.029 57.745 55.803 -0.144 0.000 0.836 50 Q CB -0.690 28.005 28.738 -0.072 0.000 0.896 50 Q HN 0.266 nan 8.270 nan 0.000 0.428 51 V N -2.166 117.624 119.914 -0.206 0.000 2.407 51 V HA 0.005 4.120 4.120 -0.009 0.000 0.245 51 V C 2.218 178.110 176.094 -0.336 0.000 1.041 51 V CA 1.371 63.544 62.300 -0.211 0.000 1.040 51 V CB -1.215 30.526 31.823 -0.136 0.000 0.671 51 V HN 0.254 nan 8.190 nan 0.000 0.455 52 A N 1.013 123.478 122.820 -0.592 0.000 1.986 52 A HA -0.052 4.262 4.320 -0.009 0.000 0.220 52 A C 2.433 179.774 177.584 -0.405 0.000 1.171 52 A CA 2.543 54.178 52.037 -0.670 0.000 0.640 52 A CB -1.084 17.128 19.000 -1.314 0.000 0.811 52 A HN 1.050 nan 8.150 nan 0.000 0.451 53 A N -0.568 122.052 122.820 -0.334 0.000 2.067 53 A HA 0.007 4.322 4.320 -0.009 0.000 0.219 53 A C 2.079 179.568 177.584 -0.159 0.000 1.158 53 A CA 1.983 53.893 52.037 -0.212 0.000 0.661 53 A CB -0.932 17.965 19.000 -0.171 0.000 0.801 53 A HN 0.830 nan 8.150 nan 0.000 0.452 54 T N -5.004 109.452 114.554 -0.162 0.000 3.206 54 T HA 0.441 4.786 4.350 -0.009 0.000 0.253 54 T C 1.283 175.914 174.700 -0.115 0.000 1.042 54 T CA 0.944 62.973 62.100 -0.118 0.000 0.931 54 T CB 0.092 68.899 68.868 -0.101 0.000 1.029 54 T HN 1.566 nan 8.240 nan 0.000 0.564 55 G N 1.066 109.783 108.800 -0.138 0.000 2.253 55 G HA2 -0.227 3.728 3.960 -0.009 0.000 0.251 55 G HA3 -0.227 3.728 3.960 -0.009 0.000 0.251 55 G C -0.116 174.701 174.900 -0.138 0.000 0.998 55 G CA 0.158 45.184 45.100 -0.122 0.000 0.621 55 G HN 0.595 nan 8.290 nan 0.000 0.524 56 D N 0.473 120.778 120.400 -0.158 0.000 2.511 56 D HA 0.624 5.259 4.640 -0.009 0.000 0.276 56 D C 0.995 177.147 176.300 -0.248 0.000 1.220 56 D CA 1.164 55.068 54.000 -0.160 0.000 1.077 56 D CB 0.652 41.382 40.800 -0.117 0.000 1.126 56 D HN 1.479 nan 8.370 nan 0.000 0.583 57 G N -0.469 108.173 108.800 -0.263 0.000 2.479 57 G HA2 0.037 3.991 3.960 -0.009 0.000 0.686 57 G HA3 0.037 3.991 3.960 -0.009 0.000 0.686 57 G C -2.929 171.695 174.900 -0.461 0.000 1.295 57 G CA -0.969 43.861 45.100 -0.450 0.000 0.922 57 G HN 0.414 nan 8.290 nan 0.000 0.582 58 P HA 0.334 nan 4.420 nan 0.000 0.274 58 P C 0.101 177.223 177.300 -0.296 0.000 1.246 58 P CA -0.251 62.480 63.100 -0.615 0.000 0.795 58 P CB 0.936 31.958 31.700 -1.129 0.000 1.006 59 D N -0.035 120.248 120.400 -0.196 0.000 2.103 59 D HA 0.023 4.658 4.640 -0.009 0.000 0.199 59 D C 0.712 176.943 176.300 -0.115 0.000 0.978 59 D CA 1.475 55.401 54.000 -0.123 0.000 0.829 59 D CB 0.232 40.969 40.800 -0.105 0.000 0.981 59 D HN 0.346 nan 8.370 nan 0.000 0.464 60 I N 1.015 121.507 120.570 -0.129 0.000 2.465 60 I HA 0.336 4.501 4.170 -0.009 0.000 0.291 60 I C -0.490 175.549 176.117 -0.130 0.000 1.014 60 I CA -0.736 60.488 61.300 -0.126 0.000 1.093 60 I CB 3.119 41.071 38.000 -0.081 0.000 1.267 60 I HN -0.173 nan 8.210 nan 0.000 0.431 61 I N 5.502 125.927 120.570 -0.242 0.000 2.406 61 I HA 0.474 4.639 4.170 -0.009 0.000 0.290 61 I C -1.442 174.659 176.117 -0.026 0.000 0.999 61 I CA -0.438 60.744 61.300 -0.197 0.000 1.124 61 I CB 1.305 38.822 38.000 -0.806 0.000 1.289 61 I HN 0.350 nan 8.210 nan 0.000 0.441 62 F N 7.807 127.889 119.950 0.221 0.000 2.421 62 F HA 0.577 5.099 4.527 -0.009 0.000 0.337 62 F C -0.293 175.789 175.800 0.469 0.000 1.105 62 F CA 0.088 58.279 58.000 0.317 0.000 1.049 62 F CB 1.346 40.468 39.000 0.205 0.000 1.139 62 F HN 0.471 nan 8.300 nan 0.000 0.479 63 W N 1.372 122.936 121.300 0.441 0.000 3.002 63 W HA 0.517 5.171 4.660 -0.010 0.000 0.346 63 W C -1.383 175.343 176.519 0.344 0.000 1.158 63 W CA -1.246 56.281 57.345 0.303 0.000 1.150 63 W CB 1.006 30.577 29.460 0.184 0.000 1.446 63 W HN 0.687 nan 8.180 nan 0.000 0.564 64 A N 2.268 125.031 122.820 -0.094 0.000 2.492 64 A HA 0.030 4.345 4.320 -0.009 0.000 0.236 64 A C 1.373 179.202 177.584 0.408 0.000 1.078 64 A CA 1.076 53.171 52.037 0.098 0.000 0.773 64 A CB -0.183 18.737 19.000 -0.132 0.000 1.023 64 A HN 0.785 nan 8.150 nan 0.000 0.504 65 H N 0.953 120.152 119.070 0.215 0.000 2.521 65 H HA -0.126 4.425 4.556 -0.009 0.000 0.286 65 H C 0.927 176.419 175.328 0.273 0.000 1.034 65 H CA 1.322 57.478 56.048 0.181 0.000 1.278 65 H CB -0.371 29.396 29.762 0.009 0.000 1.386 65 H HN 0.810 nan 8.280 nan 0.000 0.567 66 D N 1.281 121.513 120.400 -0.279 0.000 2.263 66 D HA -0.161 4.474 4.640 -0.009 0.000 0.208 66 D C 1.848 178.104 176.300 -0.074 0.000 0.971 66 D CA 0.419 54.297 54.000 -0.203 0.000 0.867 66 D CB -0.216 40.515 40.800 -0.116 0.000 0.929 66 D HN 0.245 nan 8.370 nan 0.000 0.492 67 R N -0.501 119.970 120.500 -0.048 0.000 2.161 67 R HA 0.081 4.415 4.340 -0.009 0.000 0.213 67 R C 2.080 177.848 176.300 -0.887 0.000 1.055 67 R CA 0.135 55.935 56.100 -0.500 0.000 0.996 67 R CB -0.666 29.238 30.300 -0.659 0.000 0.901 67 R HN 0.263 nan 8.270 nan 0.000 0.456 68 F N 0.346 120.037 119.950 -0.432 0.000 2.365 68 F HA 0.002 4.524 4.527 -0.009 0.000 0.300 68 F C 2.400 178.029 175.800 -0.284 0.000 1.090 68 F CA 1.149 59.007 58.000 -0.237 0.000 1.408 68 F CB -0.690 38.326 39.000 0.026 0.000 1.060 68 F HN 0.120 nan 8.300 nan 0.000 0.534 69 G N -0.129 108.544 108.800 -0.212 0.000 2.402 69 G HA2 -0.135 3.820 3.960 -0.009 0.000 0.216 69 G HA3 -0.135 3.820 3.960 -0.009 0.000 0.216 69 G C 2.066 176.589 174.900 -0.628 0.000 1.162 69 G CA 0.776 45.535 45.100 -0.567 0.000 0.777 69 G HN 0.474 nan 8.290 nan 0.000 0.539 70 G N 0.014 108.554 108.800 -0.434 0.000 2.418 70 G HA2 -0.171 3.783 3.960 -0.009 0.000 0.217 70 G HA3 -0.171 3.783 3.960 -0.009 0.000 0.217 70 G C 1.612 176.418 174.900 -0.156 0.000 1.158 70 G CA 1.004 45.919 45.100 -0.308 0.000 0.771 70 G HN 0.362 nan 8.290 nan 0.000 0.545 71 Y N 1.409 121.628 120.300 -0.135 0.000 2.128 71 Y HA -0.018 4.526 4.550 -0.009 0.000 0.284 71 Y C 3.161 179.033 175.900 -0.046 0.000 1.154 71 Y CA 0.267 58.333 58.100 -0.057 0.000 1.149 71 Y CB -1.229 37.225 38.460 -0.011 0.000 0.976 71 Y HN 0.266 nan 8.280 nan 0.000 0.505 72 A N -0.067 122.800 122.820 0.079 0.000 1.902 72 A HA -0.288 4.027 4.320 -0.009 0.000 0.217 72 A C 2.298 179.898 177.584 0.026 0.000 1.181 72 A CA 1.863 53.930 52.037 0.049 0.000 0.623 72 A CB -0.966 18.044 19.000 0.017 0.000 0.818 72 A HN 0.561 nan 8.150 nan 0.000 0.443 73 Q N -0.271 119.484 119.800 -0.074 0.000 2.170 73 Q HA -0.127 4.208 4.340 -0.009 0.000 0.203 73 Q C 1.542 177.556 176.000 0.025 0.000 0.976 73 Q CA 1.757 57.571 55.803 0.018 0.000 0.858 73 Q CB -0.158 28.569 28.738 -0.019 0.000 0.907 73 Q HN 0.524 nan 8.270 nan 0.000 0.433 74 S N -0.662 115.046 115.700 0.012 0.000 2.603 74 S HA 0.172 4.637 4.470 -0.009 0.000 0.220 74 S C 0.762 175.362 174.600 0.000 0.000 0.967 74 S CA 0.509 58.712 58.200 0.004 0.000 0.920 74 S CB 0.363 63.563 63.200 0.001 0.000 0.773 74 S HN 0.717 nan 8.310 nan 0.000 0.529 75 G N 1.502 110.317 108.800 0.024 0.000 2.246 75 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.273 75 G HA3 -0.236 3.719 3.960 -0.009 0.000 0.273 75 G C 0.391 175.291 174.900 0.001 0.000 1.055 75 G CA 0.334 45.447 45.100 0.020 0.000 0.851 75 G HN 0.540 nan 8.290 nan 0.000 0.500 76 L N -1.410 119.823 121.223 0.017 0.000 2.616 76 L HA 0.434 4.769 4.340 -0.009 0.000 0.229 76 L C 1.154 178.064 176.870 0.066 0.000 1.110 76 L CA 0.095 54.916 54.840 -0.031 0.000 0.884 76 L CB 0.196 42.176 42.059 -0.130 0.000 1.115 76 L HN 0.205 nan 8.230 nan 0.000 0.481 77 L N 0.434 121.724 121.223 0.111 0.000 2.322 77 L HA 0.630 4.965 4.340 -0.009 0.000 0.281 77 L C 0.219 177.147 176.870 0.097 0.000 1.014 77 L CA -0.588 54.337 54.840 0.141 0.000 0.815 77 L CB 1.909 44.090 42.059 0.203 0.000 1.247 77 L HN -0.064 nan 8.230 nan 0.000 0.421 78 A N 2.590 125.461 122.820 0.085 0.000 2.388 78 A HA 0.240 4.554 4.320 -0.009 0.000 0.257 78 A C -0.020 177.607 177.584 0.071 0.000 1.095 78 A CA -0.296 51.780 52.037 0.065 0.000 0.791 78 A CB 0.446 19.479 19.000 0.055 0.000 1.029 78 A HN 0.777 nan 8.150 nan 0.000 0.489 79 E N 1.488 121.721 120.200 0.054 0.000 2.360 79 E HA 0.340 4.685 4.350 -0.009 0.000 0.269 79 E C -0.283 176.332 176.600 0.026 0.000 1.022 79 E CA -0.315 56.110 56.400 0.041 0.000 0.887 79 E CB 0.383 30.102 29.700 0.032 0.000 0.990 79 E HN 0.581 nan 8.360 nan 0.000 0.426 80 I N 1.422 121.986 120.570 -0.010 0.000 2.440 80 I HA 0.364 4.529 4.170 -0.009 0.000 0.294 80 I C -0.030 176.052 176.117 -0.058 0.000 0.995 80 I CA -0.581 60.691 61.300 -0.047 0.000 1.306 80 I CB 1.672 39.517 38.000 -0.258 0.000 1.407 80 I HN 0.390 nan 8.210 nan 0.000 0.501 81 T N 2.068 116.612 114.554 -0.016 0.000 3.504 81 T HA 0.504 4.849 4.350 -0.009 0.000 0.286 81 T C -2.512 172.182 174.700 -0.009 0.000 1.530 81 T CA -1.371 60.714 62.100 -0.024 0.000 1.652 81 T CB -0.113 68.753 68.868 -0.003 0.000 0.895 81 T HN 0.488 nan 8.240 nan 0.000 0.674 82 P HA 0.322 nan 4.420 nan 0.000 0.275 82 P C -0.078 177.234 177.300 0.020 0.000 1.227 82 P CA -0.272 62.852 63.100 0.039 0.000 0.781 82 P CB 0.649 32.459 31.700 0.183 0.000 0.906 83 D N 1.256 121.697 120.400 0.068 0.000 2.371 83 D HA 0.037 4.672 4.640 -0.009 0.000 0.242 83 D C 1.062 177.393 176.300 0.051 0.000 1.218 83 D CA -0.391 53.638 54.000 0.048 0.000 0.945 83 D CB 0.580 41.417 40.800 0.062 0.000 1.137 83 D HN 0.033 nan 8.370 nan 0.000 0.464 84 K N 0.416 120.824 120.400 0.012 0.000 2.152 84 K HA -0.115 4.200 4.320 -0.009 0.000 0.206 84 K C 1.800 178.420 176.600 0.034 0.000 1.048 84 K CA 1.718 58.000 56.287 -0.008 0.000 0.933 84 K CB -0.826 31.664 32.500 -0.015 0.000 0.721 84 K HN 0.496 nan 8.250 nan 0.000 0.447 85 A N 0.003 122.867 122.820 0.073 0.000 1.845 85 A HA -0.144 4.171 4.320 -0.009 0.000 0.215 85 A C 2.208 179.875 177.584 0.138 0.000 1.195 85 A CA 1.653 53.744 52.037 0.091 0.000 0.616 85 A CB -1.080 17.980 19.000 0.100 0.000 0.832 85 A HN 0.459 nan 8.150 nan 0.000 0.443 86 F N 0.774 120.769 119.950 0.075 0.000 2.216 86 F HA -0.207 4.315 4.527 -0.009 0.000 0.300 86 F C 2.493 178.424 175.800 0.219 0.000 1.085 86 F CA 2.138 60.224 58.000 0.143 0.000 1.326 86 F CB -0.258 38.851 39.000 0.182 0.000 1.027 86 F HN 0.337 nan 8.300 nan 0.000 0.497 87 Q N -0.228 119.709 119.800 0.229 0.000 2.170 87 Q HA -0.212 4.123 4.340 -0.009 0.000 0.203 87 Q C 1.538 177.627 176.000 0.148 0.000 0.976 87 Q CA 1.617 57.494 55.803 0.123 0.000 0.858 87 Q CB -0.273 28.317 28.738 -0.248 0.000 0.907 87 Q HN 0.402 nan 8.270 nan 0.000 0.433 88 D N 0.473 120.898 120.400 0.041 0.000 2.264 88 D HA -0.092 4.543 4.640 -0.009 0.000 0.208 88 D C 1.234 177.509 176.300 -0.042 0.000 0.966 88 D CA 0.962 54.967 54.000 0.008 0.000 0.864 88 D CB 0.054 40.848 40.800 -0.009 0.000 0.933 88 D HN 0.188 nan 8.370 nan 0.000 0.499 89 K N -0.323 120.020 120.400 -0.094 0.000 2.288 89 K HA 0.067 4.382 4.320 -0.009 0.000 0.201 89 K C 0.538 177.027 176.600 -0.184 0.000 1.048 89 K CA 0.471 56.651 56.287 -0.178 0.000 0.956 89 K CB 0.378 32.700 32.500 -0.297 0.000 0.746 89 K HN 0.147 nan 8.250 nan 0.000 0.461 90 L N 0.661 121.843 121.223 -0.069 0.000 2.331 90 L HA 0.329 4.663 4.340 -0.009 0.000 0.275 90 L C -0.227 176.659 176.870 0.027 0.000 1.022 90 L CA -1.309 53.488 54.840 -0.071 0.000 0.812 90 L CB 0.636 42.549 42.059 -0.244 0.000 1.257 90 L HN -0.078 nan 8.230 nan 0.000 0.435 91 Y N 1.983 122.299 120.300 0.028 0.000 2.597 91 Y HA 0.024 4.569 4.550 -0.009 0.000 0.336 91 Y C -1.353 174.666 175.900 0.198 0.000 1.216 91 Y CA -0.826 57.339 58.100 0.109 0.000 1.463 91 Y CB 0.205 38.724 38.460 0.099 0.000 1.303 91 Y HN 0.449 nan 8.280 nan 0.000 0.576 92 P HA -0.202 nan 4.420 nan 0.000 0.220 92 P C 1.476 178.970 177.300 0.324 0.000 1.148 92 P CA 1.258 64.582 63.100 0.374 0.000 0.803 92 P CB -0.026 31.830 31.700 0.261 0.000 0.782 93 F N 1.065 121.118 119.950 0.173 0.000 2.186 93 F HA -0.180 4.342 4.527 -0.009 0.000 0.299 93 F C 2.032 177.853 175.800 0.036 0.000 1.090 93 F CA 2.027 60.077 58.000 0.084 0.000 1.307 93 F CB -0.924 38.098 39.000 0.036 0.000 1.019 93 F HN -0.053 nan 8.300 nan 0.000 0.489 94 T N -3.182 111.405 114.554 0.056 0.000 2.942 94 T HA -0.196 4.149 4.350 -0.009 0.000 0.265 94 T C 1.791 176.353 174.700 -0.231 0.000 1.062 94 T CA 1.082 63.085 62.100 -0.161 0.000 1.139 94 T CB -1.147 67.649 68.868 -0.119 0.000 0.883 94 T HN 0.531 nan 8.240 nan 0.000 0.468 95 W N 1.973 123.248 121.300 -0.042 0.000 2.388 95 W HA 0.063 4.718 4.660 -0.008 0.000 0.294 95 W C 2.100 178.560 176.519 -0.099 0.000 1.212 95 W CA 0.316 57.630 57.345 -0.052 0.000 1.271 95 W CB -0.107 29.347 29.460 -0.009 0.000 1.126 95 W HN 0.197 nan 8.180 nan 0.000 0.535 96 D N 0.174 120.628 120.400 0.090 0.000 2.149 96 D HA -0.193 4.442 4.640 -0.009 0.000 0.198 96 D C 2.192 178.433 176.300 -0.099 0.000 0.990 96 D CA 1.839 55.829 54.000 -0.016 0.000 0.839 96 D CB -0.918 39.831 40.800 -0.085 0.000 0.948 96 D HN 0.115 nan 8.370 nan 0.000 0.460 97 A N 0.558 123.208 122.820 -0.284 0.000 1.940 97 A HA -0.129 4.186 4.320 -0.009 0.000 0.219 97 A C 1.964 179.488 177.584 -0.101 0.000 1.176 97 A CA 1.641 53.450 52.037 -0.379 0.000 0.631 97 A CB -0.440 18.099 19.000 -0.769 0.000 0.814 97 A HN 0.252 nan 8.150 nan 0.000 0.446 98 V N -2.542 117.341 119.914 -0.051 0.000 3.110 98 V HA 0.436 4.550 4.120 -0.009 0.000 0.368 98 V C 0.251 176.407 176.094 0.103 0.000 1.332 98 V CA -0.255 62.053 62.300 0.013 0.000 1.287 98 V CB -1.027 30.756 31.823 -0.067 0.000 1.277 98 V HN 0.424 nan 8.190 nan 0.000 0.502 99 R N 0.742 121.316 120.500 0.124 0.000 2.437 99 R HA 0.530 4.865 4.340 -0.009 0.000 0.310 99 R C -2.010 174.413 176.300 0.204 0.000 0.955 99 R CA -0.754 55.431 56.100 0.142 0.000 0.851 99 R CB 1.743 32.102 30.300 0.099 0.000 1.161 99 R HN 0.477 nan 8.270 nan 0.000 0.446 100 Y N 5.137 125.475 120.300 0.064 0.000 2.346 100 Y HA 0.238 4.783 4.550 -0.009 0.000 0.332 100 Y C -0.681 175.251 175.900 0.053 0.000 0.985 100 Y CA -0.792 57.349 58.100 0.067 0.000 1.112 100 Y CB 1.299 39.805 38.460 0.076 0.000 1.170 100 Y HN 0.882 nan 8.280 nan 0.000 0.447 101 N N 4.025 122.458 118.700 -0.445 0.000 2.727 101 N HA -0.184 4.550 4.740 -0.009 0.000 0.249 101 N C 0.664 176.107 175.510 -0.111 0.000 1.048 101 N CA 1.704 54.559 53.050 -0.325 0.000 0.714 101 N CB -1.271 36.979 38.487 -0.396 0.000 0.959 101 N HN 1.411 nan 8.380 nan 0.000 0.544 102 G N -1.352 107.413 108.800 -0.057 0.000 2.198 102 G HA2 -0.336 3.619 3.960 -0.009 0.000 0.257 102 G HA3 -0.336 3.619 3.960 -0.009 0.000 0.257 102 G C -0.151 174.747 174.900 -0.002 0.000 1.042 102 G CA 0.837 45.924 45.100 -0.022 0.000 0.791 102 G HN 0.604 nan 8.290 nan 0.000 0.502 103 K N -0.941 119.476 120.400 0.028 0.000 2.508 103 K HA 0.644 4.959 4.320 -0.009 0.000 0.260 103 K C -0.210 176.426 176.600 0.060 0.000 0.949 103 K CA -1.045 55.265 56.287 0.038 0.000 0.834 103 K CB 1.988 34.523 32.500 0.060 0.000 1.365 103 K HN 0.064 nan 8.250 nan 0.000 0.437 104 L N 4.125 125.364 121.223 0.026 0.000 2.265 104 L HA 0.372 4.707 4.340 -0.009 0.000 0.288 104 L C 1.077 177.969 176.870 0.038 0.000 1.058 104 L CA -0.200 54.661 54.840 0.035 0.000 0.809 104 L CB 0.558 42.598 42.059 -0.032 0.000 1.179 104 L HN 0.722 nan 8.230 nan 0.000 0.429 105 I N -0.274 120.335 120.570 0.066 0.000 4.181 105 I HA 0.554 4.719 4.170 -0.009 0.000 0.331 105 I C 0.540 176.685 176.117 0.048 0.000 1.312 105 I CA -0.065 61.287 61.300 0.087 0.000 1.146 105 I CB 0.601 38.698 38.000 0.162 0.000 1.074 105 I HN 0.513 nan 8.210 nan 0.000 0.402 106 A N 0.231 123.019 122.820 -0.053 0.000 2.601 106 A HA 0.675 4.990 4.320 -0.009 0.000 0.291 106 A C -2.104 175.369 177.584 -0.185 0.000 1.075 106 A CA -0.421 51.533 52.037 -0.138 0.000 0.671 106 A CB 0.582 19.355 19.000 -0.379 0.000 1.277 106 A HN 0.153 nan 8.150 nan 0.000 0.417 107 Y N 0.846 121.087 120.300 -0.099 0.000 2.367 107 Y HA 0.438 4.982 4.550 -0.009 0.000 0.342 107 Y C -2.185 173.571 175.900 -0.240 0.000 0.979 107 Y CA -1.912 56.124 58.100 -0.107 0.000 1.161 107 Y CB 0.907 39.364 38.460 -0.005 0.000 1.155 107 Y HN 0.365 nan 8.280 nan 0.000 0.503 108 P HA 0.021 nan 4.420 nan 0.000 0.268 108 P C 0.037 177.272 177.300 -0.109 0.000 1.204 108 P CA 0.337 63.282 63.100 -0.258 0.000 0.768 108 P CB 1.021 32.441 31.700 -0.465 0.000 0.842 109 I N 1.177 121.744 120.570 -0.004 0.000 3.345 109 I HA 0.364 4.529 4.170 -0.009 0.000 0.258 109 I C 0.909 177.072 176.117 0.077 0.000 1.134 109 I CA 0.462 61.811 61.300 0.082 0.000 1.457 109 I CB -0.893 37.227 38.000 0.200 0.000 1.425 109 I HN 0.292 nan 8.210 nan 0.000 0.461 110 A N 0.488 123.357 122.820 0.082 0.000 2.609 110 A HA 0.682 4.997 4.320 -0.009 0.000 0.291 110 A C -1.359 176.284 177.584 0.098 0.000 1.096 110 A CA -0.361 51.730 52.037 0.091 0.000 0.684 110 A CB 1.691 20.751 19.000 0.099 0.000 1.282 110 A HN -0.152 nan 8.150 nan 0.000 0.412 111 V N 1.829 121.804 119.914 0.101 0.000 2.350 111 V HA 0.373 4.488 4.120 -0.009 0.000 0.276 111 V C -0.108 176.064 176.094 0.129 0.000 1.028 111 V CA -0.228 62.151 62.300 0.131 0.000 0.860 111 V CB 0.892 32.783 31.823 0.114 0.000 0.990 111 V HN 0.901 nan 8.190 nan 0.000 0.453 112 E N 3.087 123.397 120.200 0.182 0.000 2.222 112 E HA 0.857 5.202 4.350 -0.009 0.000 0.272 112 E C -0.358 176.373 176.600 0.219 0.000 0.982 112 E CA -0.637 55.886 56.400 0.206 0.000 0.842 112 E CB 2.220 32.111 29.700 0.318 0.000 1.144 112 E HN 0.830 nan 8.360 nan 0.000 0.397 113 A N 2.151 125.061 122.820 0.149 0.000 2.594 113 A HA 0.404 4.719 4.320 -0.009 0.000 0.296 113 A C -1.363 176.237 177.584 0.026 0.000 1.061 113 A CA -0.759 51.355 52.037 0.128 0.000 0.689 113 A CB 0.830 19.888 19.000 0.097 0.000 1.280 113 A HN 0.523 nan 8.150 nan 0.000 0.406 114 L N 1.973 123.192 121.223 -0.007 0.000 2.367 114 L HA 0.437 4.771 4.340 -0.009 0.000 0.275 114 L C 0.379 177.229 176.870 -0.034 0.000 1.129 114 L CA 0.089 54.887 54.840 -0.071 0.000 0.839 114 L CB 1.276 43.246 42.059 -0.148 0.000 1.133 114 L HN 0.739 nan 8.230 nan 0.000 0.453 115 S N 2.933 118.621 115.700 -0.021 0.000 2.638 115 S HA 0.544 5.008 4.470 -0.009 0.000 0.302 115 S C -0.798 173.797 174.600 -0.009 0.000 1.096 115 S CA -0.653 57.558 58.200 0.018 0.000 0.953 115 S CB 2.119 65.383 63.200 0.106 0.000 1.107 115 S HN 0.378 nan 8.310 nan 0.000 0.503 116 L N 2.733 123.946 121.223 -0.018 0.000 2.281 116 L HA 0.531 4.866 4.340 -0.009 0.000 0.285 116 L C -1.181 175.717 176.870 0.047 0.000 1.074 116 L CA 0.195 55.009 54.840 -0.042 0.000 0.817 116 L CB -0.303 41.699 42.059 -0.095 0.000 1.168 116 L HN 0.528 nan 8.230 nan 0.000 0.434 117 I N 6.730 127.293 120.570 -0.012 0.000 2.354 117 I HA 0.327 4.492 4.170 -0.009 0.000 0.292 117 I C -0.916 175.295 176.117 0.158 0.000 0.989 117 I CA -0.843 60.453 61.300 -0.007 0.000 1.188 117 I CB 1.006 38.815 38.000 -0.317 0.000 1.342 117 I HN 0.629 nan 8.210 nan 0.000 0.457 118 Y N 4.134 124.582 120.300 0.246 0.000 2.536 118 Y HA 0.595 5.140 4.550 -0.010 0.000 0.347 118 Y C -0.823 175.338 175.900 0.435 0.000 1.000 118 Y CA -1.658 56.662 58.100 0.367 0.000 1.051 118 Y CB 1.008 39.550 38.460 0.137 0.000 1.259 118 Y HN 0.504 nan 8.280 nan 0.000 0.468 119 N N 2.663 121.499 118.700 0.227 0.000 2.437 119 N HA 0.190 4.925 4.740 -0.009 0.000 0.259 119 N C -0.015 175.504 175.510 0.016 0.000 0.983 119 N CA -0.540 52.472 53.050 -0.064 0.000 0.937 119 N CB 1.569 39.837 38.487 -0.364 0.000 1.122 119 N HN 0.947 nan 8.380 nan 0.000 0.499 120 K N 2.575 122.954 120.400 -0.036 0.000 2.323 120 K HA 0.048 4.363 4.320 -0.009 0.000 0.197 120 K C 0.026 176.654 176.600 0.047 0.000 1.043 120 K CA 0.372 56.713 56.287 0.091 0.000 0.997 120 K CB 0.333 32.857 32.500 0.041 0.000 0.807 120 K HN 0.507 nan 8.250 nan 0.000 0.497 121 D N 1.295 121.690 120.400 -0.007 0.000 2.182 121 D HA -0.194 4.440 4.640 -0.009 0.000 0.201 121 D C 1.796 178.094 176.300 -0.004 0.000 0.986 121 D CA 1.058 55.050 54.000 -0.012 0.000 0.847 121 D CB 0.054 40.835 40.800 -0.033 0.000 0.942 121 D HN 0.282 nan 8.370 nan 0.000 0.467 122 L N -0.797 120.424 121.223 -0.003 0.000 2.202 122 L HA 0.072 4.407 4.340 -0.009 0.000 0.205 122 L C 0.576 177.469 176.870 0.037 0.000 1.083 122 L CA 0.262 55.104 54.840 0.004 0.000 0.790 122 L CB 0.411 42.458 42.059 -0.020 0.000 0.942 122 L HN -0.022 nan 8.230 nan 0.000 0.452 123 L N -0.214 121.061 121.223 0.087 0.000 2.514 123 L HA 0.375 4.710 4.340 -0.009 0.000 0.257 123 L C -2.180 174.785 176.870 0.159 0.000 1.101 123 L CA -1.504 53.398 54.840 0.104 0.000 0.911 123 L CB 1.015 43.144 42.059 0.116 0.000 1.162 123 L HN -0.243 nan 8.230 nan 0.000 0.477 124 P HA -0.060 nan 4.420 nan 0.000 0.216 124 P C -0.440 176.878 177.300 0.030 0.000 1.150 124 P CA 1.271 64.429 63.100 0.097 0.000 0.837 124 P CB 0.183 31.905 31.700 0.038 0.000 0.786 125 N N -0.613 118.056 118.700 -0.052 0.000 2.511 125 N HA 0.268 5.003 4.740 -0.009 0.000 0.249 125 N C -2.741 172.631 175.510 -0.231 0.000 0.971 125 N CA -1.862 51.099 53.050 -0.148 0.000 0.938 125 N CB 0.393 38.823 38.487 -0.094 0.000 1.131 125 N HN -0.014 nan 8.380 nan 0.000 0.505 126 P HA 0.176 nan 4.420 nan 0.000 0.271 126 P C -2.438 174.703 177.300 -0.265 0.000 1.216 126 P CA -0.992 61.841 63.100 -0.446 0.000 0.771 126 P CB -0.013 31.225 31.700 -0.770 0.000 0.864 127 P HA 0.012 nan 4.420 nan 0.000 0.265 127 P C 0.285 177.482 177.300 -0.172 0.000 1.193 127 P CA 0.131 63.138 63.100 -0.154 0.000 0.765 127 P CB 0.795 32.412 31.700 -0.138 0.000 0.823 128 K N 0.604 120.927 120.400 -0.128 0.000 2.361 128 K HA 0.074 4.389 4.320 -0.009 0.000 0.196 128 K C 1.086 177.629 176.600 -0.095 0.000 1.039 128 K CA 0.847 57.066 56.287 -0.114 0.000 1.001 128 K CB -0.099 32.350 32.500 -0.085 0.000 0.795 128 K HN 0.652 nan 8.250 nan 0.000 0.495 129 T N -4.331 110.175 114.554 -0.080 0.000 2.907 129 T HA 0.296 4.641 4.350 -0.009 0.000 0.292 129 T C 0.529 175.226 174.700 -0.005 0.000 1.043 129 T CA -0.889 61.197 62.100 -0.024 0.000 1.003 129 T CB 1.083 69.951 68.868 -0.000 0.000 1.084 129 T HN 0.086 nan 8.240 nan 0.000 0.483 130 W N 0.861 122.139 121.300 -0.037 0.000 2.358 130 W HA 0.047 4.701 4.660 -0.011 0.000 0.303 130 W C 2.180 178.799 176.519 0.166 0.000 1.208 130 W CA 1.235 58.587 57.345 0.012 0.000 1.274 130 W CB -0.282 29.052 29.460 -0.210 0.000 1.138 130 W HN 0.830 nan 8.180 nan 0.000 0.515 131 E N 0.163 120.551 120.200 0.314 0.000 2.209 131 E HA -0.217 4.128 4.350 -0.009 0.000 0.196 131 E C 1.604 178.345 176.600 0.234 0.000 0.993 131 E CA 1.529 58.140 56.400 0.352 0.000 0.819 131 E CB -0.365 29.441 29.700 0.176 0.000 0.745 131 E HN 0.398 nan 8.360 nan 0.000 0.477 132 E N -0.087 120.195 120.200 0.136 0.000 2.274 132 E HA -0.106 4.239 4.350 -0.009 0.000 0.194 132 E C 1.791 178.418 176.600 0.045 0.000 0.996 132 E CA 0.520 56.956 56.400 0.060 0.000 0.840 132 E CB -0.054 29.650 29.700 0.008 0.000 0.772 132 E HN 0.379 nan 8.360 nan 0.000 0.491 133 I N 1.026 121.649 120.570 0.088 0.000 2.286 133 I HA -0.144 4.021 4.170 -0.009 0.000 0.245 133 I C -0.783 175.272 176.117 -0.105 0.000 1.104 133 I CA 0.709 62.026 61.300 0.029 0.000 1.397 133 I CB -1.357 36.704 38.000 0.102 0.000 1.072 133 I HN 0.011 nan 8.210 nan 0.000 0.417 134 P HA -0.192 nan 4.420 nan 0.000 0.216 134 P C 1.414 178.517 177.300 -0.329 0.000 1.150 134 P CA 1.901 64.674 63.100 -0.546 0.000 0.843 134 P CB 0.019 31.606 31.700 -0.189 0.000 0.787 135 A N -0.890 121.873 122.820 -0.095 0.000 1.898 135 A HA -0.074 4.240 4.320 -0.009 0.000 0.214 135 A C 2.020 179.592 177.584 -0.021 0.000 1.183 135 A CA 0.892 52.915 52.037 -0.023 0.000 0.622 135 A CB -1.547 17.458 19.000 0.008 0.000 0.824 135 A HN 0.147 nan 8.150 nan 0.000 0.444 136 L N 0.261 121.465 121.223 -0.031 0.000 2.353 136 L HA -0.131 4.204 4.340 -0.009 0.000 0.220 136 L C 1.599 178.465 176.870 -0.006 0.000 1.133 136 L CA 2.340 57.172 54.840 -0.015 0.000 0.798 136 L CB -0.516 41.533 42.059 -0.016 0.000 0.922 136 L HN 0.473 nan 8.230 nan 0.000 0.445 137 D N -1.133 119.247 120.400 -0.033 0.000 2.120 137 D HA -0.143 4.491 4.640 -0.009 0.000 0.202 137 D C 2.010 178.357 176.300 0.077 0.000 0.972 137 D CA 0.867 54.881 54.000 0.023 0.000 0.837 137 D CB 0.168 40.969 40.800 0.003 0.000 0.989 137 D HN 0.043 nan 8.370 nan 0.000 0.469 138 K N 0.734 121.187 120.400 0.089 0.000 2.074 138 K HA -0.181 4.133 4.320 -0.009 0.000 0.209 138 K C 2.084 178.717 176.600 0.056 0.000 1.048 138 K CA 1.090 57.434 56.287 0.094 0.000 0.926 138 K CB -0.385 32.169 32.500 0.089 0.000 0.713 138 K HN 0.454 nan 8.250 nan 0.000 0.444 139 E N 0.425 120.648 120.200 0.039 0.000 2.077 139 E HA -0.120 4.224 4.350 -0.009 0.000 0.193 139 E C 2.159 178.776 176.600 0.027 0.000 0.989 139 E CA 0.857 57.273 56.400 0.027 0.000 0.800 139 E CB -0.064 29.647 29.700 0.018 0.000 0.746 139 E HN 0.216 nan 8.360 nan 0.000 0.452 140 L N 0.604 121.847 121.223 0.032 0.000 2.209 140 L HA -0.074 4.260 4.340 -0.009 0.000 0.207 140 L C 2.224 179.115 176.870 0.035 0.000 1.094 140 L CA 0.482 55.341 54.840 0.031 0.000 0.790 140 L CB -0.119 41.961 42.059 0.035 0.000 0.932 140 L HN -0.067 nan 8.230 nan 0.000 0.447 141 K N 0.570 120.999 120.400 0.049 0.000 2.209 141 K HA -0.076 4.239 4.320 -0.009 0.000 0.204 141 K C 2.080 178.699 176.600 0.032 0.000 1.048 141 K CA 1.272 57.587 56.287 0.047 0.000 0.940 141 K CB -0.362 32.177 32.500 0.064 0.000 0.729 141 K HN 0.263 nan 8.250 nan 0.000 0.451 142 A N 1.973 124.811 122.820 0.029 0.000 2.015 142 A HA -0.147 4.168 4.320 -0.009 0.000 0.219 142 A C 1.372 178.965 177.584 0.015 0.000 1.163 142 A CA 1.280 53.330 52.037 0.021 0.000 0.646 142 A CB -0.189 18.823 19.000 0.020 0.000 0.806 142 A HN 0.412 nan 8.150 nan 0.000 0.448 143 K N -1.762 118.647 120.400 0.015 0.000 2.861 143 K HA 0.446 4.761 4.320 -0.009 0.000 0.210 143 K C 0.536 177.141 176.600 0.008 0.000 1.112 143 K CA 0.070 56.363 56.287 0.009 0.000 1.076 143 K CB -0.293 32.211 32.500 0.006 0.000 0.853 143 K HN 0.629 nan 8.250 nan 0.000 0.463 144 G N 1.788 110.595 108.800 0.012 0.000 2.273 144 G HA2 -0.245 3.710 3.960 -0.009 0.000 0.280 144 G HA3 -0.245 3.710 3.960 -0.009 0.000 0.280 144 G C -0.481 174.426 174.900 0.011 0.000 1.047 144 G CA 0.243 45.350 45.100 0.011 0.000 0.869 144 G HN 0.315 nan 8.290 nan 0.000 0.502 145 K N -0.563 119.848 120.400 0.018 0.000 2.433 145 K HA 0.818 5.133 4.320 -0.009 0.000 0.252 145 K C 0.047 176.670 176.600 0.038 0.000 1.015 145 K CA -0.143 56.156 56.287 0.019 0.000 0.860 145 K CB 1.865 34.371 32.500 0.010 0.000 1.359 145 K HN 0.665 nan 8.250 nan 0.000 0.452 146 S N -1.407 114.321 115.700 0.047 0.000 2.542 146 S HA 0.643 5.108 4.470 -0.009 0.000 0.293 146 S C 0.625 175.275 174.600 0.084 0.000 1.089 146 S CA -0.370 57.874 58.200 0.074 0.000 0.961 146 S CB 1.940 65.190 63.200 0.083 0.000 1.062 146 S HN 0.578 nan 8.310 nan 0.000 0.483 147 A N 1.288 124.164 122.820 0.093 0.000 1.840 147 A HA 0.377 4.692 4.320 -0.009 0.000 0.214 147 A C 0.561 178.221 177.584 0.126 0.000 1.198 147 A CA 1.103 53.192 52.037 0.087 0.000 0.608 147 A CB -0.596 18.438 19.000 0.056 0.000 0.839 147 A HN 0.926 nan 8.150 nan 0.000 0.443 148 L N -1.212 120.106 121.223 0.159 0.000 2.431 148 L HA 0.740 5.075 4.340 -0.009 0.000 0.266 148 L C -1.120 175.907 176.870 0.262 0.000 0.978 148 L CA -0.244 54.727 54.840 0.219 0.000 0.822 148 L CB 1.821 44.014 42.059 0.224 0.000 1.310 148 L HN 0.379 nan 8.230 nan 0.000 0.409 149 M N 5.977 125.756 119.600 0.299 0.000 2.277 149 M HA 0.537 5.011 4.480 -0.009 0.000 0.282 149 M C -1.590 174.893 176.300 0.304 0.000 1.074 149 M CA -0.362 55.077 55.300 0.232 0.000 0.954 149 M CB 2.033 34.716 32.600 0.139 0.000 1.672 149 M HN 0.596 nan 8.290 nan 0.000 0.471 150 F N 0.256 120.226 119.950 0.034 0.000 2.745 150 F HA 0.592 5.115 4.527 -0.007 0.000 0.316 150 F C -0.763 174.977 175.800 -0.101 0.000 1.155 150 F CA -1.362 56.619 58.000 -0.031 0.000 0.937 150 F CB 0.760 39.806 39.000 0.076 0.000 1.361 150 F HN 0.431 nan 8.300 nan 0.000 0.472 151 N N 1.550 120.100 118.700 -0.250 0.000 2.416 151 N HA 0.165 4.900 4.740 -0.009 0.000 0.271 151 N C 0.122 175.457 175.510 -0.293 0.000 1.245 151 N CA 0.119 52.921 53.050 -0.414 0.000 0.940 151 N CB 0.256 38.265 38.487 -0.797 0.000 1.175 151 N HN 0.776 nan 8.380 nan 0.000 0.483 152 L N 2.098 123.149 121.223 -0.286 0.000 2.592 152 L HA 0.105 4.440 4.340 -0.009 0.000 0.227 152 L C 1.319 178.170 176.870 -0.032 0.000 1.127 152 L CA 0.148 54.880 54.840 -0.180 0.000 0.884 152 L CB 0.075 41.988 42.059 -0.244 0.000 1.065 152 L HN 0.440 nan 8.230 nan 0.000 0.457 153 Q N -0.197 119.587 119.800 -0.026 0.000 2.392 153 Q HA 0.166 4.501 4.340 -0.009 0.000 0.203 153 Q C 0.043 176.090 176.000 0.079 0.000 0.917 153 Q CA 0.531 56.342 55.803 0.014 0.000 0.939 153 Q CB 0.696 29.432 28.738 -0.005 0.000 1.063 153 Q HN 0.318 nan 8.270 nan 0.000 0.516 154 E N 1.108 121.410 120.200 0.170 0.000 2.218 154 E HA 0.191 4.535 4.350 -0.009 0.000 0.263 154 E C -1.907 174.947 176.600 0.424 0.000 0.879 154 E CA -1.964 54.607 56.400 0.286 0.000 0.762 154 E CB 2.239 32.178 29.700 0.398 0.000 1.166 154 E HN -0.154 nan 8.360 nan 0.000 0.415 155 P HA -0.197 nan 4.420 nan 0.000 0.221 155 P C 1.312 178.972 177.300 0.600 0.000 1.145 155 P CA 0.975 64.341 63.100 0.443 0.000 0.795 155 P CB 0.176 32.132 31.700 0.426 0.000 0.775 156 Y N 0.022 120.497 120.300 0.292 0.000 2.256 156 Y HA -0.187 4.358 4.550 -0.009 0.000 0.288 156 Y C 1.922 177.977 175.900 0.259 0.000 1.155 156 Y CA 1.609 59.824 58.100 0.191 0.000 1.203 156 Y CB -0.799 37.564 38.460 -0.161 0.000 0.980 156 Y HN -0.210 nan 8.280 nan 0.000 0.530 157 F N -1.293 118.910 119.950 0.421 0.000 2.387 157 F HA -0.025 4.498 4.527 -0.007 0.000 0.294 157 F C 2.516 178.562 175.800 0.411 0.000 1.093 157 F CA 1.377 59.616 58.000 0.399 0.000 1.420 157 F CB -0.753 38.587 39.000 0.566 0.000 1.086 157 F HN 0.040 nan 8.300 nan 0.000 0.531 158 T N -3.273 111.653 114.554 0.620 0.000 3.065 158 T HA -0.130 4.214 4.350 -0.009 0.000 0.252 158 T C 1.848 176.734 174.700 0.310 0.000 1.099 158 T CA -0.044 62.337 62.100 0.468 0.000 1.063 158 T CB -0.675 68.424 68.868 0.386 0.000 0.948 158 T HN 0.501 nan 8.240 nan 0.000 0.506 159 W N 2.848 124.266 121.300 0.198 0.000 2.358 159 W HA -0.042 4.612 4.660 -0.010 0.000 0.303 159 W C -1.724 174.803 176.519 0.013 0.000 1.208 159 W CA 0.926 58.356 57.345 0.142 0.000 1.274 159 W CB -1.083 28.563 29.460 0.311 0.000 1.138 159 W HN 0.274 nan 8.180 nan 0.000 0.515 160 P HA -0.238 nan 4.420 nan 0.000 0.217 160 P C 1.777 178.957 177.300 -0.200 0.000 1.151 160 P CA 1.780 64.828 63.100 -0.087 0.000 0.849 160 P CB -0.451 31.269 31.700 0.034 0.000 0.787 161 L N -0.970 120.106 121.223 -0.246 0.000 2.068 161 L HA -0.033 4.302 4.340 -0.009 0.000 0.204 161 L C 2.168 178.657 176.870 -0.634 0.000 1.076 161 L CA 1.604 56.107 54.840 -0.561 0.000 0.753 161 L CB -1.100 40.450 42.059 -0.849 0.000 0.910 161 L HN -0.149 nan 8.230 nan 0.000 0.439 162 I N -0.081 120.167 120.570 -0.536 0.000 2.361 162 I HA -0.223 3.942 4.170 -0.009 0.000 0.251 162 I C 2.248 177.958 176.117 -0.678 0.000 1.133 162 I CA 1.125 62.091 61.300 -0.557 0.000 1.413 162 I CB -0.575 37.159 38.000 -0.443 0.000 1.073 162 I HN 0.350 nan 8.210 nan 0.000 0.424 163 A N 0.354 122.650 122.820 -0.873 0.000 2.251 163 A HA 0.345 4.660 4.320 -0.009 0.000 0.209 163 A C 2.381 179.743 177.584 -0.371 0.000 1.187 163 A CA 0.841 52.405 52.037 -0.789 0.000 0.823 163 A CB -0.341 18.004 19.000 -1.093 0.000 0.846 163 A HN 0.357 nan 8.150 nan 0.000 0.486 164 A N 0.452 123.092 122.820 -0.300 0.000 1.841 164 A HA -0.175 4.140 4.320 -0.009 0.000 0.214 164 A C 1.825 179.398 177.584 -0.019 0.000 1.195 164 A CA 1.883 53.853 52.037 -0.111 0.000 0.611 164 A CB -0.537 18.439 19.000 -0.040 0.000 0.835 164 A HN 0.395 nan 8.150 nan 0.000 0.443 165 D N -1.588 118.831 120.400 0.031 0.000 2.371 165 D HA 0.189 4.824 4.640 -0.009 0.000 0.221 165 D C 0.979 177.290 176.300 0.018 0.000 0.986 165 D CA 1.328 55.373 54.000 0.074 0.000 0.899 165 D CB -0.026 40.876 40.800 0.170 0.000 0.902 165 D HN 0.586 nan 8.370 nan 0.000 0.530 166 G N -1.239 107.550 108.800 -0.018 0.000 2.332 166 G HA2 0.027 3.982 3.960 -0.009 0.000 0.216 166 G HA3 0.027 3.982 3.960 -0.009 0.000 0.216 166 G C 0.450 175.397 174.900 0.080 0.000 1.041 166 G CA -0.231 44.885 45.100 0.027 0.000 0.836 166 G HN 0.475 nan 8.290 nan 0.000 0.530 167 G N 0.328 109.082 108.800 -0.076 0.000 2.370 167 G HA2 0.725 4.680 3.960 -0.009 0.000 0.272 167 G HA3 0.725 4.680 3.960 -0.009 0.000 0.272 167 G C -0.365 174.537 174.900 0.003 0.000 1.208 167 G CA -0.075 44.931 45.100 -0.157 0.000 0.856 167 G HN 1.416 nan 8.290 nan 0.000 0.500 168 Y N -0.698 119.677 120.300 0.125 0.000 2.597 168 Y HA 0.721 5.266 4.550 -0.009 0.000 0.340 168 Y C 0.624 176.737 175.900 0.355 0.000 1.097 168 Y CA -0.899 57.395 58.100 0.324 0.000 1.037 168 Y CB 1.118 39.679 38.460 0.168 0.000 1.305 168 Y HN 0.602 nan 8.280 nan 0.000 0.463 169 A N 1.654 124.569 122.820 0.158 0.000 1.844 169 A HA 0.363 4.677 4.320 -0.009 0.000 0.212 169 A C -0.379 176.704 177.584 -0.835 0.000 1.221 169 A CA 1.094 52.682 52.037 -0.749 0.000 0.607 169 A CB -0.302 17.883 19.000 -1.357 0.000 0.878 169 A HN 0.576 nan 8.150 nan 0.000 0.451 170 F N -1.474 118.527 119.950 0.085 0.000 2.569 170 F HA 0.504 5.026 4.527 -0.008 0.000 0.312 170 F C -0.177 175.967 175.800 0.574 0.000 1.109 170 F CA -1.151 57.009 58.000 0.268 0.000 0.919 170 F CB 1.812 40.889 39.000 0.130 0.000 1.211 170 F HN -0.101 nan 8.300 nan 0.000 0.446 171 K N 2.454 123.283 120.400 0.715 0.000 2.363 171 K HA 0.082 4.396 4.320 -0.009 0.000 0.289 171 K C -1.325 175.463 176.600 0.314 0.000 1.063 171 K CA 0.089 56.626 56.287 0.417 0.000 0.967 171 K CB -0.275 32.401 32.500 0.294 0.000 0.987 171 K HN 0.536 nan 8.250 nan 0.000 0.473 172 Y N 3.596 123.934 120.300 0.062 0.000 2.486 172 Y HA 0.208 4.752 4.550 -0.009 0.000 0.348 172 Y C -0.496 175.324 175.900 -0.133 0.000 1.000 172 Y CA 0.047 58.012 58.100 -0.225 0.000 1.253 172 Y CB 0.414 38.609 38.460 -0.442 0.000 1.140 172 Y HN 0.678 nan 8.280 nan 0.000 0.526 173 E N 5.016 124.926 120.200 -0.484 0.000 2.278 173 E HA 0.266 4.611 4.350 -0.009 0.000 0.272 173 E C -0.682 175.683 176.600 -0.391 0.000 0.890 173 E CA -0.578 55.630 56.400 -0.320 0.000 0.770 173 E CB 0.681 30.303 29.700 -0.129 0.000 1.212 173 E HN 0.749 nan 8.360 nan 0.000 0.415 174 N N 2.693 121.211 118.700 -0.303 0.000 2.776 174 N HA -0.197 4.538 4.740 -0.009 0.000 0.249 174 N C 0.447 175.788 175.510 -0.282 0.000 1.111 174 N CA 1.453 54.369 53.050 -0.223 0.000 0.711 174 N CB -1.385 37.013 38.487 -0.149 0.000 1.065 174 N HN 0.945 nan 8.380 nan 0.000 0.556 175 G N -0.854 107.666 108.800 -0.467 0.000 2.176 175 G HA2 -0.344 3.611 3.960 -0.009 0.000 0.253 175 G HA3 -0.344 3.611 3.960 -0.009 0.000 0.253 175 G C -0.056 174.577 174.900 -0.445 0.000 0.979 175 G CA 1.182 46.082 45.100 -0.334 0.000 0.641 175 G HN 0.926 nan 8.290 nan 0.000 0.530 176 K N -1.321 118.627 120.400 -0.754 0.000 2.533 176 K HA 0.707 5.021 4.320 -0.009 0.000 0.272 176 K C -0.978 175.335 176.600 -0.478 0.000 0.985 176 K CA -1.357 54.684 56.287 -0.410 0.000 0.876 176 K CB 1.203 33.612 32.500 -0.151 0.000 1.452 176 K HN 0.012 nan 8.250 nan 0.000 0.439 177 Y N 0.812 121.105 120.300 -0.012 0.000 2.316 177 Y HA 0.142 4.686 4.550 -0.009 0.000 0.331 177 Y C -0.107 175.788 175.900 -0.010 0.000 1.083 177 Y CA -0.031 58.108 58.100 0.064 0.000 1.206 177 Y CB 1.166 39.682 38.460 0.094 0.000 1.195 177 Y HN 0.659 nan 8.280 nan 0.000 0.497 178 D N 4.451 124.968 120.400 0.195 0.000 2.411 178 D HA 0.067 4.702 4.640 -0.009 0.000 0.225 178 D C 1.012 177.432 176.300 0.199 0.000 1.156 178 D CA -0.253 53.834 54.000 0.145 0.000 0.874 178 D CB 0.266 41.147 40.800 0.135 0.000 1.034 178 D HN 0.613 nan 8.370 nan 0.000 0.502 179 I N 0.445 121.047 120.570 0.054 0.000 3.010 179 I HA -0.076 4.089 4.170 -0.009 0.000 0.271 179 I C 1.057 177.311 176.117 0.228 0.000 1.293 179 I CA 0.651 61.928 61.300 -0.039 0.000 1.452 179 I CB 0.049 37.949 38.000 -0.167 0.000 1.082 179 I HN 0.008 nan 8.210 nan 0.000 0.484 180 K N 0.651 121.172 120.400 0.201 0.000 2.361 180 K HA 0.135 4.449 4.320 -0.009 0.000 0.194 180 K C -0.009 176.716 176.600 0.207 0.000 1.032 180 K CA 0.306 56.703 56.287 0.184 0.000 1.048 180 K CB -0.026 32.546 32.500 0.120 0.000 0.842 180 K HN 0.298 nan 8.250 nan 0.000 0.526 181 D N 1.388 121.947 120.400 0.264 0.000 2.467 181 D HA 0.144 4.779 4.640 -0.009 0.000 0.220 181 D C -1.076 175.381 176.300 0.261 0.000 1.103 181 D CA -0.350 53.802 54.000 0.254 0.000 0.886 181 D CB 0.607 41.565 40.800 0.265 0.000 1.025 181 D HN -0.303 nan 8.370 nan 0.000 0.514 182 V N 2.373 122.326 119.914 0.066 0.000 2.435 182 V HA 0.619 4.734 4.120 -0.009 0.000 0.290 182 V C 1.162 177.014 176.094 -0.404 0.000 1.030 182 V CA -0.966 61.191 62.300 -0.238 0.000 0.881 182 V CB 1.959 33.624 31.823 -0.264 0.000 0.983 182 V HN 0.584 nan 8.190 nan 0.000 0.445 183 G N 2.367 110.555 108.800 -1.021 0.000 4.126 183 G HA2 0.415 4.369 3.960 -0.009 0.000 0.282 183 G HA3 0.415 4.369 3.960 -0.009 0.000 0.282 183 G C 0.482 175.111 174.900 -0.452 0.000 1.221 183 G CA 0.339 44.685 45.100 -1.258 0.000 1.527 183 G HN 0.903 nan 8.290 nan 0.000 0.612 184 V N -1.809 118.003 119.914 -0.171 0.000 3.502 184 V HA 0.225 4.340 4.120 -0.009 0.000 0.288 184 V C 0.805 176.900 176.094 0.003 0.000 1.461 184 V CA 0.685 62.994 62.300 0.014 0.000 1.029 184 V CB 0.819 32.703 31.823 0.103 0.000 0.843 184 V HN 0.332 nan 8.190 nan 0.000 0.438 185 D N 1.042 121.433 120.400 -0.015 0.000 2.501 185 D HA 0.110 4.745 4.640 -0.009 0.000 0.224 185 D C 0.348 176.660 176.300 0.020 0.000 1.202 185 D CA -0.103 53.903 54.000 0.010 0.000 0.829 185 D CB -0.472 40.341 40.800 0.022 0.000 1.023 185 D HN 0.648 nan 8.370 nan 0.000 0.499 186 N N 0.219 118.931 118.700 0.019 0.000 2.405 186 N HA 0.350 5.085 4.740 -0.009 0.000 0.269 186 N C 1.265 176.798 175.510 0.039 0.000 1.249 186 N CA -0.060 53.020 53.050 0.050 0.000 0.974 186 N CB 0.521 39.068 38.487 0.100 0.000 1.204 186 N HN -0.108 nan 8.380 nan 0.000 0.565 187 A N -0.566 122.283 122.820 0.049 0.000 1.933 187 A HA 0.042 4.356 4.320 -0.009 0.000 0.218 187 A C 2.008 179.616 177.584 0.040 0.000 1.175 187 A CA 1.731 53.794 52.037 0.043 0.000 0.628 187 A CB -1.643 17.383 19.000 0.044 0.000 0.814 187 A HN 0.805 nan 8.150 nan 0.000 0.444 188 G N -0.471 108.352 108.800 0.038 0.000 2.418 188 G HA2 0.010 3.965 3.960 -0.009 0.000 0.217 188 G HA3 0.010 3.965 3.960 -0.009 0.000 0.217 188 G C 1.727 176.600 174.900 -0.045 0.000 1.158 188 G CA 1.459 46.571 45.100 0.021 0.000 0.771 188 G HN 0.750 nan 8.290 nan 0.000 0.545 189 A N 1.072 123.853 122.820 -0.065 0.000 1.841 189 A HA 0.031 4.346 4.320 -0.009 0.000 0.214 189 A C 2.289 179.821 177.584 -0.087 0.000 1.195 189 A CA 1.933 53.897 52.037 -0.122 0.000 0.611 189 A CB -0.444 18.508 19.000 -0.081 0.000 0.835 189 A HN 0.340 nan 8.150 nan 0.000 0.443 190 K N -0.088 120.294 120.400 -0.029 0.000 2.089 190 K HA -0.205 4.109 4.320 -0.009 0.000 0.210 190 K C 2.296 178.898 176.600 0.004 0.000 1.048 190 K CA 1.372 57.655 56.287 -0.006 0.000 0.926 190 K CB -0.457 32.054 32.500 0.018 0.000 0.714 190 K HN 0.463 nan 8.250 nan 0.000 0.448 191 A N 1.390 124.231 122.820 0.035 0.000 1.851 191 A HA -0.149 4.166 4.320 -0.009 0.000 0.216 191 A C 2.505 180.079 177.584 -0.017 0.000 1.195 191 A CA 2.171 54.288 52.037 0.133 0.000 0.622 191 A CB -1.518 17.638 19.000 0.259 0.000 0.831 191 A HN 0.448 nan 8.150 nan 0.000 0.444 192 G N -0.393 108.216 108.800 -0.318 0.000 2.491 192 G HA2 -0.207 3.748 3.960 -0.009 0.000 0.218 192 G HA3 -0.207 3.748 3.960 -0.009 0.000 0.218 192 G C 1.525 176.159 174.900 -0.443 0.000 1.180 192 G CA 1.371 45.994 45.100 -0.796 0.000 0.774 192 G HN 0.506 nan 8.290 nan 0.000 0.562 193 L N 0.759 121.846 121.223 -0.227 0.000 2.046 193 L HA 0.016 4.351 4.340 -0.009 0.000 0.208 193 L C 2.977 179.818 176.870 -0.049 0.000 1.077 193 L CA 2.549 57.322 54.840 -0.112 0.000 0.747 193 L CB -0.997 41.028 42.059 -0.057 0.000 0.896 193 L HN 0.206 nan 8.230 nan 0.000 0.432 194 T N -0.519 114.027 114.554 -0.013 0.000 2.665 194 T HA -0.272 4.073 4.350 -0.009 0.000 0.268 194 T C 1.655 176.391 174.700 0.059 0.000 1.035 194 T CA 2.037 64.157 62.100 0.033 0.000 1.151 194 T CB -0.595 68.314 68.868 0.069 0.000 0.862 194 T HN 0.422 nan 8.240 nan 0.000 0.438 195 F N 1.311 121.224 119.950 -0.062 0.000 2.126 195 F HA -0.093 4.432 4.527 -0.004 0.000 0.299 195 F C 1.965 177.734 175.800 -0.051 0.000 1.096 195 F CA 0.921 58.908 58.000 -0.023 0.000 1.255 195 F CB -0.374 38.595 39.000 -0.052 0.000 0.997 195 F HN 0.060 nan 8.300 nan 0.000 0.479 196 L N -0.145 121.090 121.223 0.021 0.000 2.056 196 L HA -0.117 4.218 4.340 -0.009 0.000 0.207 196 L C 2.168 179.017 176.870 -0.036 0.000 1.078 196 L CA 1.547 56.384 54.840 -0.005 0.000 0.749 196 L CB -0.853 41.206 42.059 -0.000 0.000 0.901 196 L HN 0.056 nan 8.230 nan 0.000 0.433 197 V N -0.134 119.758 119.914 -0.036 0.000 2.407 197 V HA -0.277 3.838 4.120 -0.009 0.000 0.248 197 V C 2.245 178.308 176.094 -0.052 0.000 1.055 197 V CA 1.816 64.097 62.300 -0.032 0.000 1.049 197 V CB -0.936 30.875 31.823 -0.020 0.000 0.662 197 V HN 0.422 nan 8.190 nan 0.000 0.455 198 D N 0.444 120.793 120.400 -0.086 0.000 2.104 198 D HA -0.152 4.482 4.640 -0.009 0.000 0.194 198 D C 2.136 178.379 176.300 -0.095 0.000 0.994 198 D CA 1.255 55.194 54.000 -0.103 0.000 0.830 198 D CB -0.403 40.305 40.800 -0.154 0.000 0.959 198 D HN 0.339 nan 8.370 nan 0.000 0.452 199 L N 0.304 121.449 121.223 -0.130 0.000 2.081 199 L HA -0.168 4.167 4.340 -0.009 0.000 0.212 199 L C 2.412 179.296 176.870 0.024 0.000 1.080 199 L CA 0.860 55.699 54.840 -0.001 0.000 0.754 199 L CB -0.342 41.735 42.059 0.031 0.000 0.893 199 L HN 0.077 nan 8.230 nan 0.000 0.433 200 I N -0.929 119.634 120.570 -0.012 0.000 2.406 200 I HA -0.182 3.983 4.170 -0.009 0.000 0.249 200 I C 2.444 178.533 176.117 -0.046 0.000 1.122 200 I CA 0.672 61.959 61.300 -0.022 0.000 1.431 200 I CB -0.258 37.727 38.000 -0.025 0.000 1.087 200 I HN 0.169 nan 8.210 nan 0.000 0.424 201 K N 0.909 121.279 120.400 -0.051 0.000 2.057 201 K HA -0.104 4.211 4.320 -0.009 0.000 0.207 201 K C 1.470 178.015 176.600 -0.092 0.000 1.049 201 K CA 1.203 57.456 56.287 -0.058 0.000 0.931 201 K CB -0.646 31.826 32.500 -0.046 0.000 0.714 201 K HN 0.270 nan 8.250 nan 0.000 0.440 202 N N 1.197 119.822 118.700 -0.125 0.000 2.571 202 N HA -0.038 4.696 4.740 -0.009 0.000 0.189 202 N C -0.150 175.114 175.510 -0.411 0.000 1.154 202 N CA 0.287 53.174 53.050 -0.272 0.000 0.907 202 N CB 0.017 38.334 38.487 -0.285 0.000 0.977 202 N HN 0.191 nan 8.380 nan 0.000 0.449 203 K N -0.862 119.411 120.400 -0.212 0.000 3.274 203 K HA -0.220 4.095 4.320 -0.009 0.000 0.300 203 K C -0.028 176.496 176.600 -0.126 0.000 1.230 203 K CA 0.573 56.771 56.287 -0.148 0.000 0.884 203 K CB -1.280 31.141 32.500 -0.132 0.000 1.242 203 K HN 0.449 nan 8.250 nan 0.000 0.467 204 H N -0.913 118.162 119.070 0.009 0.000 2.524 204 H HA 0.157 4.712 4.556 -0.001 0.000 0.282 204 H C 0.847 176.203 175.328 0.047 0.000 1.016 204 H CA 0.981 57.049 56.048 0.032 0.000 1.270 204 H CB 0.168 29.954 29.762 0.040 0.000 1.394 204 H HN 0.292 nan 8.280 nan 0.000 0.568 205 M N -0.199 119.472 119.600 0.118 0.000 2.569 205 M HA 0.190 4.664 4.480 -0.009 0.000 0.279 205 M C -0.858 175.447 176.300 0.009 0.000 1.253 205 M CA -0.803 54.538 55.300 0.069 0.000 0.867 205 M CB 2.930 35.577 32.600 0.078 0.000 1.727 205 M HN -0.168 nan 8.290 nan 0.000 0.467 206 N N 0.311 119.001 118.700 -0.016 0.000 2.430 206 N HA 0.558 5.293 4.740 -0.009 0.000 0.292 206 N C 0.143 175.620 175.510 -0.055 0.000 1.051 206 N CA -0.009 53.023 53.050 -0.032 0.000 0.917 206 N CB 1.856 40.328 38.487 -0.026 0.000 1.164 206 N HN 0.731 nan 8.380 nan 0.000 0.484 207 A N 2.419 125.210 122.820 -0.047 0.000 2.119 207 A HA -0.044 4.270 4.320 -0.009 0.000 0.217 207 A C 0.720 178.270 177.584 -0.056 0.000 1.153 207 A CA 1.027 53.032 52.037 -0.053 0.000 0.692 207 A CB -0.053 18.924 19.000 -0.038 0.000 0.799 207 A HN 0.718 nan 8.150 nan 0.000 0.458 208 D N -0.180 120.190 120.400 -0.048 0.000 2.340 208 D HA 0.068 4.703 4.640 -0.009 0.000 0.217 208 D C -0.126 176.143 176.300 -0.050 0.000 1.081 208 D CA 0.359 54.334 54.000 -0.042 0.000 0.842 208 D CB -0.010 40.773 40.800 -0.029 0.000 0.934 208 D HN 0.165 nan 8.370 nan 0.000 0.511 209 T N 2.705 117.214 114.554 -0.075 0.000 2.834 209 T HA 0.146 4.491 4.350 -0.009 0.000 0.298 209 T C 0.319 174.955 174.700 -0.108 0.000 0.966 209 T CA -0.191 61.855 62.100 -0.090 0.000 1.141 209 T CB 1.039 69.832 68.868 -0.125 0.000 0.905 209 T HN 0.208 nan 8.240 nan 0.000 0.535 210 D N 1.947 122.304 120.400 -0.071 0.000 2.689 210 D HA 0.127 4.762 4.640 -0.009 0.000 0.255 210 D C 1.008 177.286 176.300 -0.037 0.000 1.113 210 D CA -0.840 53.127 54.000 -0.055 0.000 1.115 210 D CB 0.620 41.416 40.800 -0.006 0.000 1.334 210 D HN 0.335 nan 8.370 nan 0.000 0.621 211 Y N 1.052 121.278 120.300 -0.123 0.000 2.030 211 Y HA -0.314 4.231 4.550 -0.009 0.000 0.274 211 Y C 2.909 178.797 175.900 -0.021 0.000 1.153 211 Y CA 3.723 61.763 58.100 -0.101 0.000 1.115 211 Y CB -0.444 37.983 38.460 -0.055 0.000 0.969 211 Y HN 0.504 nan 8.280 nan 0.000 0.488 212 S N 0.002 115.839 115.700 0.228 0.000 2.370 212 S HA -0.244 4.220 4.470 -0.009 0.000 0.226 212 S C 2.034 176.660 174.600 0.045 0.000 1.033 212 S CA 1.744 60.037 58.200 0.155 0.000 1.011 212 S CB -1.178 62.109 63.200 0.144 0.000 0.852 212 S HN 0.553 nan 8.310 nan 0.000 0.457 213 I N 2.240 122.823 120.570 0.022 0.000 2.226 213 I HA -0.153 4.012 4.170 -0.009 0.000 0.245 213 I C 3.078 179.191 176.117 -0.006 0.000 1.100 213 I CA 1.343 62.646 61.300 0.006 0.000 1.374 213 I CB -0.747 37.251 38.000 -0.004 0.000 1.057 213 I HN 0.471 nan 8.210 nan 0.000 0.413 214 A N -0.072 122.720 122.820 -0.046 0.000 2.014 214 A HA -0.204 4.111 4.320 -0.009 0.000 0.218 214 A C 2.277 179.844 177.584 -0.029 0.000 1.163 214 A CA 1.398 53.414 52.037 -0.034 0.000 0.652 214 A CB -0.450 18.506 19.000 -0.074 0.000 0.808 214 A HN 0.483 nan 8.150 nan 0.000 0.449 215 E N 0.001 120.140 120.200 -0.101 0.000 2.028 215 E HA -0.064 4.281 4.350 -0.009 0.000 0.190 215 E C 2.194 178.822 176.600 0.046 0.000 0.984 215 E CA 0.877 57.238 56.400 -0.065 0.000 0.800 215 E CB -0.238 29.405 29.700 -0.094 0.000 0.758 215 E HN 0.496 nan 8.360 nan 0.000 0.448 216 A N 1.296 124.141 122.820 0.042 0.000 1.940 216 A HA -0.157 4.158 4.320 -0.009 0.000 0.219 216 A C 2.365 179.982 177.584 0.055 0.000 1.176 216 A CA 1.945 54.012 52.037 0.050 0.000 0.631 216 A CB -0.799 18.226 19.000 0.041 0.000 0.814 216 A HN 0.422 nan 8.150 nan 0.000 0.446 217 A N -1.282 121.576 122.820 0.063 0.000 1.858 217 A HA -0.063 4.251 4.320 -0.009 0.000 0.216 217 A C 2.090 179.725 177.584 0.086 0.000 1.190 217 A CA 1.647 53.723 52.037 0.066 0.000 0.617 217 A CB -0.748 18.297 19.000 0.074 0.000 0.827 217 A HN 0.655 nan 8.150 nan 0.000 0.443 218 F N 1.108 121.051 119.950 -0.011 0.000 2.186 218 F HA -0.116 4.405 4.527 -0.010 0.000 0.299 218 F C 1.813 177.597 175.800 -0.026 0.000 1.090 218 F CA 1.756 59.748 58.000 -0.012 0.000 1.307 218 F CB -0.117 38.871 39.000 -0.020 0.000 1.019 218 F HN 0.208 nan 8.300 nan 0.000 0.489 219 N N 0.295 119.093 118.700 0.163 0.000 2.331 219 N HA -0.081 4.653 4.740 -0.009 0.000 0.180 219 N C 1.221 176.727 175.510 -0.007 0.000 1.019 219 N CA 0.983 54.078 53.050 0.075 0.000 0.881 219 N CB -0.226 38.309 38.487 0.081 0.000 0.972 219 N HN 0.308 nan 8.380 nan 0.000 0.435 220 K N -0.317 120.074 120.400 -0.015 0.000 2.374 220 K HA 0.188 4.503 4.320 -0.009 0.000 0.196 220 K C 0.368 176.928 176.600 -0.067 0.000 1.023 220 K CA 0.162 56.432 56.287 -0.029 0.000 1.103 220 K CB 0.474 32.970 32.500 -0.007 0.000 0.848 220 K HN 0.153 nan 8.250 nan 0.000 0.528 221 G N 2.397 111.116 108.800 -0.134 0.000 2.221 221 G HA2 -0.280 3.675 3.960 -0.009 0.000 0.265 221 G HA3 -0.280 3.675 3.960 -0.009 0.000 0.265 221 G C 0.266 175.097 174.900 -0.116 0.000 1.041 221 G CA 0.383 45.373 45.100 -0.183 0.000 0.807 221 G HN 0.476 nan 8.290 nan 0.000 0.502 222 E N -1.036 119.118 120.200 -0.076 0.000 2.447 222 E HA 0.179 4.524 4.350 -0.009 0.000 0.195 222 E C 1.020 177.613 176.600 -0.011 0.000 1.028 222 E CA 0.863 57.245 56.400 -0.029 0.000 0.876 222 E CB 0.624 30.322 29.700 -0.003 0.000 0.885 222 E HN 0.354 nan 8.360 nan 0.000 0.500 223 T N -1.537 113.001 114.554 -0.028 0.000 2.916 223 T HA 0.486 4.831 4.350 -0.009 0.000 0.305 223 T C 0.240 174.930 174.700 -0.016 0.000 1.119 223 T CA -0.151 61.969 62.100 0.033 0.000 1.008 223 T CB 1.694 70.642 68.868 0.132 0.000 1.129 223 T HN -0.053 nan 8.240 nan 0.000 0.480 224 A N 3.992 126.847 122.820 0.057 0.000 1.930 224 A HA 0.405 4.720 4.320 -0.009 0.000 0.215 224 A C 0.883 178.638 177.584 0.285 0.000 1.176 224 A CA 0.844 52.923 52.037 0.070 0.000 0.632 224 A CB -0.232 18.818 19.000 0.084 0.000 0.819 224 A HN 0.742 nan 8.150 nan 0.000 0.445 225 M N -2.213 117.613 119.600 0.378 0.000 2.658 225 M HA 0.542 5.017 4.480 -0.009 0.000 0.295 225 M C -0.632 175.881 176.300 0.356 0.000 1.248 225 M CA -0.302 55.269 55.300 0.451 0.000 0.843 225 M CB 2.571 35.289 32.600 0.198 0.000 1.749 225 M HN 0.072 nan 8.290 nan 0.000 0.464 226 T N 0.890 115.463 114.554 0.032 0.000 2.840 226 T HA 0.691 5.035 4.350 -0.009 0.000 0.317 226 T C -2.046 172.572 174.700 -0.137 0.000 1.401 226 T CA -0.575 61.483 62.100 -0.070 0.000 1.028 226 T CB 1.326 70.010 68.868 -0.306 0.000 1.317 226 T HN 0.575 nan 8.240 nan 0.000 0.495 227 I N 4.031 124.581 120.570 -0.033 0.000 2.389 227 I HA 0.574 4.738 4.170 -0.009 0.000 0.288 227 I C -0.126 176.092 176.117 0.169 0.000 0.999 227 I CA -0.707 60.575 61.300 -0.031 0.000 1.129 227 I CB 1.620 39.502 38.000 -0.197 0.000 1.288 227 I HN 0.516 nan 8.210 nan 0.000 0.444 228 N N 3.074 121.810 118.700 0.061 0.000 3.179 228 N HA 0.512 5.247 4.740 -0.009 0.000 0.250 228 N C -0.939 174.397 175.510 -0.290 0.000 1.507 228 N CA -0.356 52.736 53.050 0.069 0.000 0.883 228 N CB 2.219 40.705 38.487 -0.001 0.000 1.435 228 N HN 0.626 nan 8.380 nan 0.000 0.532 229 G N 0.049 108.314 108.800 -0.893 0.000 2.552 229 G HA2 0.471 4.426 3.960 -0.009 0.000 0.318 229 G HA3 0.471 4.426 3.960 -0.009 0.000 0.318 229 G C -1.853 171.990 174.900 -1.761 0.000 1.240 229 G CA -1.155 43.050 45.100 -1.493 0.000 1.002 229 G HN 0.352 nan 8.290 nan 0.000 0.493 230 P HA -0.174 nan 4.420 nan 0.000 0.216 230 P C 1.517 178.009 177.300 -1.347 0.000 1.154 230 P CA 2.111 63.952 63.100 -2.099 0.000 0.865 230 P CB -0.079 30.933 31.700 -1.146 0.000 0.789 231 W N 0.037 121.032 121.300 -0.508 0.000 2.341 231 W HA -0.078 4.576 4.660 -0.010 0.000 0.283 231 W C 1.988 178.415 176.519 -0.153 0.000 1.215 231 W CA 1.074 58.269 57.345 -0.250 0.000 1.211 231 W CB -2.002 27.371 29.460 -0.146 0.000 1.131 231 W HN -0.117 nan 8.180 nan 0.000 0.552 232 A N 0.378 122.906 122.820 -0.486 0.000 2.014 232 A HA -0.051 4.264 4.320 -0.009 0.000 0.218 232 A C 1.674 179.257 177.584 -0.001 0.000 1.163 232 A CA 1.180 53.141 52.037 -0.126 0.000 0.652 232 A CB -1.272 17.591 19.000 -0.228 0.000 0.808 232 A HN 0.431 nan 8.150 nan 0.000 0.449 233 W N 0.228 121.453 121.300 -0.125 0.000 2.342 233 W HA -0.139 4.515 4.660 -0.010 0.000 0.297 233 W C 2.784 179.270 176.519 -0.055 0.000 1.213 233 W CA 0.735 58.014 57.345 -0.111 0.000 1.251 233 W CB -1.590 27.871 29.460 0.001 0.000 1.136 233 W HN 0.413 nan 8.180 nan 0.000 0.526 234 S N 0.738 116.561 115.700 0.205 0.000 2.365 234 S HA -0.210 4.254 4.470 -0.009 0.000 0.225 234 S C 1.708 176.363 174.600 0.092 0.000 1.039 234 S CA 1.922 60.205 58.200 0.137 0.000 1.033 234 S CB -0.338 62.922 63.200 0.099 0.000 0.887 234 S HN 0.168 nan 8.310 nan 0.000 0.447 235 N N 1.127 119.875 118.700 0.081 0.000 2.331 235 N HA 0.106 4.841 4.740 -0.009 0.000 0.180 235 N C 1.570 177.099 175.510 0.032 0.000 1.019 235 N CA 0.955 54.043 53.050 0.063 0.000 0.881 235 N CB -0.375 38.164 38.487 0.086 0.000 0.972 235 N HN 0.531 nan 8.380 nan 0.000 0.435 236 I N 0.287 120.845 120.570 -0.019 0.000 2.617 236 I HA -0.112 4.053 4.170 -0.009 0.000 0.256 236 I C 1.129 177.205 176.117 -0.068 0.000 1.167 236 I CA 0.723 61.951 61.300 -0.121 0.000 1.469 236 I CB -0.098 37.639 38.000 -0.438 0.000 1.098 236 I HN -0.099 nan 8.210 nan 0.000 0.436 237 D N 0.830 121.244 120.400 0.024 0.000 2.144 237 D HA -0.114 4.520 4.640 -0.009 0.000 0.200 237 D C 2.187 178.534 176.300 0.078 0.000 0.978 237 D CA 1.395 55.465 54.000 0.117 0.000 0.833 237 D CB -0.228 40.657 40.800 0.142 0.000 0.961 237 D HN 0.230 nan 8.370 nan 0.000 0.470 238 T N 0.054 114.642 114.554 0.056 0.000 2.951 238 T HA -0.092 4.252 4.350 -0.009 0.000 0.268 238 T C 1.929 176.651 174.700 0.037 0.000 1.073 238 T CA 1.237 63.364 62.100 0.045 0.000 1.134 238 T CB -0.127 68.765 68.868 0.041 0.000 0.884 238 T HN 0.185 nan 8.240 nan 0.000 0.479 239 S N 0.477 116.197 115.700 0.034 0.000 2.607 239 S HA 0.105 4.570 4.470 -0.009 0.000 0.224 239 S C 0.799 175.414 174.600 0.025 0.000 0.969 239 S CA 0.054 58.269 58.200 0.025 0.000 0.927 239 S CB -0.298 62.915 63.200 0.020 0.000 0.772 239 S HN 0.193 nan 8.310 nan 0.000 0.533 240 K N 0.329 120.754 120.400 0.041 0.000 3.035 240 K HA -0.094 4.221 4.320 -0.009 0.000 0.262 240 K C -0.748 175.874 176.600 0.038 0.000 1.024 240 K CA 0.581 56.894 56.287 0.042 0.000 0.748 240 K CB -2.574 29.940 32.500 0.023 0.000 1.247 240 K HN 0.442 nan 8.250 nan 0.000 0.482 241 V N 1.172 121.122 119.914 0.059 0.000 2.432 241 V HA 0.156 4.271 4.120 -0.009 0.000 0.275 241 V C 0.717 176.888 176.094 0.129 0.000 1.043 241 V CA -0.884 61.442 62.300 0.043 0.000 0.925 241 V CB 1.524 33.338 31.823 -0.015 0.000 0.985 241 V HN 0.296 nan 8.190 nan 0.000 0.466 242 N N 4.973 123.694 118.700 0.035 0.000 2.406 242 N HA 0.118 4.852 4.740 -0.009 0.000 0.269 242 N C -0.709 174.781 175.510 -0.032 0.000 1.210 242 N CA 0.052 53.093 53.050 -0.016 0.000 0.966 242 N CB -0.291 38.160 38.487 -0.059 0.000 1.293 242 N HN 0.633 nan 8.380 nan 0.000 0.491 243 Y N 0.592 120.793 120.300 -0.165 0.000 2.675 243 Y HA 0.918 5.463 4.550 -0.009 0.000 0.328 243 Y C 0.251 175.901 175.900 -0.418 0.000 1.092 243 Y CA -1.531 56.435 58.100 -0.224 0.000 1.190 243 Y CB 0.782 39.259 38.460 0.028 0.000 1.350 243 Y HN 0.239 nan 8.280 nan 0.000 0.525 244 G N -0.135 108.291 108.800 -0.623 0.000 2.706 244 G HA2 0.531 4.486 3.960 -0.009 0.000 0.297 244 G HA3 0.531 4.486 3.960 -0.009 0.000 0.297 244 G C -2.372 172.418 174.900 -0.182 0.000 1.403 244 G CA -0.950 43.740 45.100 -0.682 0.000 0.954 244 G HN 0.659 nan 8.290 nan 0.000 0.500 245 V N 1.294 121.141 119.914 -0.112 0.000 2.334 245 V HA 0.711 4.826 4.120 -0.009 0.000 0.281 245 V C 0.395 176.527 176.094 0.063 0.000 1.016 245 V CA -0.354 61.947 62.300 0.001 0.000 0.832 245 V CB 0.877 32.610 31.823 -0.150 0.000 0.999 245 V HN 0.886 nan 8.190 nan 0.000 0.439 246 T N 3.150 117.773 114.554 0.115 0.000 2.831 246 T HA 0.555 4.900 4.350 -0.009 0.000 0.287 246 T C -0.479 174.222 174.700 0.002 0.000 1.070 246 T CA -0.372 61.757 62.100 0.048 0.000 1.010 246 T CB 2.027 70.903 68.868 0.014 0.000 1.264 246 T HN 0.467 nan 8.240 nan 0.000 0.532 247 V N 2.764 122.660 119.914 -0.030 0.000 2.999 247 V HA 0.335 4.450 4.120 -0.009 0.000 0.307 247 V C 0.086 176.140 176.094 -0.068 0.000 1.084 247 V CA -0.016 62.261 62.300 -0.039 0.000 1.155 247 V CB 0.059 31.856 31.823 -0.042 0.000 0.975 247 V HN 0.726 nan 8.190 nan 0.000 0.490 248 L N 7.526 128.715 121.223 -0.058 0.000 2.416 248 L HA 0.312 4.646 4.340 -0.009 0.000 0.272 248 L C -2.005 174.799 176.870 -0.110 0.000 1.161 248 L CA -1.520 53.265 54.840 -0.092 0.000 0.845 248 L CB 0.442 42.487 42.059 -0.023 0.000 1.119 248 L HN 0.554 nan 8.230 nan 0.000 0.464 249 P HA -0.009 nan 4.420 nan 0.000 0.265 249 P C -0.456 176.852 177.300 0.014 0.000 1.187 249 P CA -0.196 62.742 63.100 -0.269 0.000 0.766 249 P CB 0.345 31.612 31.700 -0.722 0.000 0.820 250 T N 0.141 114.736 114.554 0.068 0.000 2.897 250 T HA 0.428 4.772 4.350 -0.009 0.000 0.294 250 T C -0.591 174.277 174.700 0.279 0.000 1.004 250 T CA -0.474 61.717 62.100 0.151 0.000 1.106 250 T CB 0.069 68.961 68.868 0.041 0.000 0.949 250 T HN 0.145 nan 8.240 nan 0.000 0.520 251 F N 3.352 123.339 119.950 0.062 0.000 2.411 251 F HA 0.430 4.951 4.527 -0.010 0.000 0.352 251 F C 0.732 176.458 175.800 -0.123 0.000 1.123 251 F CA -1.061 56.870 58.000 -0.115 0.000 1.044 251 F CB 0.695 39.489 39.000 -0.342 0.000 1.135 251 F HN 0.862 nan 8.300 nan 0.000 0.461 252 K N 5.055 125.014 120.400 -0.735 0.000 3.278 252 K HA -0.229 4.086 4.320 -0.009 0.000 0.270 252 K C 0.965 177.417 176.600 -0.247 0.000 0.955 252 K CA 0.716 56.672 56.287 -0.552 0.000 0.723 252 K CB -1.786 30.282 32.500 -0.719 0.000 1.382 252 K HN 1.318 nan 8.250 nan 0.000 0.461 253 G N -0.251 108.457 108.800 -0.154 0.000 2.328 253 G HA2 -0.378 3.577 3.960 -0.009 0.000 0.256 253 G HA3 -0.378 3.577 3.960 -0.009 0.000 0.256 253 G C 0.068 174.938 174.900 -0.050 0.000 1.014 253 G CA 0.838 45.887 45.100 -0.085 0.000 0.620 253 G HN 0.480 nan 8.290 nan 0.000 0.530 254 Q N 1.603 121.378 119.800 -0.042 0.000 2.230 254 Q HA 0.499 4.834 4.340 -0.009 0.000 0.253 254 Q C -2.271 173.750 176.000 0.034 0.000 0.919 254 Q CA -1.954 53.847 55.803 -0.005 0.000 0.908 254 Q CB 2.133 30.871 28.738 -0.000 0.000 1.245 254 Q HN 0.285 nan 8.270 nan 0.000 0.437 255 P HA 0.023 nan 4.420 nan 0.000 0.274 255 P C -0.797 176.532 177.300 0.049 0.000 1.231 255 P CA -0.245 62.878 63.100 0.038 0.000 0.790 255 P CB 0.885 32.592 31.700 0.011 0.000 0.951 256 S N 1.606 117.356 115.700 0.083 0.000 2.549 256 S HA 0.089 4.554 4.470 -0.009 0.000 0.283 256 S C 0.350 174.951 174.600 0.002 0.000 1.320 256 S CA -0.124 58.118 58.200 0.071 0.000 1.058 256 S CB -0.210 63.093 63.200 0.170 0.000 0.882 256 S HN 0.267 nan 8.310 nan 0.000 0.498 257 K N 3.828 124.189 120.400 -0.064 0.000 2.419 257 K HA 0.313 4.628 4.320 -0.009 0.000 0.244 257 K C -2.768 173.790 176.600 -0.071 0.000 1.045 257 K CA -1.766 54.476 56.287 -0.075 0.000 1.004 257 K CB 0.994 33.424 32.500 -0.116 0.000 1.376 257 K HN 0.319 nan 8.250 nan 0.000 0.460 258 P HA 0.132 nan 4.420 nan 0.000 0.278 258 P C -0.624 176.755 177.300 0.132 0.000 1.238 258 P CA -0.512 62.614 63.100 0.044 0.000 0.794 258 P CB 0.468 32.175 31.700 0.011 0.000 0.955 259 F N 1.247 121.348 119.950 0.252 0.000 2.495 259 F HA 0.077 4.598 4.527 -0.009 0.000 0.365 259 F C 0.546 176.529 175.800 0.304 0.000 1.090 259 F CA 0.062 58.254 58.000 0.321 0.000 1.235 259 F CB 0.318 39.569 39.000 0.418 0.000 1.119 259 F HN -0.022 nan 8.300 nan 0.000 0.562 260 V N 4.469 124.740 119.914 0.596 0.000 2.368 260 V HA 0.431 4.546 4.120 -0.009 0.000 0.266 260 V C 0.624 177.053 176.094 0.558 0.000 1.045 260 V CA -0.613 61.975 62.300 0.481 0.000 0.899 260 V CB 0.483 32.561 31.823 0.424 0.000 1.006 260 V HN 0.864 nan 8.190 nan 0.000 0.470 261 G N 3.537 112.632 108.800 0.491 0.000 2.367 261 G HA2 0.553 4.508 3.960 -0.009 0.000 0.314 261 G HA3 0.553 4.508 3.960 -0.009 0.000 0.314 261 G C -0.819 174.305 174.900 0.374 0.000 1.130 261 G CA -0.421 44.954 45.100 0.457 0.000 0.864 261 G HN 0.532 nan 8.290 nan 0.000 0.486 262 V N 3.926 124.114 119.914 0.457 0.000 2.284 262 V HA 0.149 4.263 4.120 -0.009 0.000 0.274 262 V C 0.183 176.372 176.094 0.159 0.000 1.023 262 V CA -0.810 61.606 62.300 0.193 0.000 0.808 262 V CB 0.925 32.704 31.823 -0.072 0.000 1.035 262 V HN 0.718 nan 8.190 nan 0.000 0.445 263 L N 5.595 126.888 121.223 0.115 0.000 2.700 263 L HA 0.127 4.462 4.340 -0.009 0.000 0.276 263 L C 0.431 177.356 176.870 0.093 0.000 1.200 263 L CA 1.291 56.194 54.840 0.106 0.000 0.951 263 L CB 0.042 42.165 42.059 0.108 0.000 1.226 263 L HN 0.713 nan 8.230 nan 0.000 0.489 264 S N 3.448 119.182 115.700 0.056 0.000 2.599 264 S HA 0.915 5.380 4.470 -0.009 0.000 0.294 264 S C -0.647 173.830 174.600 -0.205 0.000 1.094 264 S CA -0.324 57.765 58.200 -0.184 0.000 0.931 264 S CB 1.884 64.726 63.200 -0.597 0.000 1.093 264 S HN 0.918 nan 8.310 nan 0.000 0.488 265 A N 1.160 123.780 122.820 -0.333 0.000 2.340 265 A HA 0.779 5.094 4.320 -0.009 0.000 0.297 265 A C 0.162 177.647 177.584 -0.166 0.000 1.195 265 A CA -0.583 51.133 52.037 -0.536 0.000 0.769 265 A CB 0.540 18.929 19.000 -1.019 0.000 1.163 265 A HN 0.908 nan 8.150 nan 0.000 0.472 266 G N 0.776 109.613 108.800 0.060 0.000 2.491 266 G HA2 0.624 4.579 3.960 -0.009 0.000 0.327 266 G HA3 0.624 4.579 3.960 -0.009 0.000 0.327 266 G C -0.621 174.310 174.900 0.051 0.000 1.189 266 G CA -0.678 44.530 45.100 0.181 0.000 0.956 266 G HN 0.672 nan 8.290 nan 0.000 0.491 267 I N 1.032 121.656 120.570 0.090 0.000 2.406 267 I HA 0.157 4.322 4.170 -0.009 0.000 0.290 267 I C -0.267 175.887 176.117 0.062 0.000 0.999 267 I CA -0.961 60.370 61.300 0.051 0.000 1.124 267 I CB 1.855 39.904 38.000 0.081 0.000 1.289 267 I HN 0.321 nan 8.210 nan 0.000 0.441 268 N N 4.485 123.210 118.700 0.042 0.000 2.411 268 N HA 0.023 4.758 4.740 -0.009 0.000 0.265 268 N C 0.904 176.429 175.510 0.026 0.000 1.266 268 N CA 0.358 53.450 53.050 0.071 0.000 0.889 268 N CB 1.486 39.987 38.487 0.023 0.000 1.069 268 N HN 0.790 nan 8.380 nan 0.000 0.476 269 A N 3.727 126.562 122.820 0.025 0.000 2.070 269 A HA -0.040 4.274 4.320 -0.009 0.000 0.220 269 A C 1.644 179.217 177.584 -0.019 0.000 1.159 269 A CA 1.726 53.768 52.037 0.008 0.000 0.656 269 A CB -0.321 18.683 19.000 0.007 0.000 0.800 269 A HN 0.736 nan 8.150 nan 0.000 0.453 270 A N -0.783 122.010 122.820 -0.046 0.000 2.348 270 A HA 0.422 4.737 4.320 -0.009 0.000 0.224 270 A C 1.132 178.683 177.584 -0.054 0.000 1.227 270 A CA 0.593 52.594 52.037 -0.059 0.000 0.885 270 A CB -0.370 18.575 19.000 -0.092 0.000 0.933 270 A HN 0.436 nan 8.150 nan 0.000 0.506 271 S N 0.938 116.613 115.700 -0.042 0.000 2.510 271 S HA 0.313 4.778 4.470 -0.009 0.000 0.279 271 S C -1.579 173.006 174.600 -0.025 0.000 1.284 271 S CA -1.044 57.132 58.200 -0.040 0.000 1.059 271 S CB 0.770 63.949 63.200 -0.035 0.000 0.901 271 S HN 0.192 nan 8.310 nan 0.000 0.491 272 P HA 0.104 nan 4.420 nan 0.000 0.236 272 P C -0.012 177.285 177.300 -0.005 0.000 1.177 272 P CA 0.498 63.589 63.100 -0.015 0.000 0.773 272 P CB 0.083 31.772 31.700 -0.018 0.000 0.878 273 N N -0.289 118.407 118.700 -0.007 0.000 2.380 273 N HA 0.105 4.840 4.740 -0.009 0.000 0.255 273 N C 0.903 176.421 175.510 0.013 0.000 1.158 273 N CA -0.105 52.948 53.050 0.006 0.000 0.878 273 N CB 0.225 38.712 38.487 -0.000 0.000 1.138 273 N HN 0.194 nan 8.380 nan 0.000 0.509 274 K N 0.819 121.228 120.400 0.015 0.000 2.074 274 K HA -0.150 4.164 4.320 -0.009 0.000 0.209 274 K C 1.264 177.889 176.600 0.041 0.000 1.048 274 K CA 1.117 57.420 56.287 0.028 0.000 0.926 274 K CB 0.239 32.757 32.500 0.029 0.000 0.713 274 K HN 0.172 nan 8.250 nan 0.000 0.444 275 E N 0.957 121.183 120.200 0.043 0.000 2.072 275 E HA -0.138 4.207 4.350 -0.009 0.000 0.191 275 E C 2.186 178.833 176.600 0.078 0.000 0.985 275 E CA 0.949 57.382 56.400 0.055 0.000 0.801 275 E CB -0.245 29.485 29.700 0.049 0.000 0.750 275 E HN 0.316 nan 8.360 nan 0.000 0.452 276 L N 0.548 121.822 121.223 0.086 0.000 2.083 276 L HA -0.155 4.179 4.340 -0.009 0.000 0.209 276 L C 2.549 179.480 176.870 0.102 0.000 1.083 276 L CA 1.166 56.096 54.840 0.150 0.000 0.752 276 L CB -0.537 41.606 42.059 0.139 0.000 0.899 276 L HN 0.056 nan 8.230 nan 0.000 0.433 277 A N 0.117 122.951 122.820 0.024 0.000 1.898 277 A HA -0.240 4.075 4.320 -0.009 0.000 0.216 277 A C 2.411 179.988 177.584 -0.012 0.000 1.181 277 A CA 1.842 53.864 52.037 -0.025 0.000 0.620 277 A CB -0.437 18.550 19.000 -0.021 0.000 0.819 277 A HN 0.331 nan 8.150 nan 0.000 0.442 278 K N -0.495 119.913 120.400 0.013 0.000 2.103 278 K HA -0.190 4.125 4.320 -0.009 0.000 0.207 278 K C 1.921 178.487 176.600 -0.057 0.000 1.048 278 K CA 1.521 57.791 56.287 -0.028 0.000 0.930 278 K CB -0.113 32.414 32.500 0.045 0.000 0.716 278 K HN 0.443 nan 8.250 nan 0.000 0.444 279 E N 0.210 120.451 120.200 0.068 0.000 2.017 279 E HA -0.199 4.146 4.350 -0.009 0.000 0.193 279 E C 1.828 178.557 176.600 0.214 0.000 0.997 279 E CA 1.223 57.735 56.400 0.186 0.000 0.804 279 E CB -0.409 29.491 29.700 0.334 0.000 0.757 279 E HN 0.339 nan 8.360 nan 0.000 0.448 280 F N 1.637 121.496 119.950 -0.151 0.000 2.091 280 F HA -0.243 4.278 4.527 -0.009 0.000 0.299 280 F C 2.193 177.900 175.800 -0.156 0.000 1.103 280 F CA 1.428 59.126 58.000 -0.504 0.000 1.228 280 F CB -0.265 38.053 39.000 -1.138 0.000 0.984 280 F HN -0.059 nan 8.300 nan 0.000 0.477 281 L N -0.178 120.945 121.223 -0.166 0.000 2.023 281 L HA -0.160 4.175 4.340 -0.009 0.000 0.205 281 L C 2.466 179.157 176.870 -0.297 0.000 1.073 281 L CA 1.700 56.356 54.840 -0.307 0.000 0.745 281 L CB -0.792 40.956 42.059 -0.519 0.000 0.900 281 L HN 0.129 nan 8.230 nan 0.000 0.435 282 E N -0.025 119.962 120.200 -0.354 0.000 2.107 282 E HA -0.126 4.219 4.350 -0.009 0.000 0.191 282 E C 1.021 177.664 176.600 0.072 0.000 0.982 282 E CA 0.896 57.121 56.400 -0.291 0.000 0.809 282 E CB 0.076 29.364 29.700 -0.686 0.000 0.756 282 E HN 0.431 nan 8.360 nan 0.000 0.459 283 N N -1.420 117.316 118.700 0.060 0.000 2.171 283 N HA 0.093 4.828 4.740 -0.009 0.000 0.212 283 N C 0.012 175.493 175.510 -0.047 0.000 1.184 283 N CA 0.266 53.368 53.050 0.088 0.000 0.888 283 N CB 0.642 39.239 38.487 0.183 0.000 1.038 283 N HN 0.149 nan 8.380 nan 0.000 0.517 284 Y N -1.026 119.188 120.300 -0.144 0.000 2.965 284 Y HA 0.232 4.776 4.550 -0.009 0.000 0.242 284 Y C 1.503 177.190 175.900 -0.354 0.000 1.078 284 Y CA -0.308 57.659 58.100 -0.222 0.000 1.288 284 Y CB -0.060 38.251 38.460 -0.249 0.000 1.459 284 Y HN -0.106 nan 8.280 nan 0.000 0.438 285 L N 0.482 121.458 121.223 -0.410 0.000 2.049 285 L HA 0.107 4.442 4.340 -0.009 0.000 0.203 285 L C 0.751 177.548 176.870 -0.122 0.000 1.074 285 L CA 1.840 56.490 54.840 -0.317 0.000 0.749 285 L CB -0.611 41.247 42.059 -0.335 0.000 0.907 285 L HN 0.119 nan 8.230 nan 0.000 0.439 286 L N 1.545 122.742 121.223 -0.043 0.000 2.511 286 L HA 0.175 4.510 4.340 -0.009 0.000 0.239 286 L C -0.022 176.862 176.870 0.023 0.000 1.400 286 L CA 0.016 54.885 54.840 0.047 0.000 1.226 286 L CB -1.455 40.736 42.059 0.220 0.000 1.475 286 L HN 0.451 nan 8.230 nan 0.000 0.428 287 T N -6.263 108.256 114.554 -0.057 0.000 2.812 287 T HA 0.277 4.621 4.350 -0.009 0.000 0.294 287 T C 0.536 175.140 174.700 -0.159 0.000 1.159 287 T CA -0.822 61.231 62.100 -0.078 0.000 1.008 287 T CB 1.887 70.700 68.868 -0.091 0.000 1.289 287 T HN -0.052 nan 8.240 nan 0.000 0.514 288 D N 0.445 120.760 120.400 -0.141 0.000 2.144 288 D HA -0.037 4.598 4.640 -0.009 0.000 0.199 288 D C 1.748 177.826 176.300 -0.371 0.000 0.984 288 D CA 1.463 55.319 54.000 -0.241 0.000 0.834 288 D CB -0.020 40.764 40.800 -0.027 0.000 0.955 288 D HN 0.707 nan 8.370 nan 0.000 0.465 289 E N -0.059 120.017 120.200 -0.207 0.000 2.112 289 E HA 0.038 4.382 4.350 -0.009 0.000 0.190 289 E C 2.145 178.641 176.600 -0.174 0.000 0.979 289 E CA 1.014 57.317 56.400 -0.162 0.000 0.814 289 E CB -0.558 29.085 29.700 -0.096 0.000 0.762 289 E HN 0.270 nan 8.360 nan 0.000 0.460 290 G N 0.985 109.679 108.800 -0.176 0.000 2.434 290 G HA2 -0.205 3.749 3.960 -0.009 0.000 0.214 290 G HA3 -0.205 3.749 3.960 -0.009 0.000 0.214 290 G C 1.516 176.314 174.900 -0.170 0.000 1.202 290 G CA 0.537 45.551 45.100 -0.143 0.000 0.788 290 G HN 0.139 nan 8.290 nan 0.000 0.539 291 L N 0.432 121.506 121.223 -0.249 0.000 2.127 291 L HA -0.074 4.261 4.340 -0.009 0.000 0.211 291 L C 2.726 179.425 176.870 -0.285 0.000 1.089 291 L CA 1.430 56.126 54.840 -0.241 0.000 0.757 291 L CB -0.384 41.523 42.059 -0.253 0.000 0.899 291 L HN 0.399 nan 8.230 nan 0.000 0.434 292 E N 0.629 120.537 120.200 -0.487 0.000 2.077 292 E HA -0.240 4.104 4.350 -0.009 0.000 0.193 292 E C 2.256 178.825 176.600 -0.052 0.000 0.989 292 E CA 1.195 57.449 56.400 -0.243 0.000 0.800 292 E CB 0.037 29.602 29.700 -0.224 0.000 0.746 292 E HN 0.449 nan 8.360 nan 0.000 0.452 293 A N 0.616 123.392 122.820 -0.072 0.000 1.865 293 A HA -0.166 4.149 4.320 -0.009 0.000 0.217 293 A C 2.428 180.001 177.584 -0.019 0.000 1.191 293 A CA 1.755 53.776 52.037 -0.026 0.000 0.623 293 A CB -0.844 18.145 19.000 -0.018 0.000 0.826 293 A HN 0.230 nan 8.150 nan 0.000 0.444 294 V N 0.681 120.577 119.914 -0.031 0.000 2.295 294 V HA -0.255 3.859 4.120 -0.009 0.000 0.246 294 V C 2.424 178.520 176.094 0.003 0.000 1.049 294 V CA 2.312 64.593 62.300 -0.031 0.000 1.024 294 V CB -1.191 30.605 31.823 -0.046 0.000 0.648 294 V HN 0.707 nan 8.190 nan 0.000 0.447 295 N N 0.229 118.956 118.700 0.046 0.000 2.137 295 N HA -0.200 4.534 4.740 -0.009 0.000 0.190 295 N C 1.766 177.337 175.510 0.101 0.000 1.017 295 N CA 1.550 54.665 53.050 0.109 0.000 0.859 295 N CB -0.178 38.445 38.487 0.226 0.000 1.002 295 N HN 0.465 nan 8.380 nan 0.000 0.428 296 K N -0.292 120.155 120.400 0.079 0.000 2.057 296 K HA -0.133 4.182 4.320 -0.009 0.000 0.206 296 K C 1.460 178.084 176.600 0.040 0.000 1.050 296 K CA 1.322 57.650 56.287 0.068 0.000 0.935 296 K CB -0.232 32.299 32.500 0.052 0.000 0.715 296 K HN 0.247 nan 8.250 nan 0.000 0.439 297 D N 0.651 121.052 120.400 0.001 0.000 2.078 297 D HA -0.088 4.546 4.640 -0.009 0.000 0.193 297 D C -0.030 176.259 176.300 -0.020 0.000 0.990 297 D CA 1.426 55.400 54.000 -0.043 0.000 0.827 297 D CB 0.357 41.089 40.800 -0.114 0.000 0.975 297 D HN -0.144 nan 8.370 nan 0.000 0.451 298 K N 0.155 120.553 120.400 -0.004 0.000 2.565 298 K HA 0.367 4.682 4.320 -0.009 0.000 0.249 298 K C -2.688 173.941 176.600 0.049 0.000 0.958 298 K CA -2.093 54.215 56.287 0.034 0.000 0.806 298 K CB 2.067 34.586 32.500 0.032 0.000 1.194 298 K HN -0.051 nan 8.250 nan 0.000 0.434 299 P HA 0.075 nan 4.420 nan 0.000 0.262 299 P C 0.525 177.815 177.300 -0.016 0.000 1.182 299 P CA 0.110 63.232 63.100 0.036 0.000 0.761 299 P CB 0.530 32.230 31.700 -0.001 0.000 0.795 300 L N 1.961 123.209 121.223 0.042 0.000 2.529 300 L HA 0.183 4.518 4.340 -0.009 0.000 0.223 300 L C 1.656 178.544 176.870 0.029 0.000 1.113 300 L CA 0.792 55.664 54.840 0.054 0.000 0.861 300 L CB -0.729 41.384 42.059 0.089 0.000 1.012 300 L HN 0.720 nan 8.230 nan 0.000 0.461 301 G N 0.674 109.474 108.800 0.000 0.000 2.596 301 G HA2 -0.302 3.652 3.960 -0.009 0.000 0.258 301 G HA3 -0.302 3.652 3.960 -0.009 0.000 0.258 301 G C 0.086 175.033 174.900 0.078 0.000 1.207 301 G CA -0.145 44.967 45.100 0.019 0.000 0.954 301 G HN 0.417 nan 8.290 nan 0.000 0.551 302 A N 0.981 123.836 122.820 0.058 0.000 2.478 302 A HA 0.717 5.032 4.320 -0.009 0.000 0.327 302 A C 0.872 178.491 177.584 0.059 0.000 1.431 302 A CA 0.589 52.647 52.037 0.036 0.000 1.014 302 A CB -0.268 18.721 19.000 -0.018 0.000 1.143 302 A HN 2.252 nan 8.150 nan 0.000 0.532 303 V N 0.310 120.287 119.914 0.104 0.000 2.999 303 V HA 0.368 4.482 4.120 -0.009 0.000 0.307 303 V C 1.290 177.477 176.094 0.154 0.000 1.084 303 V CA 0.478 62.865 62.300 0.145 0.000 1.155 303 V CB 0.330 32.291 31.823 0.232 0.000 0.975 303 V HN 0.998 nan 8.190 nan 0.000 0.490 304 A N 3.259 126.159 122.820 0.133 0.000 2.016 304 A HA 0.199 4.514 4.320 -0.009 0.000 0.217 304 A C 1.152 178.852 177.584 0.193 0.000 1.162 304 A CA 0.496 52.627 52.037 0.156 0.000 0.662 304 A CB -0.427 18.564 19.000 -0.014 0.000 0.812 304 A HN 0.988 nan 8.150 nan 0.000 0.450 305 L N 0.918 122.212 121.223 0.117 0.000 2.433 305 L HA 0.149 4.483 4.340 -0.009 0.000 0.275 305 L C 1.092 178.023 176.870 0.101 0.000 1.128 305 L CA 0.310 55.179 54.840 0.049 0.000 0.875 305 L CB 0.287 42.375 42.059 0.047 0.000 1.171 305 L HN 0.269 nan 8.230 nan 0.000 0.463 306 K N 1.721 122.076 120.400 -0.075 0.000 2.063 306 K HA -0.186 4.129 4.320 -0.009 0.000 0.208 306 K C 1.984 178.601 176.600 0.028 0.000 1.048 306 K CA 1.770 57.975 56.287 -0.137 0.000 0.928 306 K CB -0.130 32.132 32.500 -0.396 0.000 0.713 306 K HN 0.914 nan 8.250 nan 0.000 0.442 307 S N 0.431 116.146 115.700 0.025 0.000 2.356 307 S HA -0.222 4.243 4.470 -0.009 0.000 0.223 307 S C 1.989 176.669 174.600 0.133 0.000 1.032 307 S CA 1.097 59.335 58.200 0.063 0.000 1.005 307 S CB -0.642 62.589 63.200 0.052 0.000 0.867 307 S HN 0.382 nan 8.310 nan 0.000 0.449 308 Y N 1.861 122.177 120.300 0.027 0.000 2.511 308 Y HA 0.283 4.828 4.550 -0.009 0.000 0.279 308 Y C 2.414 178.352 175.900 0.063 0.000 1.157 308 Y CA 0.409 58.532 58.100 0.038 0.000 1.300 308 Y CB -0.036 38.442 38.460 0.031 0.000 1.052 308 Y HN 0.247 nan 8.280 nan 0.000 0.529 309 E N 0.800 121.066 120.200 0.110 0.000 2.076 309 E HA -0.155 4.190 4.350 -0.009 0.000 0.190 309 E C 1.524 178.133 176.600 0.015 0.000 0.979 309 E CA 1.254 57.702 56.400 0.081 0.000 0.807 309 E CB 0.098 29.956 29.700 0.263 0.000 0.761 309 E HN 0.653 nan 8.360 nan 0.000 0.454 310 E N 0.457 120.687 120.200 0.050 0.000 2.153 310 E HA -0.163 4.182 4.350 -0.009 0.000 0.194 310 E C 1.917 178.494 176.600 -0.038 0.000 0.988 310 E CA 0.838 57.252 56.400 0.022 0.000 0.811 310 E CB -0.032 29.693 29.700 0.042 0.000 0.746 310 E HN 0.367 nan 8.360 nan 0.000 0.466 311 E N 0.149 120.296 120.200 -0.089 0.000 2.204 311 E HA -0.129 4.216 4.350 -0.009 0.000 0.194 311 E C 1.284 177.772 176.600 -0.187 0.000 0.989 311 E CA 0.578 56.897 56.400 -0.135 0.000 0.824 311 E CB 0.185 29.784 29.700 -0.167 0.000 0.756 311 E HN 0.119 nan 8.360 nan 0.000 0.477 312 L N -0.444 120.642 121.223 -0.229 0.000 2.616 312 L HA 0.199 4.534 4.340 -0.009 0.000 0.229 312 L C 1.883 178.701 176.870 -0.087 0.000 1.110 312 L CA 0.314 55.043 54.840 -0.184 0.000 0.884 312 L CB 0.131 42.045 42.059 -0.242 0.000 1.115 312 L HN -0.010 nan 8.230 nan 0.000 0.481 313 A N -0.223 122.557 122.820 -0.068 0.000 2.070 313 A HA -0.191 4.123 4.320 -0.009 0.000 0.220 313 A C 2.251 179.810 177.584 -0.042 0.000 1.159 313 A CA 1.371 53.383 52.037 -0.042 0.000 0.656 313 A CB -0.317 18.666 19.000 -0.028 0.000 0.800 313 A HN 0.371 nan 8.150 nan 0.000 0.453 314 K N 0.030 120.401 120.400 -0.048 0.000 2.147 314 K HA -0.117 4.198 4.320 -0.009 0.000 0.205 314 K C 0.261 176.828 176.600 -0.056 0.000 1.049 314 K CA 0.729 56.988 56.287 -0.048 0.000 0.936 314 K CB -0.228 32.244 32.500 -0.047 0.000 0.722 314 K HN 0.405 nan 8.250 nan 0.000 0.446 315 D N 1.619 121.984 120.400 -0.058 0.000 2.426 315 D HA -0.031 4.604 4.640 -0.009 0.000 0.261 315 D C -1.497 174.752 176.300 -0.085 0.000 1.245 315 D CA -1.719 52.236 54.000 -0.074 0.000 0.917 315 D CB 1.026 41.796 40.800 -0.051 0.000 1.123 315 D HN -0.015 nan 8.370 nan 0.000 0.508 316 P HA -0.180 nan 4.420 nan 0.000 0.218 316 P C 1.165 178.383 177.300 -0.136 0.000 1.148 316 P CA 1.019 64.051 63.100 -0.113 0.000 0.822 316 P CB 0.341 31.963 31.700 -0.130 0.000 0.784 317 R N -0.406 119.952 120.500 -0.236 0.000 2.073 317 R HA -0.082 4.253 4.340 -0.009 0.000 0.234 317 R C 2.473 178.748 176.300 -0.042 0.000 1.134 317 R CA 1.272 57.163 56.100 -0.347 0.000 0.952 317 R CB -0.827 28.893 30.300 -0.966 0.000 0.850 317 R HN 0.171 nan 8.270 nan 0.000 0.433 318 I N 1.037 121.637 120.570 0.051 0.000 2.264 318 I HA -0.231 3.934 4.170 -0.009 0.000 0.248 318 I C 2.551 178.702 176.117 0.058 0.000 1.111 318 I CA 1.413 62.800 61.300 0.145 0.000 1.382 318 I CB -1.459 36.597 38.000 0.094 0.000 1.060 318 I HN 0.176 nan 8.210 nan 0.000 0.418 319 A N 1.076 123.897 122.820 0.002 0.000 1.902 319 A HA -0.103 4.212 4.320 -0.009 0.000 0.217 319 A C 2.580 180.159 177.584 -0.007 0.000 1.181 319 A CA 2.052 54.079 52.037 -0.016 0.000 0.623 319 A CB -0.732 18.247 19.000 -0.035 0.000 0.818 319 A HN 0.427 nan 8.150 nan 0.000 0.443 320 A N -1.209 121.611 122.820 -0.000 0.000 1.969 320 A HA -0.020 4.295 4.320 -0.009 0.000 0.218 320 A C 2.267 179.876 177.584 0.042 0.000 1.169 320 A CA 2.112 54.156 52.037 0.011 0.000 0.635 320 A CB -1.138 17.866 19.000 0.007 0.000 0.810 320 A HN 0.426 nan 8.150 nan 0.000 0.445 321 T N 0.251 114.859 114.554 0.090 0.000 2.652 321 T HA -0.163 4.182 4.350 -0.009 0.000 0.267 321 T C 1.940 176.665 174.700 0.041 0.000 1.039 321 T CA 1.752 63.913 62.100 0.102 0.000 1.153 321 T CB -0.265 68.701 68.868 0.164 0.000 0.863 321 T HN 0.282 nan 8.240 nan 0.000 0.428 322 M N 0.963 120.571 119.600 0.014 0.000 2.213 322 M HA 0.001 4.476 4.480 -0.009 0.000 0.263 322 M C 2.216 178.495 176.300 -0.035 0.000 1.062 322 M CA 1.177 56.457 55.300 -0.033 0.000 1.105 322 M CB -1.058 31.506 32.600 -0.060 0.000 1.385 322 M HN 0.383 nan 8.290 nan 0.000 0.417 323 E N 0.351 120.539 120.200 -0.020 0.000 2.028 323 E HA -0.183 4.161 4.350 -0.009 0.000 0.191 323 E C 1.802 178.394 176.600 -0.013 0.000 0.988 323 E CA 1.022 57.409 56.400 -0.022 0.000 0.799 323 E CB 0.169 29.858 29.700 -0.019 0.000 0.755 323 E HN 0.429 nan 8.360 nan 0.000 0.447 324 N N 0.471 119.172 118.700 0.001 0.000 2.104 324 N HA -0.171 4.563 4.740 -0.009 0.000 0.190 324 N C 1.705 177.226 175.510 0.018 0.000 1.024 324 N CA 1.322 54.378 53.050 0.009 0.000 0.853 324 N CB -0.405 38.091 38.487 0.015 0.000 1.008 324 N HN 0.213 nan 8.380 nan 0.000 0.424 325 A N 0.768 123.599 122.820 0.020 0.000 1.972 325 A HA -0.184 4.131 4.320 -0.009 0.000 0.219 325 A C 2.237 179.822 177.584 0.002 0.000 1.169 325 A CA 1.425 53.481 52.037 0.031 0.000 0.635 325 A CB -0.535 18.473 19.000 0.013 0.000 0.810 325 A HN 0.230 nan 8.150 nan 0.000 0.446 326 Q N -0.098 119.685 119.800 -0.030 0.000 2.119 326 Q HA -0.056 4.279 4.340 -0.009 0.000 0.201 326 Q C 1.715 177.708 176.000 -0.013 0.000 0.972 326 Q CA 1.738 57.515 55.803 -0.043 0.000 0.847 326 Q CB -0.119 28.587 28.738 -0.052 0.000 0.903 326 Q HN 0.691 nan 8.270 nan 0.000 0.433 327 K N -0.809 119.590 120.400 -0.003 0.000 2.459 327 K HA 0.154 4.469 4.320 -0.009 0.000 0.193 327 K C 0.741 177.349 176.600 0.014 0.000 1.030 327 K CA 0.370 56.658 56.287 0.003 0.000 1.026 327 K CB 0.495 32.994 32.500 -0.001 0.000 0.809 327 K HN 0.157 nan 8.250 nan 0.000 0.504 328 G N 0.915 109.735 108.800 0.033 0.000 2.583 328 G HA2 0.267 4.222 3.960 -0.009 0.000 0.280 328 G HA3 0.267 4.222 3.960 -0.009 0.000 0.280 328 G C -1.158 173.797 174.900 0.092 0.000 1.376 328 G CA -0.269 44.863 45.100 0.053 0.000 1.043 328 G HN -0.004 nan 8.290 nan 0.000 0.538 329 E N -1.020 119.260 120.200 0.134 0.000 2.256 329 E HA 0.394 4.739 4.350 -0.009 0.000 0.268 329 E C -0.420 176.435 176.600 0.425 0.000 0.877 329 E CA -0.683 55.849 56.400 0.219 0.000 0.757 329 E CB 1.925 31.723 29.700 0.164 0.000 1.183 329 E HN 0.427 nan 8.360 nan 0.000 0.418 330 I N 4.229 125.052 120.570 0.423 0.000 2.710 330 I HA 0.040 4.204 4.170 -0.009 0.000 0.286 330 I C -0.043 176.408 176.117 0.556 0.000 1.181 330 I CA 0.023 61.615 61.300 0.488 0.000 1.430 330 I CB 0.333 38.542 38.000 0.348 0.000 1.367 330 I HN 0.612 nan 8.210 nan 0.000 0.577 331 M N 8.968 128.891 119.600 0.539 0.000 2.239 331 M HA 0.205 4.680 4.480 -0.009 0.000 0.348 331 M C -2.154 174.221 176.300 0.126 0.000 1.239 331 M CA -1.315 54.045 55.300 0.100 0.000 1.114 331 M CB -0.069 32.406 32.600 -0.208 0.000 1.641 331 M HN 0.366 nan 8.290 nan 0.000 0.453 332 P HA 0.032 nan 4.420 nan 0.000 0.269 332 P C -0.391 176.810 177.300 -0.165 0.000 1.215 332 P CA -0.065 62.883 63.100 -0.254 0.000 0.780 332 P CB 0.343 31.548 31.700 -0.826 0.000 0.898 333 N N 2.008 120.695 118.700 -0.022 0.000 2.238 333 N HA 0.042 4.777 4.740 -0.009 0.000 0.222 333 N C 0.332 175.813 175.510 -0.048 0.000 1.133 333 N CA -0.281 52.767 53.050 -0.002 0.000 0.854 333 N CB -0.732 37.855 38.487 0.168 0.000 1.041 333 N HN 0.396 nan 8.380 nan 0.000 0.510 334 I N -2.651 117.862 120.570 -0.094 0.000 2.836 334 I HA 0.272 4.437 4.170 -0.009 0.000 0.285 334 I C -1.576 174.446 176.117 -0.159 0.000 1.174 334 I CA -1.650 59.610 61.300 -0.067 0.000 1.405 334 I CB 0.460 38.361 38.000 -0.166 0.000 1.385 334 I HN -0.298 nan 8.210 nan 0.000 0.594 335 P HA -0.141 nan 4.420 nan 0.000 0.221 335 P C 0.914 178.144 177.300 -0.118 0.000 1.145 335 P CA 1.293 64.306 63.100 -0.145 0.000 0.795 335 P CB 0.041 31.683 31.700 -0.096 0.000 0.775 336 Q N -2.214 117.488 119.800 -0.163 0.000 2.482 336 Q HA 0.050 4.384 4.340 -0.009 0.000 0.209 336 Q C 1.743 177.749 176.000 0.010 0.000 0.961 336 Q CA 0.650 56.378 55.803 -0.124 0.000 0.945 336 Q CB -0.663 27.881 28.738 -0.323 0.000 1.012 336 Q HN 0.151 nan 8.270 nan 0.000 0.515 337 M N -0.214 119.359 119.600 -0.044 0.000 2.086 337 M HA -0.160 4.314 4.480 -0.009 0.000 0.261 337 M C 2.090 178.479 176.300 0.149 0.000 1.067 337 M CA 1.993 57.300 55.300 0.011 0.000 1.116 337 M CB -1.277 31.293 32.600 -0.050 0.000 1.348 337 M HN 0.346 nan 8.290 nan 0.000 0.407 338 S N 0.327 116.120 115.700 0.155 0.000 2.370 338 S HA -0.122 4.343 4.470 -0.009 0.000 0.226 338 S C 2.135 176.861 174.600 0.210 0.000 1.033 338 S CA 1.504 59.832 58.200 0.214 0.000 1.011 338 S CB -0.936 62.309 63.200 0.075 0.000 0.852 338 S HN 0.447 nan 8.310 nan 0.000 0.457 339 A N 1.364 124.276 122.820 0.154 0.000 1.940 339 A HA 0.025 4.340 4.320 -0.009 0.000 0.219 339 A C 1.982 179.696 177.584 0.218 0.000 1.176 339 A CA 1.607 53.742 52.037 0.164 0.000 0.631 339 A CB -1.121 17.961 19.000 0.137 0.000 0.814 339 A HN 0.650 nan 8.150 nan 0.000 0.446 340 F N -0.855 119.122 119.950 0.046 0.000 2.075 340 F HA -0.168 4.354 4.527 -0.008 0.000 0.297 340 F C 2.026 177.756 175.800 -0.116 0.000 1.113 340 F CA 1.625 59.540 58.000 -0.142 0.000 1.218 340 F CB -0.690 38.093 39.000 -0.361 0.000 0.984 340 F HN 0.384 nan 8.300 nan 0.000 0.472 341 W N -1.027 120.120 121.300 -0.256 0.000 2.358 341 W HA -0.230 4.424 4.660 -0.010 0.000 0.303 341 W C 2.510 178.910 176.519 -0.198 0.000 1.208 341 W CA 1.323 58.460 57.345 -0.346 0.000 1.274 341 W CB -0.888 28.524 29.460 -0.079 0.000 1.138 341 W HN 0.244 nan 8.180 nan 0.000 0.515 342 Y N 1.106 121.450 120.300 0.074 0.000 2.163 342 Y HA -0.208 4.337 4.550 -0.008 0.000 0.288 342 Y C 2.323 178.210 175.900 -0.022 0.000 1.136 342 Y CA 2.107 60.223 58.100 0.028 0.000 1.147 342 Y CB -0.876 37.599 38.460 0.026 0.000 0.987 342 Y HN -0.098 nan 8.280 nan 0.000 0.509 343 A N -0.144 122.701 122.820 0.042 0.000 1.865 343 A HA -0.205 4.110 4.320 -0.009 0.000 0.217 343 A C 2.315 179.788 177.584 -0.184 0.000 1.191 343 A CA 2.495 54.493 52.037 -0.064 0.000 0.623 343 A CB -1.425 17.583 19.000 0.012 0.000 0.826 343 A HN 0.363 nan 8.150 nan 0.000 0.444 344 V N 0.035 119.793 119.914 -0.259 0.000 2.307 344 V HA -0.250 3.865 4.120 -0.009 0.000 0.245 344 V C 2.640 178.681 176.094 -0.088 0.000 1.045 344 V CA 2.172 64.360 62.300 -0.187 0.000 1.024 344 V CB -0.870 30.748 31.823 -0.341 0.000 0.651 344 V HN 0.620 nan 8.190 nan 0.000 0.449 345 R N 0.097 120.544 120.500 -0.088 0.000 2.112 345 R HA -0.227 4.107 4.340 -0.009 0.000 0.242 345 R C 2.350 178.574 176.300 -0.127 0.000 1.137 345 R CA 2.529 58.596 56.100 -0.056 0.000 0.944 345 R CB -0.712 29.554 30.300 -0.058 0.000 0.857 345 R HN 0.586 nan 8.270 nan 0.000 0.435 346 T N 0.842 115.230 114.554 -0.276 0.000 2.746 346 T HA -0.117 4.228 4.350 -0.009 0.000 0.267 346 T C 1.859 176.480 174.700 -0.132 0.000 1.039 346 T CA 1.312 63.254 62.100 -0.263 0.000 1.142 346 T CB -0.417 68.192 68.868 -0.432 0.000 0.866 346 T HN 0.475 nan 8.240 nan 0.000 0.444 347 A N 1.571 124.326 122.820 -0.109 0.000 1.852 347 A HA -0.150 4.165 4.320 -0.009 0.000 0.217 347 A C 2.606 180.177 177.584 -0.022 0.000 1.215 347 A CA 2.172 54.182 52.037 -0.046 0.000 0.641 347 A CB -1.375 17.610 19.000 -0.025 0.000 0.838 347 A HN 0.317 nan 8.150 nan 0.000 0.450 348 V N 0.225 120.139 119.914 0.000 0.000 2.278 348 V HA -0.337 3.778 4.120 -0.009 0.000 0.251 348 V C 2.458 178.554 176.094 0.002 0.000 1.062 348 V CA 2.302 64.615 62.300 0.021 0.000 1.038 348 V CB -0.827 31.035 31.823 0.066 0.000 0.646 348 V HN 0.568 nan 8.190 nan 0.000 0.447 349 I N 0.269 120.831 120.570 -0.013 0.000 2.226 349 I HA -0.231 3.934 4.170 -0.009 0.000 0.245 349 I C 2.369 178.473 176.117 -0.022 0.000 1.100 349 I CA 1.551 62.838 61.300 -0.022 0.000 1.374 349 I CB -0.447 37.532 38.000 -0.034 0.000 1.057 349 I HN 0.382 nan 8.210 nan 0.000 0.413 350 N N 0.927 119.612 118.700 -0.026 0.000 2.216 350 N HA -0.073 4.662 4.740 -0.009 0.000 0.183 350 N C 1.860 177.362 175.510 -0.013 0.000 1.017 350 N CA 1.466 54.505 53.050 -0.018 0.000 0.861 350 N CB -0.332 38.145 38.487 -0.018 0.000 0.986 350 N HN 0.326 nan 8.380 nan 0.000 0.428 351 A N 1.006 123.819 122.820 -0.011 0.000 1.873 351 A HA 0.065 4.380 4.320 -0.009 0.000 0.215 351 A C 2.325 179.902 177.584 -0.011 0.000 1.186 351 A CA 1.862 53.894 52.037 -0.008 0.000 0.616 351 A CB -0.927 18.070 19.000 -0.005 0.000 0.823 351 A HN 0.285 nan 8.150 nan 0.000 0.442 352 A N 0.281 123.094 122.820 -0.012 0.000 1.978 352 A HA -0.078 4.237 4.320 -0.009 0.000 0.220 352 A C 2.286 179.858 177.584 -0.020 0.000 1.170 352 A CA 2.154 54.180 52.037 -0.017 0.000 0.636 352 A CB -0.833 18.155 19.000 -0.020 0.000 0.810 352 A HN 1.066 nan 8.150 nan 0.000 0.448 353 S N -1.672 114.017 115.700 -0.018 0.000 2.631 353 S HA 0.370 4.834 4.470 -0.009 0.000 0.217 353 S C 1.406 175.997 174.600 -0.015 0.000 0.958 353 S CA 0.955 59.144 58.200 -0.018 0.000 0.920 353 S CB -0.550 62.640 63.200 -0.017 0.000 0.776 353 S HN 1.863 nan 8.310 nan 0.000 0.517 354 G N 2.113 110.904 108.800 -0.015 0.000 2.186 354 G HA2 -0.409 3.546 3.960 -0.009 0.000 0.266 354 G HA3 -0.409 3.546 3.960 -0.009 0.000 0.266 354 G C 0.802 175.695 174.900 -0.011 0.000 0.982 354 G CA 0.605 45.697 45.100 -0.013 0.000 0.670 354 G HN 0.613 nan 8.290 nan 0.000 0.533 355 R N -0.200 120.294 120.500 -0.010 0.000 2.280 355 R HA 0.177 4.511 4.340 -0.009 0.000 0.207 355 R C 0.862 177.157 176.300 -0.007 0.000 1.043 355 R CA 1.227 57.323 56.100 -0.007 0.000 1.006 355 R CB 0.043 30.340 30.300 -0.005 0.000 0.885 355 R HN 0.581 nan 8.270 nan 0.000 0.467 356 Q N -0.457 119.339 119.800 -0.007 0.000 2.377 356 Q HA 0.155 4.490 4.340 -0.009 0.000 0.279 356 Q C -1.250 174.747 176.000 -0.004 0.000 1.049 356 Q CA -0.719 55.081 55.803 -0.006 0.000 0.825 356 Q CB 2.466 31.201 28.738 -0.004 0.000 1.401 356 Q HN 0.189 nan 8.270 nan 0.000 0.404 357 T N -2.020 112.533 114.554 -0.002 0.000 2.919 357 T HA 0.151 4.496 4.350 -0.009 0.000 0.302 357 T C 1.345 176.047 174.700 0.003 0.000 1.031 357 T CA -0.601 61.499 62.100 0.001 0.000 1.127 357 T CB 0.769 69.639 68.868 0.003 0.000 0.952 357 T HN 0.356 nan 8.240 nan 0.000 0.540 358 V N 2.049 121.965 119.914 0.004 0.000 2.317 358 V HA -0.210 3.905 4.120 -0.009 0.000 0.251 358 V C 2.384 178.484 176.094 0.010 0.000 1.065 358 V CA 2.235 64.539 62.300 0.006 0.000 1.049 358 V CB -0.720 31.107 31.823 0.007 0.000 0.651 358 V HN 0.888 nan 8.190 nan 0.000 0.450 359 D N 0.125 120.532 120.400 0.012 0.000 2.144 359 D HA -0.084 4.551 4.640 -0.009 0.000 0.200 359 D C 2.173 178.483 176.300 0.018 0.000 0.978 359 D CA 1.580 55.590 54.000 0.017 0.000 0.833 359 D CB -0.225 40.585 40.800 0.018 0.000 0.961 359 D HN 0.499 nan 8.370 nan 0.000 0.470 360 A N 1.031 123.860 122.820 0.014 0.000 1.898 360 A HA 0.141 4.455 4.320 -0.009 0.000 0.214 360 A C 2.310 179.903 177.584 0.015 0.000 1.183 360 A CA 1.614 53.660 52.037 0.015 0.000 0.622 360 A CB -0.592 18.413 19.000 0.008 0.000 0.824 360 A HN 0.204 nan 8.150 nan 0.000 0.444 361 A N -0.131 122.694 122.820 0.009 0.000 1.902 361 A HA -0.044 4.271 4.320 -0.009 0.000 0.217 361 A C 2.071 179.660 177.584 0.009 0.000 1.181 361 A CA 1.531 53.571 52.037 0.005 0.000 0.623 361 A CB -0.565 18.434 19.000 -0.000 0.000 0.818 361 A HN 0.461 nan 8.150 nan 0.000 0.443 362 L N -1.196 120.036 121.223 0.014 0.000 2.418 362 L HA -0.015 4.319 4.340 -0.009 0.000 0.218 362 L C 2.891 179.775 176.870 0.024 0.000 1.125 362 L CA 0.552 55.404 54.840 0.019 0.000 0.835 362 L CB -0.387 41.684 42.059 0.019 0.000 0.953 362 L HN 0.437 nan 8.230 nan 0.000 0.454 363 A N 0.391 123.228 122.820 0.027 0.000 1.872 363 A HA -0.073 4.242 4.320 -0.009 0.000 0.214 363 A C 2.544 180.153 177.584 0.042 0.000 1.187 363 A CA 1.492 53.552 52.037 0.038 0.000 0.614 363 A CB -0.516 18.508 19.000 0.040 0.000 0.826 363 A HN 0.338 nan 8.150 nan 0.000 0.442 364 A N -0.096 122.746 122.820 0.037 0.000 1.930 364 A HA 0.208 4.523 4.320 -0.009 0.000 0.217 364 A C 2.464 180.073 177.584 0.042 0.000 1.175 364 A CA 1.883 53.946 52.037 0.044 0.000 0.627 364 A CB -0.953 18.071 19.000 0.040 0.000 0.815 364 A HN 1.035 nan 8.150 nan 0.000 0.443 365 A N -0.781 122.053 122.820 0.024 0.000 1.978 365 A HA -0.205 4.110 4.320 -0.009 0.000 0.220 365 A C 2.124 179.725 177.584 0.028 0.000 1.170 365 A CA 2.155 54.201 52.037 0.014 0.000 0.636 365 A CB -0.480 18.516 19.000 -0.006 0.000 0.810 365 A HN 0.559 nan 8.150 nan 0.000 0.448 366 Q N -0.240 119.578 119.800 0.031 0.000 2.020 366 Q HA -0.131 4.204 4.340 -0.009 0.000 0.202 366 Q C 2.062 178.092 176.000 0.049 0.000 0.982 366 Q CA 2.796 58.618 55.803 0.031 0.000 0.838 366 Q CB -0.973 27.787 28.738 0.036 0.000 0.899 366 Q HN 0.548 nan 8.270 nan 0.000 0.423 367 T N 1.077 115.661 114.554 0.051 0.000 2.674 367 T HA -0.118 4.226 4.350 -0.009 0.000 0.265 367 T C 1.561 176.293 174.700 0.053 0.000 1.039 367 T CA 1.217 63.341 62.100 0.041 0.000 1.150 367 T CB -0.476 68.409 68.868 0.029 0.000 0.864 367 T HN 0.311 nan 8.240 nan 0.000 0.427 368 N N 1.657 120.402 118.700 0.076 0.000 2.036 368 N HA -0.140 4.594 4.740 -0.009 0.000 0.199 368 N C 2.056 177.641 175.510 0.125 0.000 1.036 368 N CA 1.790 54.910 53.050 0.117 0.000 0.870 368 N CB -0.814 37.780 38.487 0.178 0.000 1.055 368 N HN 0.442 nan 8.380 nan 0.000 0.436 369 A N -0.088 122.806 122.820 0.123 0.000 2.076 369 A HA 0.064 4.379 4.320 -0.009 0.000 0.220 369 A C 2.157 179.875 177.584 0.223 0.000 1.160 369 A CA 2.013 54.151 52.037 0.168 0.000 0.653 369 A CB -0.457 18.613 19.000 0.117 0.000 0.801 369 A HN 0.400 nan 8.150 nan 0.000 0.455 370 A N -1.858 121.056 122.820 0.158 0.000 2.014 370 A HA 0.594 4.909 4.320 -0.009 0.000 0.210 370 A C 1.944 179.584 177.584 0.093 0.000 1.188 370 A CA 1.311 53.447 52.037 0.165 0.000 0.731 370 A CB -0.136 18.941 19.000 0.127 0.000 0.858 370 A HN 1.092 nan 8.150 nan 0.000 0.464 371 A N -1.529 121.322 122.820 0.053 0.000 2.474 371 A HA 0.570 4.885 4.320 -0.009 0.000 0.221 371 A C 0.031 177.616 177.584 0.002 0.000 1.298 371 A CA 0.290 52.328 52.037 0.003 0.000 1.008 371 A CB 0.663 19.631 19.000 -0.053 0.000 1.217 371 A HN 0.295 nan 8.150 nan 0.000 0.553 372 V N 0.756 120.683 119.914 0.022 0.000 2.735 372 V HA 0.615 4.730 4.120 -0.009 0.000 0.310 372 V C -0.938 175.144 176.094 -0.020 0.000 1.061 372 V CA -0.722 61.581 62.300 0.005 0.000 0.913 372 V CB 1.943 33.777 31.823 0.019 0.000 1.005 372 V HN 0.272 nan 8.190 nan 0.000 0.428 373 K N 3.324 123.689 120.400 -0.059 0.000 2.545 373 K HA 0.636 4.950 4.320 -0.009 0.000 0.252 373 K C -1.517 174.977 176.600 -0.176 0.000 0.948 373 K CA -0.342 55.879 56.287 -0.111 0.000 0.827 373 K CB 1.724 34.187 32.500 -0.062 0.000 1.128 373 K HN 0.400 nan 8.250 nan 0.000 0.429 374 V N 3.623 123.329 119.914 -0.348 0.000 2.427 374 V HA 0.473 4.588 4.120 -0.009 0.000 0.286 374 V C -0.335 175.605 176.094 -0.257 0.000 1.034 374 V CA -0.687 61.396 62.300 -0.363 0.000 0.893 374 V CB 1.468 32.885 31.823 -0.677 0.000 0.982 374 V HN 0.780 nan 8.190 nan 0.000 0.452 375 E N 3.103 123.215 120.200 -0.146 0.000 2.218 375 E HA 0.427 4.772 4.350 -0.009 0.000 0.263 375 E C -1.540 175.025 176.600 -0.059 0.000 0.879 375 E CA -0.515 55.828 56.400 -0.096 0.000 0.762 375 E CB 1.467 31.128 29.700 -0.065 0.000 1.166 375 E HN 0.741 nan 8.360 nan 0.000 0.415 376 c N 6.260 124.828 118.600 -0.053 0.000 2.246 376 c HA 0.472 5.036 4.570 -0.009 0.000 0.329 376 c C 0.250 174.379 174.090 0.066 0.000 1.221 376 c CA -0.599 55.725 56.329 -0.008 0.000 1.697 376 c CB -1.094 41.340 42.510 -0.126 0.000 2.312 376 c HN 0.636 nan 8.230 nan 0.000 0.509 377 L N 1.878 123.166 121.223 0.108 0.000 2.421 377 L HA 0.432 4.767 4.340 -0.009 0.000 0.267 377 L C 1.689 178.640 176.870 0.135 0.000 1.036 377 L CA -0.575 54.325 54.840 0.100 0.000 0.829 377 L CB 0.383 42.459 42.059 0.030 0.000 1.437 377 L HN 0.605 nan 8.230 nan 0.000 0.488 378 E N 0.314 120.540 120.200 0.043 0.000 2.023 378 E HA -0.213 4.131 4.350 -0.009 0.000 0.196 378 E C 1.272 177.772 176.600 -0.167 0.000 1.003 378 E CA 1.987 58.362 56.400 -0.042 0.000 0.809 378 E CB 0.065 29.741 29.700 -0.041 0.000 0.755 378 E HN 0.695 nan 8.360 nan 0.000 0.449 379 A N -0.332 122.419 122.820 -0.115 0.000 2.508 379 A HA 0.221 4.536 4.320 -0.009 0.000 0.250 379 A C 0.242 177.766 177.584 -0.100 0.000 1.208 379 A CA -0.328 51.622 52.037 -0.145 0.000 0.960 379 A CB 0.534 19.481 19.000 -0.087 0.000 1.099 379 A HN 0.168 nan 8.150 nan 0.000 0.542 380 E N -0.484 119.682 120.200 -0.056 0.000 2.244 380 E HA 0.615 4.960 4.350 -0.009 0.000 0.266 380 E C -1.695 174.897 176.600 -0.014 0.000 0.914 380 E CA -0.670 55.708 56.400 -0.037 0.000 0.794 380 E CB 1.800 31.486 29.700 -0.023 0.000 1.210 380 E HN 0.235 nan 8.360 nan 0.000 0.414 381 L N 3.275 124.485 121.223 -0.022 0.000 2.365 381 L HA 0.540 4.875 4.340 -0.009 0.000 0.273 381 L C -1.750 175.117 176.870 -0.006 0.000 1.000 381 L CA -0.716 54.117 54.840 -0.010 0.000 0.819 381 L CB 1.961 44.007 42.059 -0.021 0.000 1.284 381 L HN 0.329 nan 8.230 nan 0.000 0.418 382 V N 5.168 125.076 119.914 -0.010 0.000 2.444 382 V HA 0.579 4.693 4.120 -0.009 0.000 0.294 382 V C -0.677 175.414 176.094 -0.004 0.000 1.022 382 V CA -0.679 61.623 62.300 0.003 0.000 0.850 382 V CB 1.695 33.511 31.823 -0.011 0.000 0.992 382 V HN 0.517 nan 8.190 nan 0.000 0.426 383 V N 3.540 123.488 119.914 0.056 0.000 2.409 383 V HA 0.486 4.601 4.120 -0.009 0.000 0.291 383 V C 0.161 176.337 176.094 0.137 0.000 1.020 383 V CA -0.293 62.039 62.300 0.053 0.000 0.848 383 V CB 1.932 33.762 31.823 0.011 0.000 0.990 383 V HN 0.911 nan 8.190 nan 0.000 0.430 384 T N 4.676 119.263 114.554 0.054 0.000 2.771 384 T HA 0.606 4.951 4.350 -0.009 0.000 0.281 384 T C -0.275 174.459 174.700 0.056 0.000 0.982 384 T CA -0.366 61.767 62.100 0.055 0.000 0.978 384 T CB 1.484 70.354 68.868 0.003 0.000 0.930 384 T HN 0.384 nan 8.240 nan 0.000 0.447 385 V N 2.654 122.620 119.914 0.087 0.000 2.495 385 V HA 0.476 4.591 4.120 -0.009 0.000 0.298 385 V C 0.497 176.597 176.094 0.011 0.000 1.031 385 V CA -0.999 61.337 62.300 0.061 0.000 0.871 385 V CB 1.834 33.737 31.823 0.133 0.000 0.988 385 V HN 0.915 nan 8.190 nan 0.000 0.432 386 S N 3.861 119.548 115.700 -0.021 0.000 2.516 386 S HA 0.185 4.650 4.470 -0.009 0.000 0.282 386 S C 1.347 175.907 174.600 -0.068 0.000 1.286 386 S CA -0.251 57.926 58.200 -0.038 0.000 1.066 386 S CB 0.262 63.440 63.200 -0.038 0.000 0.884 386 S HN 0.710 nan 8.310 nan 0.000 0.491 387 R N 2.665 123.136 120.500 -0.048 0.000 2.092 387 R HA -0.056 4.279 4.340 -0.009 0.000 0.231 387 R C 0.397 176.656 176.300 -0.069 0.000 1.119 387 R CA 1.102 57.170 56.100 -0.053 0.000 0.970 387 R CB -0.218 30.070 30.300 -0.020 0.000 0.864 387 R HN 0.601 nan 8.270 nan 0.000 0.440 388 D N 1.293 121.665 120.400 -0.047 0.000 2.671 388 D HA -0.036 4.598 4.640 -0.009 0.000 0.228 388 D C 0.944 177.181 176.300 -0.105 0.000 1.102 388 D CA -0.080 53.902 54.000 -0.029 0.000 1.044 388 D CB 0.244 41.047 40.800 0.005 0.000 1.113 388 D HN -0.047 nan 8.370 nan 0.000 0.480 389 L N 1.505 122.561 121.223 -0.279 0.000 2.083 389 L HA -0.057 4.278 4.340 -0.009 0.000 0.209 389 L C 1.209 177.753 176.870 -0.543 0.000 1.083 389 L CA 1.823 56.330 54.840 -0.555 0.000 0.752 389 L CB -0.383 41.045 42.059 -1.051 0.000 0.899 389 L HN 0.254 nan 8.230 nan 0.000 0.433 390 F N -0.851 119.092 119.950 -0.012 0.000 2.746 390 F HA 0.424 4.945 4.527 -0.009 0.000 0.297 390 F C 1.894 177.709 175.800 0.026 0.000 1.113 390 F CA 0.395 58.403 58.000 0.013 0.000 1.367 390 F CB -0.416 38.592 39.000 0.014 0.000 1.111 390 F HN 0.109 nan 8.300 nan 0.000 0.590 391 G N 0.083 108.975 108.800 0.153 0.000 2.141 391 G HA2 -0.303 3.651 3.960 -0.009 0.000 0.242 391 G HA3 -0.303 3.651 3.960 -0.009 0.000 0.242 391 G C 1.013 175.984 174.900 0.119 0.000 0.982 391 G CA 0.680 45.847 45.100 0.113 0.000 0.662 391 G HN 0.287 nan 8.290 nan 0.000 0.527 392 T N -0.283 114.365 114.554 0.158 0.000 3.023 392 T HA 0.351 4.696 4.350 -0.009 0.000 0.266 392 T C 2.370 177.121 174.700 0.086 0.000 1.093 392 T CA 2.039 64.208 62.100 0.115 0.000 1.129 392 T CB -0.117 68.821 68.868 0.117 0.000 0.899 392 T HN 2.018 nan 8.240 nan 0.000 0.491 393 G N 1.453 110.305 108.800 0.088 0.000 2.194 393 G HA2 -0.235 3.719 3.960 -0.009 0.000 0.236 393 G HA3 -0.235 3.719 3.960 -0.009 0.000 0.236 393 G C 0.181 175.121 174.900 0.066 0.000 0.987 393 G CA -0.002 45.136 45.100 0.063 0.000 0.635 393 G HN 0.537 nan 8.290 nan 0.000 0.520 394 K N 1.701 122.157 120.400 0.093 0.000 2.273 394 K HA 0.539 4.853 4.320 -0.009 0.000 0.287 394 K C 0.798 177.464 176.600 0.109 0.000 1.089 394 K CA -0.634 55.711 56.287 0.096 0.000 0.909 394 K CB -0.096 32.466 32.500 0.103 0.000 1.123 394 K HN 0.289 nan 8.250 nan 0.000 0.473 395 L N 5.255 126.522 121.223 0.072 0.000 2.453 395 L HA 0.083 4.417 4.340 -0.009 0.000 0.272 395 L C 0.742 177.655 176.870 0.072 0.000 1.182 395 L CA -0.636 54.235 54.840 0.052 0.000 0.858 395 L CB 0.556 42.635 42.059 0.033 0.000 1.120 395 L HN 0.408 nan 8.230 nan 0.000 0.474 396 V N 1.342 121.282 119.914 0.043 0.000 3.133 396 V HA 0.246 4.361 4.120 -0.009 0.000 0.305 396 V C 0.019 176.174 176.094 0.102 0.000 1.084 396 V CA -0.737 61.615 62.300 0.086 0.000 1.089 396 V CB 0.927 32.704 31.823 -0.076 0.000 1.073 396 V HN 0.824 nan 8.190 nan 0.000 0.477 397 Q N 2.631 122.529 119.800 0.163 0.000 2.235 397 Q HA 0.390 4.725 4.340 -0.009 0.000 0.256 397 Q C -1.926 174.148 176.000 0.122 0.000 0.951 397 Q CA -1.810 54.060 55.803 0.113 0.000 0.890 397 Q CB 1.857 30.655 28.738 0.100 0.000 1.279 397 Q HN 0.540 nan 8.270 nan 0.000 0.444 398 P HA -0.196 nan 4.420 nan 0.000 0.216 398 P C 1.090 178.446 177.300 0.095 0.000 1.153 398 P CA 1.505 64.632 63.100 0.046 0.000 0.858 398 P CB 0.084 31.768 31.700 -0.027 0.000 0.789 399 G N -0.582 108.263 108.800 0.075 0.000 2.470 399 G HA2 -0.215 3.739 3.960 -0.009 0.000 0.220 399 G HA3 -0.215 3.739 3.960 -0.009 0.000 0.220 399 G C 1.089 176.044 174.900 0.092 0.000 1.121 399 G CA 0.667 45.812 45.100 0.075 0.000 0.766 399 G HN 0.201 nan 8.290 nan 0.000 0.553 400 D N -0.142 120.330 120.400 0.119 0.000 2.323 400 D HA 0.089 4.724 4.640 -0.009 0.000 0.209 400 D C 1.156 177.548 176.300 0.154 0.000 0.973 400 D CA 0.114 54.163 54.000 0.082 0.000 0.874 400 D CB 0.297 41.144 40.800 0.079 0.000 0.930 400 D HN 0.236 nan 8.370 nan 0.000 0.521 401 L N 0.354 121.737 121.223 0.266 0.000 2.357 401 L HA 0.337 4.671 4.340 -0.009 0.000 0.273 401 L C 0.021 177.047 176.870 0.260 0.000 1.080 401 L CA 0.115 55.148 54.840 0.323 0.000 0.803 401 L CB 1.591 43.951 42.059 0.501 0.000 1.174 401 L HN -0.258 nan 8.230 nan 0.000 0.443 402 T N 3.317 117.937 114.554 0.110 0.000 3.071 402 T HA 0.344 4.689 4.350 -0.009 0.000 0.311 402 T C -1.060 173.521 174.700 -0.198 0.000 1.042 402 T CA -0.433 61.680 62.100 0.022 0.000 1.028 402 T CB 1.770 70.681 68.868 0.072 0.000 1.068 402 T HN 0.198 nan 8.240 nan 0.000 0.451 403 L N 3.901 124.923 121.223 -0.334 0.000 2.265 403 L HA 0.710 5.045 4.340 -0.009 0.000 0.289 403 L C 0.771 177.379 176.870 -0.436 0.000 1.033 403 L CA 1.161 55.713 54.840 -0.481 0.000 0.814 403 L CB -0.132 41.576 42.059 -0.586 0.000 1.203 403 L HN 1.042 nan 8.230 nan 0.000 0.423 404 G N 3.377 111.704 108.800 -0.789 0.000 2.697 404 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.240 404 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.240 404 G C -0.112 174.470 174.900 -0.530 0.000 1.346 404 G CA -0.168 44.334 45.100 -0.996 0.000 0.887 404 G HN 1.131 nan 8.290 nan 0.000 0.569 405 S N -1.179 114.378 115.700 -0.239 0.000 2.632 405 S HA 0.481 4.946 4.470 -0.009 0.000 0.267 405 S C 1.352 175.951 174.600 -0.001 0.000 1.193 405 S CA 0.767 58.983 58.200 0.025 0.000 1.003 405 S CB 1.299 64.554 63.200 0.093 0.000 1.073 405 S HN 1.093 nan 8.310 nan 0.000 0.553 406 E N 0.504 120.726 120.200 0.036 0.000 2.160 406 E HA -0.121 4.223 4.350 -0.009 0.000 0.195 406 E C 1.925 178.528 176.600 0.006 0.000 0.991 406 E CA 1.159 57.574 56.400 0.024 0.000 0.810 406 E CB -0.977 28.743 29.700 0.033 0.000 0.742 406 E HN 0.849 nan 8.360 nan 0.000 0.466 407 G N 0.566 109.366 108.800 -0.000 0.000 2.443 407 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.219 407 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.219 407 G C 0.608 175.486 174.900 -0.037 0.000 1.131 407 G CA 0.439 45.533 45.100 -0.010 0.000 0.775 407 G HN 0.380 nan 8.290 nan 0.000 0.547 408 c N 1.889 120.454 118.600 -0.059 0.000 2.610 408 c HA 0.447 5.011 4.570 -0.009 0.000 0.382 408 c C 0.356 174.416 174.090 -0.049 0.000 1.287 408 c CA -0.507 55.771 56.329 -0.085 0.000 1.640 408 c CB -1.289 41.140 42.510 -0.135 0.000 2.335 408 c HN 0.488 nan 8.230 nan 0.000 0.577 409 Q N 6.271 126.045 119.800 -0.042 0.000 2.700 409 Q HA 0.313 4.648 4.340 -0.009 0.000 0.249 409 Q C -2.196 173.803 176.000 -0.002 0.000 1.033 409 Q CA -1.113 54.684 55.803 -0.010 0.000 0.804 409 Q CB 1.172 29.904 28.738 -0.009 0.000 1.164 409 Q HN 0.650 nan 8.270 nan 0.000 0.500 410 P HA 0.165 nan 4.420 nan 0.000 0.278 410 P C -0.782 176.546 177.300 0.046 0.000 1.258 410 P CA -0.754 62.382 63.100 0.061 0.000 0.811 410 P CB 0.824 32.633 31.700 0.183 0.000 1.063 411 R N 1.256 121.766 120.500 0.016 0.000 2.216 411 R HA 0.322 4.656 4.340 -0.009 0.000 0.332 411 R C -1.214 175.039 176.300 -0.078 0.000 1.056 411 R CA -0.362 55.724 56.100 -0.024 0.000 0.901 411 R CB 0.070 30.354 30.300 -0.028 0.000 1.039 411 R HN 0.252 nan 8.270 nan 0.000 0.456 412 V N 4.077 123.912 119.914 -0.131 0.000 2.370 412 V HA 0.269 4.383 4.120 -0.009 0.000 0.279 412 V C -0.241 175.719 176.094 -0.224 0.000 1.029 412 V CA -0.405 61.720 62.300 -0.291 0.000 0.870 412 V CB 1.617 33.248 31.823 -0.320 0.000 0.984 412 V HN 0.787 nan 8.190 nan 0.000 0.451 413 S N 3.716 119.268 115.700 -0.247 0.000 2.503 413 S HA 0.776 5.241 4.470 -0.009 0.000 0.301 413 S C -0.565 173.932 174.600 -0.171 0.000 1.087 413 S CA -0.701 57.400 58.200 -0.164 0.000 1.042 413 S CB 2.100 65.230 63.200 -0.116 0.000 1.043 413 S HN 0.435 nan 8.310 nan 0.000 0.489 414 V N 2.931 122.775 119.914 -0.117 0.000 2.443 414 V HA 0.428 4.543 4.120 -0.009 0.000 0.293 414 V C -0.896 175.159 176.094 -0.064 0.000 1.021 414 V CA -0.827 61.415 62.300 -0.096 0.000 0.848 414 V CB 1.628 33.402 31.823 -0.081 0.000 0.998 414 V HN 0.775 nan 8.190 nan 0.000 0.424 415 D N 1.681 122.048 120.400 -0.055 0.000 2.549 415 D HA 0.358 4.993 4.640 -0.009 0.000 0.270 415 D C 1.550 177.833 176.300 -0.028 0.000 1.181 415 D CA 0.103 54.080 54.000 -0.038 0.000 1.070 415 D CB 1.114 41.893 40.800 -0.035 0.000 1.154 415 D HN 0.596 nan 8.370 nan 0.000 0.602 416 T N -2.266 112.276 114.554 -0.020 0.000 2.788 416 T HA -0.178 4.166 4.350 -0.009 0.000 0.268 416 T C 0.873 175.566 174.700 -0.011 0.000 1.044 416 T CA 1.519 63.611 62.100 -0.013 0.000 1.139 416 T CB -0.194 68.669 68.868 -0.009 0.000 0.867 416 T HN 0.424 nan 8.240 nan 0.000 0.454 417 D N 1.136 121.527 120.400 -0.014 0.000 2.423 417 D HA 0.188 4.823 4.640 -0.009 0.000 0.208 417 D C 0.793 177.082 176.300 -0.018 0.000 1.068 417 D CA 0.069 54.062 54.000 -0.012 0.000 0.860 417 D CB -0.096 40.698 40.800 -0.010 0.000 0.992 417 D HN 0.603 nan 8.370 nan 0.000 0.504 418 V N -2.649 117.251 119.914 -0.024 0.000 3.102 418 V HA 0.783 4.898 4.120 -0.009 0.000 0.312 418 V C -0.772 175.295 176.094 -0.045 0.000 1.135 418 V CA -1.123 61.161 62.300 -0.028 0.000 1.022 418 V CB 2.456 34.263 31.823 -0.026 0.000 1.056 418 V HN -0.173 nan 8.190 nan 0.000 0.436 419 V N 2.466 122.354 119.914 -0.045 0.000 2.531 419 V HA 0.630 4.744 4.120 -0.009 0.000 0.301 419 V C -0.147 175.861 176.094 -0.143 0.000 1.034 419 V CA -0.534 61.694 62.300 -0.120 0.000 0.865 419 V CB 1.660 33.413 31.823 -0.116 0.000 0.995 419 V HN 1.042 nan 8.190 nan 0.000 0.424 420 R N 3.929 124.284 120.500 -0.241 0.000 2.387 420 R HA 0.604 4.939 4.340 -0.009 0.000 0.314 420 R C -1.715 174.408 176.300 -0.294 0.000 0.958 420 R CA -0.469 55.542 56.100 -0.148 0.000 0.846 420 R CB 1.018 31.265 30.300 -0.087 0.000 1.147 420 R HN 0.514 nan 8.270 nan 0.000 0.447 421 F N 2.892 122.819 119.950 -0.038 0.000 2.415 421 F HA 0.362 4.885 4.527 -0.008 0.000 0.348 421 F C -0.105 175.666 175.800 -0.048 0.000 1.119 421 F CA -0.758 57.216 58.000 -0.042 0.000 1.069 421 F CB 1.648 40.620 39.000 -0.046 0.000 1.124 421 F HN 0.470 nan 8.300 nan 0.000 0.472 422 N N 2.521 121.275 118.700 0.090 0.000 2.501 422 N HA 0.640 5.375 4.740 -0.009 0.000 0.245 422 N C -1.020 174.508 175.510 0.031 0.000 0.974 422 N CA -0.387 52.687 53.050 0.040 0.000 0.941 422 N CB 1.513 40.000 38.487 -0.000 0.000 1.122 422 N HN 0.655 nan 8.380 nan 0.000 0.507 423 A N 1.615 124.442 122.820 0.012 0.000 2.365 423 A HA 0.533 4.848 4.320 -0.009 0.000 0.318 423 A C -0.663 176.875 177.584 -0.076 0.000 1.091 423 A CA -0.793 51.225 52.037 -0.031 0.000 0.763 423 A CB 0.994 19.970 19.000 -0.041 0.000 1.248 423 A HN 0.371 nan 8.150 nan 0.000 0.442 424 Q N 1.452 121.175 119.800 -0.129 0.000 2.296 424 Q HA 0.154 4.489 4.340 -0.009 0.000 0.262 424 Q C 0.782 176.642 176.000 -0.234 0.000 0.981 424 Q CA -0.422 55.272 55.803 -0.182 0.000 0.905 424 Q CB 1.293 29.857 28.738 -0.290 0.000 1.186 424 Q HN 0.734 nan 8.270 nan 0.000 0.399 425 L N 4.304 125.419 121.223 -0.181 0.000 2.042 425 L HA -0.230 4.104 4.340 -0.009 0.000 0.210 425 L C 2.369 179.133 176.870 -0.177 0.000 1.076 425 L CA 2.054 56.762 54.840 -0.221 0.000 0.749 425 L CB -0.794 41.041 42.059 -0.374 0.000 0.893 425 L HN 0.818 nan 8.230 nan 0.000 0.432 426 H N -1.294 117.697 119.070 -0.132 0.000 2.421 426 H HA -0.124 4.426 4.556 -0.009 0.000 0.298 426 H C 1.525 176.837 175.328 -0.027 0.000 1.087 426 H CA 1.650 57.662 56.048 -0.060 0.000 1.330 426 H CB -0.176 29.555 29.762 -0.053 0.000 1.388 426 H HN 0.520 nan 8.280 nan 0.000 0.526 427 E N -0.105 119.729 120.200 -0.610 0.000 2.299 427 E HA 0.028 4.373 4.350 -0.009 0.000 0.193 427 E C 1.298 177.789 176.600 -0.181 0.000 0.998 427 E CA 0.643 56.815 56.400 -0.379 0.000 0.851 427 E CB 0.315 29.744 29.700 -0.452 0.000 0.795 427 E HN 0.462 nan 8.360 nan 0.000 0.492 428 c N 0.297 118.799 118.600 -0.164 0.000 3.392 428 c HA 0.224 4.789 4.570 -0.009 0.000 0.301 428 c C 0.737 174.771 174.090 -0.095 0.000 1.354 428 c CA -0.445 55.801 56.329 -0.138 0.000 1.732 428 c CB 0.049 42.468 42.510 -0.153 0.000 2.269 428 c HN 0.051 nan 8.230 nan 0.000 0.673 429 S N 1.635 117.324 115.700 -0.019 0.000 2.455 429 S HA 0.123 4.588 4.470 -0.009 0.000 0.278 429 S C 1.064 175.697 174.600 0.056 0.000 1.216 429 S CA 0.006 58.246 58.200 0.066 0.000 1.055 429 S CB 1.098 64.429 63.200 0.218 0.000 0.939 429 S HN 0.510 nan 8.310 nan 0.000 0.494 430 S N 2.542 118.271 115.700 0.048 0.000 2.446 430 S HA 0.092 4.557 4.470 -0.009 0.000 0.225 430 S C 0.865 175.524 174.600 0.098 0.000 1.016 430 S CA 0.487 58.738 58.200 0.085 0.000 0.943 430 S CB 0.104 63.400 63.200 0.161 0.000 0.786 430 S HN 0.688 nan 8.310 nan 0.000 0.508 431 R N 0.897 121.454 120.500 0.096 0.000 2.548 431 R HA 0.485 4.820 4.340 -0.009 0.000 0.280 431 R C -1.760 174.569 176.300 0.048 0.000 1.061 431 R CA -0.448 55.694 56.100 0.070 0.000 0.915 431 R CB 1.603 31.945 30.300 0.069 0.000 1.210 431 R HN 0.100 nan 8.270 nan 0.000 0.442 432 V N 1.209 121.124 119.914 0.002 0.000 2.735 432 V HA 0.723 4.837 4.120 -0.009 0.000 0.310 432 V C -1.010 175.028 176.094 -0.094 0.000 1.061 432 V CA -0.622 61.620 62.300 -0.096 0.000 0.913 432 V CB 1.645 33.387 31.823 -0.135 0.000 1.005 432 V HN 0.987 nan 8.190 nan 0.000 0.428 433 Q N 3.777 123.498 119.800 -0.132 0.000 2.590 433 Q HA 0.751 5.086 4.340 -0.009 0.000 0.295 433 Q C -1.806 174.135 176.000 -0.098 0.000 0.973 433 Q CA -1.195 54.556 55.803 -0.086 0.000 0.768 433 Q CB 2.759 31.467 28.738 -0.051 0.000 1.479 433 Q HN 0.727 nan 8.270 nan 0.000 0.419 434 M N 1.920 121.483 119.600 -0.062 0.000 2.326 434 M HA 0.432 4.907 4.480 -0.009 0.000 0.306 434 M C -0.540 175.742 176.300 -0.031 0.000 1.054 434 M CA -0.748 54.523 55.300 -0.049 0.000 0.922 434 M CB 2.351 34.926 32.600 -0.041 0.000 1.632 434 M HN 0.993 nan 8.290 nan 0.000 0.436 435 T N -1.289 113.251 114.554 -0.024 0.000 2.893 435 T HA 0.454 4.799 4.350 -0.009 0.000 0.279 435 T C 0.973 175.668 174.700 -0.010 0.000 0.991 435 T CA -0.765 61.325 62.100 -0.016 0.000 0.950 435 T CB 1.279 70.138 68.868 -0.015 0.000 1.223 435 T HN 0.697 nan 8.240 nan 0.000 0.585 436 K N 0.418 120.813 120.400 -0.007 0.000 2.127 436 K HA -0.184 4.131 4.320 -0.009 0.000 0.208 436 K C 0.859 177.461 176.600 0.003 0.000 1.047 436 K CA 2.456 58.743 56.287 -0.001 0.000 0.927 436 K CB -0.273 32.228 32.500 0.002 0.000 0.716 436 K HN 0.713 nan 8.250 nan 0.000 0.450 437 D N -2.191 118.211 120.400 0.004 0.000 2.480 437 D HA 0.166 4.801 4.640 -0.009 0.000 0.243 437 D C -0.385 175.925 176.300 0.016 0.000 1.120 437 D CA -0.162 53.844 54.000 0.010 0.000 0.835 437 D CB 0.813 41.620 40.800 0.011 0.000 1.204 437 D HN 0.126 nan 8.370 nan 0.000 0.513 438 A N 0.855 123.682 122.820 0.012 0.000 2.414 438 A HA 0.701 5.015 4.320 -0.009 0.000 0.306 438 A C -1.286 176.305 177.584 0.012 0.000 1.054 438 A CA -0.725 51.327 52.037 0.024 0.000 0.724 438 A CB 1.116 20.123 19.000 0.012 0.000 1.267 438 A HN 0.118 nan 8.150 nan 0.000 0.418 439 L N 2.028 123.276 121.223 0.041 0.000 2.275 439 L HA 0.522 4.857 4.340 -0.009 0.000 0.288 439 L C -0.748 176.096 176.870 -0.043 0.000 1.046 439 L CA -0.849 53.966 54.840 -0.041 0.000 0.805 439 L CB 1.470 43.496 42.059 -0.055 0.000 1.193 439 L HN 0.383 nan 8.230 nan 0.000 0.426 440 V N 3.767 123.592 119.914 -0.149 0.000 2.313 440 V HA 0.268 4.382 4.120 -0.009 0.000 0.278 440 V C -0.560 175.449 176.094 -0.142 0.000 1.017 440 V CA -0.545 61.713 62.300 -0.069 0.000 0.823 440 V CB 0.442 32.244 31.823 -0.036 0.000 1.010 440 V HN 0.401 nan 8.190 nan 0.000 0.443 441 Y N 2.352 122.731 120.300 0.131 0.000 2.336 441 Y HA 0.516 5.062 4.550 -0.007 0.000 0.335 441 Y C 0.962 176.910 175.900 0.080 0.000 1.046 441 Y CA 0.152 58.318 58.100 0.110 0.000 1.198 441 Y CB 1.307 39.860 38.460 0.154 0.000 1.182 441 Y HN 0.556 nan 8.280 nan 0.000 0.502 442 S N 1.595 117.405 115.700 0.184 0.000 2.542 442 S HA 0.771 5.236 4.470 -0.009 0.000 0.293 442 S C -0.378 174.286 174.600 0.106 0.000 1.089 442 S CA -0.714 57.564 58.200 0.130 0.000 0.961 442 S CB 2.357 65.615 63.200 0.097 0.000 1.062 442 S HN 0.682 nan 8.310 nan 0.000 0.483 443 T N 0.995 115.598 114.554 0.083 0.000 2.648 443 T HA 0.725 5.069 4.350 -0.009 0.000 0.304 443 T C -2.120 172.628 174.700 0.078 0.000 1.312 443 T CA -0.678 61.423 62.100 0.002 0.000 1.023 443 T CB 0.486 69.247 68.868 -0.177 0.000 1.612 443 T HN 0.524 nan 8.240 nan 0.000 0.487 444 F N 0.944 120.888 119.950 -0.012 0.000 2.576 444 F HA 0.889 5.410 4.527 -0.009 0.000 0.313 444 F C -1.446 174.313 175.800 -0.068 0.000 1.078 444 F CA -1.417 56.570 58.000 -0.021 0.000 0.921 444 F CB 1.047 40.042 39.000 -0.009 0.000 1.232 444 F HN 0.474 nan 8.300 nan 0.000 0.459 445 L N 3.877 125.152 121.223 0.088 0.000 2.307 445 L HA 0.788 5.123 4.340 -0.009 0.000 0.284 445 L C -1.672 175.275 176.870 0.128 0.000 1.023 445 L CA -0.787 54.032 54.840 -0.035 0.000 0.810 445 L CB 1.527 43.511 42.059 -0.125 0.000 1.231 445 L HN 0.825 nan 8.230 nan 0.000 0.423 446 L N 5.013 126.311 121.223 0.125 0.000 2.385 446 L HA 0.466 4.800 4.340 -0.009 0.000 0.273 446 L C -1.294 175.683 176.870 0.179 0.000 0.990 446 L CA -0.223 54.724 54.840 0.179 0.000 0.821 446 L CB 1.410 43.606 42.059 0.228 0.000 1.279 446 L HN 0.742 nan 8.230 nan 0.000 0.412 447 H N 4.191 123.317 119.070 0.093 0.000 2.673 447 H HA 0.336 4.887 4.556 -0.009 0.000 0.293 447 H C -1.440 173.960 175.328 0.120 0.000 1.065 447 H CA -0.396 55.718 56.048 0.110 0.000 1.236 447 H CB 1.058 30.887 29.762 0.111 0.000 1.389 447 H HN 0.611 nan 8.280 nan 0.000 0.481 448 D N 7.790 128.053 120.400 -0.230 0.000 2.438 448 D HA 0.167 4.802 4.640 -0.009 0.000 0.257 448 D C -1.625 174.523 176.300 -0.253 0.000 1.148 448 D CA -2.161 51.727 54.000 -0.187 0.000 0.902 448 D CB 1.782 42.553 40.800 -0.049 0.000 1.062 448 D HN 0.363 nan 8.370 nan 0.000 0.518 449 P HA -0.094 nan 4.420 nan 0.000 0.223 449 P C 0.528 177.787 177.300 -0.068 0.000 1.151 449 P CA 0.281 63.273 63.100 -0.181 0.000 0.787 449 P CB 0.101 31.748 31.700 -0.088 0.000 0.788 450 R N 1.180 121.647 120.500 -0.056 0.000 2.734 450 R HA 0.242 4.577 4.340 -0.009 0.000 0.266 450 R C -2.268 174.022 176.300 -0.017 0.000 1.044 450 R CA -1.204 54.881 56.100 -0.025 0.000 1.128 450 R CB -1.306 28.983 30.300 -0.017 0.000 1.010 450 R HN -0.034 nan 8.270 nan 0.000 0.461 451 P HA 0.013 nan 4.420 nan 0.000 0.271 451 P C -0.378 176.921 177.300 -0.002 0.000 1.216 451 P CA -0.494 62.604 63.100 -0.003 0.000 0.771 451 P CB 1.008 32.709 31.700 0.001 0.000 0.864 452 V N 0.314 120.227 119.914 -0.001 0.000 3.336 452 V HA 0.429 4.544 4.120 -0.009 0.000 0.314 452 V C 0.953 177.050 176.094 0.004 0.000 1.088 452 V CA -0.074 62.228 62.300 0.003 0.000 1.033 452 V CB 1.010 32.834 31.823 0.002 0.000 1.181 452 V HN 0.438 nan 8.190 nan 0.000 0.449 453 S N 0.287 115.991 115.700 0.006 0.000 2.452 453 S HA 0.347 4.812 4.470 -0.009 0.000 0.225 453 S C 1.075 175.678 174.600 0.004 0.000 1.057 453 S CA 0.501 58.705 58.200 0.006 0.000 0.949 453 S CB 0.026 63.231 63.200 0.009 0.000 0.836 453 S HN 1.248 nan 8.310 nan 0.000 0.518 454 G N 0.883 109.685 108.800 0.004 0.000 2.543 454 G HA2 0.566 4.520 3.960 -0.009 0.000 0.290 454 G HA3 0.566 4.520 3.960 -0.009 0.000 0.290 454 G C -0.734 174.165 174.900 -0.001 0.000 1.310 454 G CA -0.785 44.316 45.100 0.001 0.000 1.025 454 G HN 0.304 nan 8.290 nan 0.000 0.502 455 L N 1.512 122.734 121.223 -0.002 0.000 2.312 455 L HA 0.182 4.517 4.340 -0.009 0.000 0.287 455 L C 0.439 177.305 176.870 -0.006 0.000 1.091 455 L CA -0.285 54.553 54.840 -0.003 0.000 0.846 455 L CB 0.682 42.740 42.059 -0.002 0.000 1.219 455 L HN 0.260 nan 8.230 nan 0.000 0.439 456 S N 5.539 121.234 115.700 -0.007 0.000 2.509 456 S HA 0.340 4.804 4.470 -0.009 0.000 0.287 456 S C 0.078 174.670 174.600 -0.012 0.000 1.248 456 S CA -0.084 58.108 58.200 -0.012 0.000 1.089 456 S CB -0.122 63.071 63.200 -0.011 0.000 0.900 456 S HN 0.516 nan 8.310 nan 0.000 0.496 457 I N 0.402 120.962 120.570 -0.017 0.000 3.191 457 I HA 0.646 4.810 4.170 -0.009 0.000 0.313 457 I C 0.259 176.365 176.117 -0.019 0.000 1.193 457 I CA -1.422 59.869 61.300 -0.014 0.000 0.968 457 I CB 0.923 38.917 38.000 -0.010 0.000 1.262 457 I HN 0.504 nan 8.210 nan 0.000 0.456 458 L N 1.247 122.462 121.223 -0.013 0.000 5.495 458 L HA -0.262 4.073 4.340 -0.009 0.000 0.053 458 L C 0.533 177.393 176.870 -0.017 0.000 3.054 458 L CA 2.433 57.266 54.840 -0.013 0.000 1.426 458 L CB -0.750 41.299 42.059 -0.016 0.000 3.005 458 L HN 1.043 nan 8.230 nan 0.000 0.998 459 R N 0.235 120.717 120.500 -0.031 0.000 2.389 459 R HA 0.371 4.706 4.340 -0.009 0.000 0.295 459 R C -0.583 175.681 176.300 -0.060 0.000 1.075 459 R CA 0.555 56.630 56.100 -0.041 0.000 1.005 459 R CB 0.919 31.183 30.300 -0.061 0.000 0.987 459 R HN 0.521 nan 8.270 nan 0.000 0.452 460 T N 2.577 117.111 114.554 -0.032 0.000 2.856 460 T HA 0.174 4.519 4.350 -0.009 0.000 0.292 460 T C 0.270 174.953 174.700 -0.029 0.000 0.980 460 T CA -0.622 61.466 62.100 -0.020 0.000 1.091 460 T CB 0.506 69.384 68.868 0.018 0.000 0.936 460 T HN 0.587 nan 8.240 nan 0.000 0.503 461 N N 3.505 122.183 118.700 -0.038 0.000 2.320 461 N HA 0.129 4.864 4.740 -0.009 0.000 0.237 461 N C -0.043 175.661 175.510 0.324 0.000 1.129 461 N CA -0.049 53.022 53.050 0.035 0.000 0.854 461 N CB 0.149 38.545 38.487 -0.151 0.000 1.083 461 N HN 0.516 nan 8.380 nan 0.000 0.504 462 R N 0.990 121.611 120.500 0.201 0.000 2.204 462 R HA 0.370 4.704 4.340 -0.009 0.000 0.341 462 R C -1.176 175.248 176.300 0.207 0.000 1.035 462 R CA -0.185 56.026 56.100 0.185 0.000 0.887 462 R CB 0.344 30.693 30.300 0.080 0.000 1.114 462 R HN -0.215 nan 8.270 nan 0.000 0.473 463 V N 3.911 123.984 119.914 0.265 0.000 2.604 463 V HA 0.379 4.493 4.120 -0.009 0.000 0.305 463 V C -0.489 175.694 176.094 0.149 0.000 1.043 463 V CA -0.758 61.664 62.300 0.203 0.000 0.888 463 V CB 1.808 33.756 31.823 0.208 0.000 0.995 463 V HN 0.758 nan 8.190 nan 0.000 0.429 464 E N 3.279 123.542 120.200 0.105 0.000 2.265 464 E HA 0.627 4.972 4.350 -0.009 0.000 0.262 464 E C -1.418 175.236 176.600 0.091 0.000 0.889 464 E CA -0.517 55.941 56.400 0.098 0.000 0.789 464 E CB 2.167 31.894 29.700 0.046 0.000 1.221 464 E HN 0.634 nan 8.360 nan 0.000 0.414 465 V N 1.456 121.434 119.914 0.107 0.000 2.769 465 V HA 0.738 4.852 4.120 -0.009 0.000 0.312 465 V C -2.691 173.484 176.094 0.134 0.000 1.058 465 V CA -2.717 59.644 62.300 0.102 0.000 0.952 465 V CB 1.326 33.202 31.823 0.089 0.000 1.019 465 V HN 0.555 nan 8.190 nan 0.000 0.445 466 P HA 0.476 nan 4.420 nan 0.000 0.287 466 P C -0.999 176.405 177.300 0.174 0.000 1.281 466 P CA -0.159 63.023 63.100 0.137 0.000 0.781 466 P CB 0.616 32.363 31.700 0.078 0.000 0.903 467 I N 2.973 123.633 120.570 0.150 0.000 2.355 467 I HA 0.434 4.598 4.170 -0.009 0.000 0.288 467 I C 0.405 176.622 176.117 0.168 0.000 0.999 467 I CA -0.462 60.934 61.300 0.159 0.000 1.163 467 I CB 0.781 38.796 38.000 0.025 0.000 1.316 467 I HN 0.413 nan 8.210 nan 0.000 0.454 468 E N 5.166 125.526 120.200 0.266 0.000 2.292 468 E HA 0.589 4.933 4.350 -0.009 0.000 0.272 468 E C -1.784 174.939 176.600 0.206 0.000 0.881 468 E CA -0.406 56.113 56.400 0.197 0.000 0.754 468 E CB 2.234 32.004 29.700 0.117 0.000 1.201 468 E HN 0.641 nan 8.360 nan 0.000 0.425 469 c N 3.421 122.114 118.600 0.155 0.000 2.441 469 c HA 0.572 5.137 4.570 -0.009 0.000 0.318 469 c C -0.531 173.539 174.090 -0.034 0.000 1.222 469 c CA -0.753 55.590 56.329 0.023 0.000 1.474 469 c CB 0.741 43.280 42.510 0.049 0.000 2.125 469 c HN 0.686 nan 8.230 nan 0.000 0.479 470 R N 2.028 122.391 120.500 -0.227 0.000 2.343 470 R HA 0.577 4.912 4.340 -0.009 0.000 0.320 470 R C -1.686 174.425 176.300 -0.316 0.000 0.956 470 R CA -0.361 55.650 56.100 -0.148 0.000 0.836 470 R CB 1.388 31.650 30.300 -0.065 0.000 1.151 470 R HN 0.671 nan 8.270 nan 0.000 0.450 471 Y N 2.365 122.722 120.300 0.094 0.000 2.393 471 Y HA 0.346 4.891 4.550 -0.010 0.000 0.341 471 Y C -2.022 173.902 175.900 0.039 0.000 0.988 471 Y CA -2.995 55.152 58.100 0.078 0.000 1.078 471 Y CB 1.593 40.133 38.460 0.133 0.000 1.203 471 Y HN 0.419 nan 8.280 nan 0.000 0.453 472 P HA 0.147 nan 4.420 nan 0.000 0.271 472 P C -0.760 176.588 177.300 0.080 0.000 1.220 472 P CA -0.216 62.933 63.100 0.081 0.000 0.768 472 P CB 0.507 32.235 31.700 0.047 0.000 0.848 473 R N 3.155 123.685 120.500 0.051 0.000 2.242 473 R HA 0.297 4.631 4.340 -0.009 0.000 0.334 473 R C 0.227 176.540 176.300 0.021 0.000 1.071 473 R CA -0.304 55.817 56.100 0.034 0.000 0.922 473 R CB -0.132 30.181 30.300 0.021 0.000 1.023 473 R HN 0.473 nan 8.270 nan 0.000 0.458 474 L N 0.000 121.233 121.223 0.017 0.000 2.949 474 L HA 0.000 4.335 4.340 -0.009 0.000 0.249 474 L CA 0.000 54.843 54.840 0.006 0.000 0.813 474 L CB 0.000 42.060 42.059 0.001 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502