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 1j07_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.624 176.600 0.040 0.000 1.382 4 E CA 0.000 56.417 56.400 0.029 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 D N 1.159 121.592 120.400 0.055 0.000 2.452 5 D HA 0.269 4.930 4.640 0.035 0.000 0.226 5 D C -2.114 174.236 176.300 0.083 0.000 1.366 5 D CA -1.614 52.432 54.000 0.077 0.000 0.986 5 D CB 1.722 42.586 40.800 0.106 0.000 1.420 5 D HN 0.210 nan 8.370 nan 0.000 0.583 6 P HA -0.197 nan 4.420 nan 0.000 0.221 6 P C 1.000 178.338 177.300 0.063 0.000 1.141 6 P CA 0.924 64.053 63.100 0.049 0.000 0.794 6 P CB 0.569 32.282 31.700 0.022 0.000 0.764 7 Q N -0.705 119.141 119.800 0.078 0.000 2.311 7 Q HA 0.093 4.454 4.340 0.035 0.000 0.203 7 Q C 2.068 178.214 176.000 0.244 0.000 0.954 7 Q CA 0.769 56.626 55.803 0.090 0.000 0.885 7 Q CB -0.149 28.552 28.738 -0.061 0.000 0.963 7 Q HN 0.428 nan 8.270 nan 0.000 0.471 8 L N -0.059 121.298 121.223 0.224 0.000 2.607 8 L HA 0.240 4.602 4.340 0.035 0.000 0.228 8 L C 0.387 177.449 176.870 0.320 0.000 1.123 8 L CA -0.053 54.919 54.840 0.220 0.000 0.890 8 L CB 0.366 42.464 42.059 0.065 0.000 1.103 8 L HN -0.013 nan 8.230 nan 0.000 0.468 9 L N 1.032 122.399 121.223 0.241 0.000 2.305 9 L HA 0.544 4.905 4.340 0.035 0.000 0.284 9 L C -0.888 176.032 176.870 0.083 0.000 1.013 9 L CA -0.423 54.523 54.840 0.176 0.000 0.819 9 L CB 1.970 44.088 42.059 0.098 0.000 1.227 9 L HN -0.201 nan 8.230 nan 0.000 0.417 10 V N 3.475 123.402 119.914 0.021 0.000 2.962 10 V HA 0.546 4.687 4.120 0.035 0.000 0.313 10 V C -0.557 175.462 176.094 -0.124 0.000 1.099 10 V CA -0.919 61.248 62.300 -0.221 0.000 0.971 10 V CB 2.314 33.691 31.823 -0.744 0.000 1.028 10 V HN 0.700 nan 8.190 nan 0.000 0.430 11 R N 1.991 122.393 120.500 -0.164 0.000 2.393 11 R HA 0.784 5.145 4.340 0.035 0.000 0.315 11 R C -0.940 175.294 176.300 -0.111 0.000 0.952 11 R CA -0.362 55.690 56.100 -0.080 0.000 0.842 11 R CB 1.745 32.000 30.300 -0.075 0.000 1.163 11 R HN 0.792 nan 8.270 nan 0.000 0.450 12 V N 1.577 121.483 119.914 -0.013 0.000 3.096 12 V HA 0.478 4.619 4.120 0.035 0.000 0.319 12 V C 1.158 177.205 176.094 -0.078 0.000 1.103 12 V CA -0.943 61.353 62.300 -0.006 0.000 1.016 12 V CB 1.890 33.867 31.823 0.257 0.000 1.090 12 V HN 0.864 nan 8.190 nan 0.000 0.449 13 R N 1.360 121.798 120.500 -0.104 0.000 2.185 13 R HA -0.091 4.270 4.340 0.035 0.000 0.247 13 R C 1.886 178.055 176.300 -0.220 0.000 1.159 13 R CA 1.770 57.791 56.100 -0.132 0.000 0.988 13 R CB -0.593 29.646 30.300 -0.101 0.000 0.871 13 R HN 0.988 nan 8.270 nan 0.000 0.458 14 G N -0.580 108.028 108.800 -0.320 0.000 2.939 14 G HA2 0.338 4.319 3.960 0.035 0.000 0.210 14 G HA3 0.338 4.319 3.960 0.035 0.000 0.210 14 G C 0.364 174.273 174.900 -1.651 0.000 1.160 14 G CA 0.458 45.072 45.100 -0.811 0.000 0.770 14 G HN 0.563 nan 8.290 nan 0.000 0.543 15 G N -0.999 107.184 108.800 -1.029 0.000 2.340 15 G HA2 0.161 4.142 3.960 0.035 0.000 0.282 15 G HA3 0.161 4.142 3.960 0.035 0.000 0.282 15 G C -1.257 173.655 174.900 0.020 0.000 1.312 15 G CA -0.987 43.647 45.100 -0.776 0.000 0.942 15 G HN 0.247 nan 8.290 nan 0.000 0.495 16 Q N -0.470 119.500 119.800 0.283 0.000 2.230 16 Q HA 0.712 5.073 4.340 0.035 0.000 0.248 16 Q C -0.470 175.816 176.000 0.477 0.000 0.915 16 Q CA -0.239 55.755 55.803 0.317 0.000 0.900 16 Q CB 1.825 30.679 28.738 0.193 0.000 1.229 16 Q HN 0.459 nan 8.270 nan 0.000 0.439 17 L N 1.124 122.541 121.223 0.324 0.000 2.371 17 L HA 0.641 5.002 4.340 0.035 0.000 0.262 17 L C -0.506 176.527 176.870 0.272 0.000 1.006 17 L CA -0.854 54.167 54.840 0.301 0.000 0.818 17 L CB 2.270 44.550 42.059 0.369 0.000 1.354 17 L HN 0.428 nan 8.230 nan 0.000 0.415 18 R N 0.367 121.005 120.500 0.230 0.000 2.476 18 R HA 0.607 4.968 4.340 0.035 0.000 0.305 18 R C -0.411 175.957 176.300 0.113 0.000 0.965 18 R CA -0.333 55.877 56.100 0.183 0.000 0.867 18 R CB 1.934 32.285 30.300 0.085 0.000 1.176 18 R HN 0.863 nan 8.270 nan 0.000 0.447 19 G N 3.186 111.991 108.800 0.009 0.000 2.531 19 G HA2 0.456 4.437 3.960 0.035 0.000 0.281 19 G HA3 0.456 4.437 3.960 0.035 0.000 0.281 19 G C -0.814 173.872 174.900 -0.356 0.000 1.382 19 G CA -0.595 44.214 45.100 -0.484 0.000 1.045 19 G HN 0.555 nan 8.290 nan 0.000 0.533 20 I N -0.929 119.379 120.570 -0.437 0.000 2.647 20 I HA 0.515 4.706 4.170 0.035 0.000 0.295 20 I C -0.242 175.708 176.117 -0.278 0.000 1.078 20 I CA -1.121 60.009 61.300 -0.284 0.000 1.048 20 I CB 2.124 39.972 38.000 -0.253 0.000 1.239 20 I HN 0.462 nan 8.210 nan 0.000 0.421 21 R N 7.516 127.882 120.500 -0.223 0.000 2.267 21 R HA 0.533 4.894 4.340 0.035 0.000 0.319 21 R C -1.596 174.567 176.300 -0.228 0.000 1.067 21 R CA -0.267 55.669 56.100 -0.274 0.000 0.936 21 R CB 0.573 30.634 30.300 -0.397 0.000 1.006 21 R HN 0.639 nan 8.270 nan 0.000 0.452 22 L N 3.492 124.605 121.223 -0.182 0.000 2.334 22 L HA 0.447 4.809 4.340 0.035 0.000 0.272 22 L C -0.347 176.451 176.870 -0.120 0.000 1.020 22 L CA -1.162 53.602 54.840 -0.126 0.000 0.812 22 L CB 1.791 43.815 42.059 -0.060 0.000 1.264 22 L HN 0.516 nan 8.230 nan 0.000 0.439 23 K N 1.931 122.269 120.400 -0.102 0.000 2.234 23 K HA 0.656 4.997 4.320 0.035 0.000 0.277 23 K C -0.885 175.663 176.600 -0.086 0.000 1.038 23 K CA -0.133 56.102 56.287 -0.086 0.000 0.888 23 K CB 1.444 33.903 32.500 -0.069 0.000 1.091 23 K HN 0.616 nan 8.250 nan 0.000 0.467 24 A N 5.677 128.455 122.820 -0.070 0.000 2.337 24 A HA 0.531 4.872 4.320 0.035 0.000 0.331 24 A C -1.963 175.632 177.584 0.019 0.000 1.137 24 A CA -2.015 49.977 52.037 -0.074 0.000 0.807 24 A CB 0.900 19.849 19.000 -0.084 0.000 1.250 24 A HN 0.703 nan 8.150 nan 0.000 0.468 25 P HA -0.211 nan 4.420 nan 0.000 0.219 25 P C 1.242 178.580 177.300 0.064 0.000 1.161 25 P CA 2.494 65.654 63.100 0.100 0.000 0.909 25 P CB 0.236 32.028 31.700 0.154 0.000 0.793 26 G N -2.541 106.299 108.800 0.067 0.000 3.371 26 G HA2 0.484 4.465 3.960 0.035 0.000 0.248 26 G HA3 0.484 4.465 3.960 0.035 0.000 0.248 26 G C 0.394 175.321 174.900 0.045 0.000 1.161 26 G CA 0.390 45.521 45.100 0.052 0.000 0.796 26 G HN 0.628 nan 8.290 nan 0.000 0.539 27 G N -0.277 108.544 108.800 0.035 0.000 2.359 27 G HA2 0.373 4.354 3.960 0.035 0.000 0.293 27 G HA3 0.373 4.354 3.960 0.035 0.000 0.293 27 G C -3.433 171.474 174.900 0.012 0.000 1.300 27 G CA -0.697 44.423 45.100 0.033 0.000 0.888 27 G HN 0.052 nan 8.290 nan 0.000 0.541 28 P HA 0.583 nan 4.420 nan 0.000 0.279 28 P C -0.281 177.046 177.300 0.045 0.000 1.252 28 P CA -0.351 62.705 63.100 -0.073 0.000 0.811 28 P CB 1.878 33.414 31.700 -0.272 0.000 1.035 29 V N -1.844 118.080 119.914 0.016 0.000 3.007 29 V HA 0.611 4.752 4.120 0.035 0.000 0.311 29 V C -0.489 175.685 176.094 0.134 0.000 1.120 29 V CA -0.840 61.551 62.300 0.152 0.000 0.980 29 V CB 1.765 33.678 31.823 0.151 0.000 1.033 29 V HN 0.445 nan 8.190 nan 0.000 0.429 30 S N 2.223 118.074 115.700 0.251 0.000 2.499 30 S HA 0.858 5.349 4.470 0.035 0.000 0.279 30 S C 0.063 174.652 174.600 -0.017 0.000 1.219 30 S CA 0.054 58.333 58.200 0.132 0.000 1.062 30 S CB 1.251 64.660 63.200 0.347 0.000 0.978 30 S HN 1.626 nan 8.310 nan 0.000 0.489 31 A N 2.878 125.465 122.820 -0.388 0.000 2.343 31 A HA 0.772 5.113 4.320 0.035 0.000 0.308 31 A C -1.206 175.917 177.584 -0.767 0.000 1.092 31 A CA -0.635 51.087 52.037 -0.524 0.000 0.751 31 A CB 0.410 19.093 19.000 -0.528 0.000 1.203 31 A HN 0.673 nan 8.150 nan 0.000 0.452 32 F N 3.097 122.897 119.950 -0.250 0.000 2.366 32 F HA 0.487 5.036 4.527 0.035 0.000 0.366 32 F C -0.097 175.530 175.800 -0.289 0.000 1.096 32 F CA -0.373 57.553 58.000 -0.123 0.000 1.060 32 F CB 1.167 40.268 39.000 0.168 0.000 1.282 32 F HN 0.355 nan 8.300 nan 0.000 0.450 33 L N 1.984 123.051 121.223 -0.260 0.000 2.331 33 L HA 0.722 5.083 4.340 0.035 0.000 0.275 33 L C 0.972 177.745 176.870 -0.162 0.000 1.022 33 L CA -1.088 53.554 54.840 -0.330 0.000 0.812 33 L CB 1.616 43.274 42.059 -0.668 0.000 1.257 33 L HN 0.810 nan 8.230 nan 0.000 0.435 34 G N 2.693 111.458 108.800 -0.058 0.000 2.246 34 G HA2 -0.251 3.730 3.960 0.035 0.000 0.273 34 G HA3 -0.251 3.730 3.960 0.035 0.000 0.273 34 G C -0.118 174.798 174.900 0.028 0.000 1.055 34 G CA -0.284 44.785 45.100 -0.052 0.000 0.851 34 G HN 0.464 nan 8.290 nan 0.000 0.500 35 I N 1.982 122.596 120.570 0.072 0.000 2.416 35 I HA 0.234 4.425 4.170 0.035 0.000 0.288 35 I C -1.427 174.756 176.117 0.110 0.000 1.051 35 I CA -2.124 59.199 61.300 0.039 0.000 1.375 35 I CB 1.146 39.114 38.000 -0.054 0.000 1.407 35 I HN -0.004 nan 8.210 nan 0.000 0.516 36 P HA 0.068 nan 4.420 nan 0.000 0.281 36 P C -0.282 176.933 177.300 -0.141 0.000 1.252 36 P CA -0.072 62.911 63.100 -0.195 0.000 0.778 36 P CB 0.616 32.221 31.700 -0.159 0.000 0.895 37 F N 1.252 121.023 119.950 -0.297 0.000 2.706 37 F HA 0.736 5.284 4.527 0.035 0.000 0.313 37 F C 0.037 175.808 175.800 -0.049 0.000 1.096 37 F CA -0.797 57.092 58.000 -0.186 0.000 1.219 37 F CB 0.200 39.007 39.000 -0.323 0.000 1.051 37 F HN 0.354 nan 8.300 nan 0.000 0.568 38 A N -0.069 122.461 122.820 -0.485 0.000 2.609 38 A HA 0.575 4.916 4.320 0.035 0.000 0.291 38 A C -0.981 176.437 177.584 -0.277 0.000 1.096 38 A CA -0.828 51.032 52.037 -0.295 0.000 0.684 38 A CB 0.913 19.687 19.000 -0.377 0.000 1.282 38 A HN 0.050 nan 8.150 nan 0.000 0.412 39 E N 1.157 121.274 120.200 -0.139 0.000 2.384 39 E HA 0.262 4.634 4.350 0.035 0.000 0.266 39 E C -2.330 174.172 176.600 -0.164 0.000 1.012 39 E CA -1.362 54.973 56.400 -0.109 0.000 0.901 39 E CB 0.071 29.744 29.700 -0.044 0.000 0.967 39 E HN 0.229 nan 8.360 nan 0.000 0.435 40 P HA -0.032 nan 4.420 nan 0.000 0.260 40 P C -2.201 175.027 177.300 -0.120 0.000 1.172 40 P CA -0.545 62.463 63.100 -0.152 0.000 0.760 40 P CB -0.003 31.647 31.700 -0.085 0.000 0.773 41 P HA 0.020 nan 4.420 nan 0.000 0.218 41 P C -0.322 176.912 177.300 -0.112 0.000 1.793 41 P CA 0.042 63.078 63.100 -0.106 0.000 0.941 41 P CB -0.071 31.568 31.700 -0.102 0.000 1.919 42 V N -2.506 117.350 119.914 -0.097 0.000 3.093 42 V HA 0.878 5.019 4.120 0.035 0.000 0.320 42 V C 1.105 177.150 176.094 -0.082 0.000 1.093 42 V CA 0.167 62.407 62.300 -0.099 0.000 1.016 42 V CB 0.667 32.440 31.823 -0.083 0.000 1.096 42 V HN 0.533 nan 8.190 nan 0.000 0.452 43 G N 2.278 111.029 108.800 -0.082 0.000 2.634 43 G HA2 -0.378 3.603 3.960 0.035 0.000 0.318 43 G HA3 -0.378 3.603 3.960 0.035 0.000 0.318 43 G C 1.280 176.147 174.900 -0.054 0.000 1.207 43 G CA 1.847 46.912 45.100 -0.058 0.000 0.987 43 G HN 2.380 nan 8.290 nan 0.000 0.547 44 S N 0.499 116.181 115.700 -0.030 0.000 2.607 44 S HA 0.141 4.632 4.470 0.035 0.000 0.224 44 S C 1.927 176.518 174.600 -0.015 0.000 0.969 44 S CA 1.395 59.589 58.200 -0.011 0.000 0.927 44 S CB 0.033 63.235 63.200 0.003 0.000 0.772 44 S HN 0.659 nan 8.310 nan 0.000 0.533 45 R N 0.684 121.158 120.500 -0.042 0.000 2.317 45 R HA 0.286 4.647 4.340 0.035 0.000 0.208 45 R C 0.889 177.140 176.300 -0.081 0.000 0.914 45 R CA -0.249 55.826 56.100 -0.041 0.000 1.060 45 R CB 0.070 30.343 30.300 -0.045 0.000 1.015 45 R HN 0.363 nan 8.270 nan 0.000 0.498 46 R N 0.758 121.162 120.500 -0.160 0.000 2.570 46 R HA -0.112 4.249 4.340 0.035 0.000 0.277 46 R C -0.457 175.632 176.300 -0.352 0.000 1.039 46 R CA 0.564 56.434 56.100 -0.384 0.000 1.065 46 R CB 0.145 30.072 30.300 -0.623 0.000 0.964 46 R HN 0.129 nan 8.270 nan 0.000 0.428 47 F N -0.688 119.265 119.950 0.005 0.000 2.656 47 F HA -0.312 4.236 4.527 0.035 0.000 0.381 47 F C 0.068 175.849 175.800 -0.032 0.000 0.603 47 F CA 0.702 58.680 58.000 -0.037 0.000 1.335 47 F CB -1.759 37.210 39.000 -0.052 0.000 1.836 47 F HN 0.479 nan 8.300 nan 0.000 0.290 48 M N 0.774 120.434 119.600 0.100 0.000 2.444 48 M HA 0.430 4.931 4.480 0.035 0.000 0.319 48 M C -2.032 174.291 176.300 0.038 0.000 1.183 48 M CA -1.526 53.814 55.300 0.068 0.000 1.032 48 M CB 0.801 33.430 32.600 0.048 0.000 1.569 48 M HN -0.380 nan 8.290 nan 0.000 0.468 49 P HA 0.074 nan 4.420 nan 0.000 0.267 49 P C -2.407 174.918 177.300 0.040 0.000 1.200 49 P CA -0.480 62.649 63.100 0.047 0.000 0.772 49 P CB -0.337 31.400 31.700 0.062 0.000 0.855 50 P HA 0.165 nan 4.420 nan 0.000 0.274 50 P C -0.689 176.643 177.300 0.053 0.000 1.231 50 P CA 0.085 63.208 63.100 0.039 0.000 0.790 50 P CB 1.103 32.847 31.700 0.074 0.000 0.951 51 E N 2.075 122.293 120.200 0.030 0.000 2.227 51 E HA 0.372 4.743 4.350 0.035 0.000 0.268 51 E C -2.204 174.430 176.600 0.056 0.000 0.907 51 E CA -2.435 53.993 56.400 0.046 0.000 0.786 51 E CB 1.478 31.195 29.700 0.029 0.000 1.191 51 E HN 0.411 nan 8.360 nan 0.000 0.411 52 P HA -0.030 nan 4.420 nan 0.000 0.269 52 P C -0.643 176.719 177.300 0.103 0.000 1.209 52 P CA -0.239 62.937 63.100 0.127 0.000 0.776 52 P CB 0.605 32.391 31.700 0.142 0.000 0.876 53 K N 3.622 124.103 120.400 0.133 0.000 2.447 53 K HA 0.034 4.376 4.320 0.035 0.000 0.281 53 K C 0.282 176.989 176.600 0.178 0.000 1.031 53 K CA 0.230 56.601 56.287 0.140 0.000 1.019 53 K CB 0.029 32.651 32.500 0.203 0.000 0.918 53 K HN 0.276 nan 8.250 nan 0.000 0.476 54 R N 5.012 125.599 120.500 0.145 0.000 2.643 54 R HA 0.139 4.500 4.340 0.035 0.000 0.270 54 R C -2.015 174.391 176.300 0.177 0.000 1.061 54 R CA -1.580 54.594 56.100 0.124 0.000 1.107 54 R CB 0.071 30.428 30.300 0.096 0.000 0.999 54 R HN 0.568 nan 8.270 nan 0.000 0.460 55 P HA -0.090 nan 4.420 nan 0.000 0.267 55 P C -1.183 176.145 177.300 0.047 0.000 1.200 55 P CA 0.224 63.257 63.100 -0.112 0.000 0.772 55 P CB 0.330 31.938 31.700 -0.154 0.000 0.855 56 W N 1.185 122.520 121.300 0.059 0.000 2.736 56 W HA 0.711 5.392 4.660 0.035 0.000 0.355 56 W C -0.630 175.916 176.519 0.044 0.000 1.102 56 W CA -1.002 56.374 57.345 0.052 0.000 1.164 56 W CB 0.058 29.555 29.460 0.063 0.000 1.422 56 W HN 0.366 nan 8.180 nan 0.000 0.572 57 S N 1.234 117.114 115.700 0.301 0.000 2.651 57 S HA 0.833 5.324 4.470 0.035 0.000 0.291 57 S C 0.490 175.250 174.600 0.266 0.000 1.141 57 S CA 0.048 58.357 58.200 0.181 0.000 1.027 57 S CB 0.901 64.173 63.200 0.120 0.000 1.043 57 S HN 2.187 nan 8.310 nan 0.000 0.530 58 G N 0.164 109.069 108.800 0.176 0.000 2.601 58 G HA2 -0.161 3.820 3.960 0.035 0.000 0.252 58 G HA3 -0.161 3.820 3.960 0.035 0.000 0.252 58 G C -0.678 174.366 174.900 0.239 0.000 1.294 58 G CA -0.267 44.934 45.100 0.168 0.000 0.912 58 G HN 1.680 nan 8.290 nan 0.000 0.574 59 V N 0.873 120.894 119.914 0.179 0.000 2.328 59 V HA 0.512 4.653 4.120 0.035 0.000 0.278 59 V C 0.518 176.687 176.094 0.125 0.000 1.021 59 V CA -0.469 61.941 62.300 0.184 0.000 0.838 59 V CB 1.153 33.048 31.823 0.119 0.000 0.999 59 V HN 0.837 nan 8.190 nan 0.000 0.447 60 L N 4.687 125.977 121.223 0.111 0.000 2.360 60 L HA 0.358 4.720 4.340 0.035 0.000 0.276 60 L C 0.274 177.108 176.870 -0.061 0.000 1.121 60 L CA 0.201 54.962 54.840 -0.133 0.000 0.845 60 L CB 0.811 42.517 42.059 -0.588 0.000 1.143 60 L HN 0.761 nan 8.230 nan 0.000 0.452 61 D N 4.507 124.857 120.400 -0.083 0.000 2.338 61 D HA 0.341 5.002 4.640 0.035 0.000 0.255 61 D C -0.172 176.075 176.300 -0.088 0.000 1.237 61 D CA 0.231 54.193 54.000 -0.065 0.000 0.883 61 D CB 0.932 41.688 40.800 -0.075 0.000 1.087 61 D HN 0.650 nan 8.370 nan 0.000 0.485 62 A N 3.372 126.165 122.820 -0.044 0.000 3.154 62 A HA 0.300 4.641 4.320 0.035 0.000 0.310 62 A C 0.944 178.442 177.584 -0.142 0.000 1.093 62 A CA -0.254 51.751 52.037 -0.055 0.000 1.006 62 A CB -0.305 18.758 19.000 0.105 0.000 1.084 62 A HN 0.575 nan 8.150 nan 0.000 0.549 63 T N -3.908 110.540 114.554 -0.177 0.000 3.044 63 T HA 0.327 4.699 4.350 0.035 0.000 0.260 63 T C 0.442 174.976 174.700 -0.277 0.000 1.019 63 T CA 0.483 62.443 62.100 -0.232 0.000 0.921 63 T CB 0.184 68.945 68.868 -0.177 0.000 1.053 63 T HN 0.344 nan 8.240 nan 0.000 0.533 64 T N 0.614 115.003 114.554 -0.275 0.000 2.916 64 T HA 0.593 4.964 4.350 0.035 0.000 0.305 64 T C -1.528 173.013 174.700 -0.266 0.000 1.119 64 T CA -0.756 61.175 62.100 -0.280 0.000 1.008 64 T CB 0.734 69.502 68.868 -0.167 0.000 1.129 64 T HN 0.079 nan 8.240 nan 0.000 0.480 65 F N 3.231 123.106 119.950 -0.125 0.000 2.518 65 F HA 0.319 4.867 4.527 0.036 0.000 0.359 65 F C 1.409 177.111 175.800 -0.164 0.000 1.118 65 F CA -0.079 57.851 58.000 -0.117 0.000 1.287 65 F CB 0.583 39.544 39.000 -0.066 0.000 1.132 65 F HN 0.427 nan 8.300 nan 0.000 0.587 66 Q N 1.632 121.444 119.800 0.020 0.000 2.272 66 Q HA 0.174 4.535 4.340 0.035 0.000 0.192 66 Q C -0.059 175.878 176.000 -0.105 0.000 1.059 66 Q CA -0.522 55.148 55.803 -0.222 0.000 1.084 66 Q CB 0.461 28.824 28.738 -0.624 0.000 1.139 66 Q HN 0.514 nan 8.270 nan 0.000 0.593 67 N N -0.428 118.187 118.700 -0.142 0.000 2.453 67 N HA 0.052 4.813 4.740 0.035 0.000 0.253 67 N C -0.575 174.918 175.510 -0.028 0.000 1.252 67 N CA 0.010 53.020 53.050 -0.067 0.000 0.917 67 N CB 0.441 38.896 38.487 -0.053 0.000 1.117 67 N HN 0.164 nan 8.380 nan 0.000 0.442 68 V N 1.487 121.359 119.914 -0.069 0.000 2.583 68 V HA 0.062 4.204 4.120 0.035 0.000 0.287 68 V C 0.603 176.644 176.094 -0.088 0.000 1.051 68 V CA -0.786 61.458 62.300 -0.094 0.000 1.010 68 V CB 0.860 32.593 31.823 -0.151 0.000 0.988 68 V HN 0.700 nan 8.190 nan 0.000 0.478 69 c N 4.735 123.296 118.600 -0.066 0.000 2.611 69 c HA 0.064 4.655 4.570 0.035 0.000 0.416 69 c C 0.548 174.575 174.090 -0.106 0.000 1.366 69 c CA -0.549 55.743 56.329 -0.061 0.000 1.761 69 c CB -1.157 41.344 42.510 -0.015 0.000 2.619 69 c HN 0.749 nan 8.230 nan 0.000 0.606 70 Y N 4.316 124.467 120.300 -0.248 0.000 2.805 70 Y HA 0.179 4.751 4.550 0.035 0.000 0.331 70 Y C 0.799 176.695 175.900 -0.006 0.000 1.241 70 Y CA 1.163 59.110 58.100 -0.255 0.000 1.546 70 Y CB 0.092 38.161 38.460 -0.651 0.000 1.248 70 Y HN 0.760 nan 8.280 nan 0.000 0.559 71 Q N 4.264 123.956 119.800 -0.180 0.000 2.633 71 Q HA 0.223 4.584 4.340 0.035 0.000 0.289 71 Q C -1.798 174.297 176.000 0.158 0.000 0.940 71 Q CA -1.235 54.667 55.803 0.166 0.000 0.785 71 Q CB 1.205 30.021 28.738 0.131 0.000 1.467 71 Q HN 0.634 nan 8.270 nan 0.000 0.401 72 Y N 1.036 121.499 120.300 0.273 0.000 2.597 72 Y HA 0.377 4.948 4.550 0.035 0.000 0.336 72 Y C -1.059 174.987 175.900 0.243 0.000 1.216 72 Y CA 0.270 58.548 58.100 0.297 0.000 1.463 72 Y CB 0.957 39.690 38.460 0.455 0.000 1.303 72 Y HN 0.443 nan 8.280 nan 0.000 0.576 73 V N 6.857 126.403 119.914 -0.613 0.000 2.417 73 V HA 0.108 4.249 4.120 0.035 0.000 0.291 73 V C -0.247 175.505 176.094 -0.571 0.000 1.024 73 V CA -1.160 60.906 62.300 -0.390 0.000 0.861 73 V CB 1.464 33.139 31.823 -0.247 0.000 0.985 73 V HN 0.824 nan 8.190 nan 0.000 0.436 74 D N 3.248 123.603 120.400 -0.075 0.000 2.425 74 D HA 0.081 4.742 4.640 0.035 0.000 0.247 74 D C 0.690 177.038 176.300 0.080 0.000 1.147 74 D CA 0.521 54.617 54.000 0.160 0.000 0.879 74 D CB 1.683 42.717 40.800 0.390 0.000 1.179 74 D HN 0.783 nan 8.370 nan 0.000 0.456 75 T N 0.990 115.604 114.554 0.099 0.000 3.144 75 T HA -0.004 4.367 4.350 0.035 0.000 0.290 75 T C 1.629 176.336 174.700 0.011 0.000 0.966 75 T CA -0.426 61.702 62.100 0.045 0.000 0.907 75 T CB 0.054 68.926 68.868 0.007 0.000 1.152 75 T HN 0.250 nan 8.240 nan 0.000 0.532 76 L N 0.922 122.141 121.223 -0.007 0.000 2.042 76 L HA 0.176 4.537 4.340 0.035 0.000 0.210 76 L C -0.186 176.388 176.870 -0.492 0.000 1.076 76 L CA 1.648 56.303 54.840 -0.308 0.000 0.749 76 L CB -0.504 41.252 42.059 -0.505 0.000 0.893 76 L HN 0.433 nan 8.230 nan 0.000 0.432 77 Y N -0.308 120.027 120.300 0.057 0.000 2.748 77 Y HA 0.435 5.006 4.550 0.035 0.000 0.359 77 Y C -2.207 173.739 175.900 0.077 0.000 1.030 77 Y CA -3.416 54.705 58.100 0.034 0.000 1.169 77 Y CB -0.195 38.287 38.460 0.036 0.000 1.127 77 Y HN 0.054 nan 8.280 nan 0.000 0.644 78 P HA 0.054 nan 4.420 nan 0.000 0.260 78 P C 1.033 178.393 177.300 0.100 0.000 1.172 78 P CA 1.844 65.000 63.100 0.094 0.000 0.760 78 P CB 0.607 32.333 31.700 0.044 0.000 0.773 79 G N 2.704 111.551 108.800 0.079 0.000 2.205 79 G HA2 -0.294 3.687 3.960 0.035 0.000 0.261 79 G HA3 -0.294 3.687 3.960 0.035 0.000 0.261 79 G C 0.029 174.982 174.900 0.088 0.000 0.980 79 G CA -0.463 44.669 45.100 0.053 0.000 0.632 79 G HN 0.533 nan 8.290 nan 0.000 0.533 80 F N 2.420 122.329 119.950 -0.067 0.000 2.471 80 F HA 0.569 5.117 4.527 0.035 0.000 0.365 80 F C 1.388 177.086 175.800 -0.172 0.000 1.095 80 F CA -0.742 57.164 58.000 -0.156 0.000 1.174 80 F CB 1.212 40.089 39.000 -0.204 0.000 1.105 80 F HN 0.224 nan 8.300 nan 0.000 0.535 81 E N 4.160 124.051 120.200 -0.515 0.000 2.097 81 E HA -0.146 4.225 4.350 0.035 0.000 0.196 81 E C 2.245 178.330 176.600 -0.857 0.000 1.000 81 E CA 1.999 58.054 56.400 -0.575 0.000 0.804 81 E CB -0.528 28.911 29.700 -0.435 0.000 0.740 81 E HN 0.887 nan 8.360 nan 0.000 0.454 82 G N -1.004 106.693 108.800 -1.837 0.000 2.485 82 G HA2 -0.320 3.662 3.960 0.035 0.000 0.221 82 G HA3 -0.320 3.662 3.960 0.035 0.000 0.221 82 G C 1.648 176.377 174.900 -0.285 0.000 1.115 82 G CA 1.770 46.007 45.100 -1.438 0.000 0.751 82 G HN 0.504 nan 8.290 nan 0.000 0.567 83 T N -1.921 112.451 114.554 -0.303 0.000 3.046 83 T HA 0.140 4.512 4.350 0.035 0.000 0.242 83 T C 1.890 176.688 174.700 0.163 0.000 1.018 83 T CA 0.639 62.936 62.100 0.329 0.000 1.131 83 T CB 0.015 69.163 68.868 0.466 0.000 0.904 83 T HN 0.157 nan 8.240 nan 0.000 0.459 84 E N 2.491 122.661 120.200 -0.050 0.000 2.209 84 E HA -0.132 4.240 4.350 0.035 0.000 0.196 84 E C 2.208 178.693 176.600 -0.192 0.000 0.993 84 E CA 1.363 57.712 56.400 -0.085 0.000 0.819 84 E CB -0.546 29.082 29.700 -0.119 0.000 0.745 84 E HN 0.780 nan 8.360 nan 0.000 0.477 85 M N -2.268 117.116 119.600 -0.359 0.000 2.446 85 M HA -0.065 4.436 4.480 0.035 0.000 0.263 85 M C 1.181 177.050 176.300 -0.720 0.000 1.066 85 M CA 1.397 56.338 55.300 -0.599 0.000 1.087 85 M CB -0.454 31.671 32.600 -0.792 0.000 1.406 85 M HN 0.004 nan 8.290 nan 0.000 0.459 86 W N 0.821 122.061 121.300 -0.100 0.000 3.177 86 W HA 0.306 4.987 4.660 0.035 0.000 0.309 86 W C 0.387 176.841 176.519 -0.108 0.000 1.224 86 W CA -0.941 56.336 57.345 -0.114 0.000 1.718 86 W CB -0.087 29.356 29.460 -0.029 0.000 1.078 86 W HN 0.090 nan 8.180 nan 0.000 0.618 87 N N 1.549 120.275 118.700 0.043 0.000 2.467 87 N HA 0.145 4.906 4.740 0.035 0.000 0.262 87 N C -2.393 173.063 175.510 -0.090 0.000 1.234 87 N CA -1.389 51.659 53.050 -0.003 0.000 0.952 87 N CB -0.063 38.418 38.487 -0.010 0.000 1.158 87 N HN -0.342 nan 8.380 nan 0.000 0.463 88 P HA 0.019 nan 4.420 nan 0.000 0.264 88 P C 0.167 177.382 177.300 -0.143 0.000 1.183 88 P CA 0.154 63.166 63.100 -0.146 0.000 0.763 88 P CB 0.297 31.905 31.700 -0.153 0.000 0.807 89 N N 2.220 120.824 118.700 -0.160 0.000 2.282 89 N HA 0.116 4.877 4.740 0.035 0.000 0.240 89 N C 0.003 175.447 175.510 -0.110 0.000 1.182 89 N CA -0.153 52.813 53.050 -0.140 0.000 0.874 89 N CB 0.423 38.810 38.487 -0.167 0.000 1.126 89 N HN 0.160 nan 8.380 nan 0.000 0.516 90 R N -0.171 120.263 120.500 -0.110 0.000 2.752 90 R HA 0.295 4.656 4.340 0.035 0.000 0.271 90 R C -0.516 175.729 176.300 -0.092 0.000 1.026 90 R CA -0.578 55.472 56.100 -0.083 0.000 0.901 90 R CB 0.737 30.995 30.300 -0.069 0.000 1.243 90 R HN 0.098 nan 8.270 nan 0.000 0.463 91 E N 1.579 121.733 120.200 -0.076 0.000 2.442 91 E HA 0.055 4.427 4.350 0.035 0.000 0.262 91 E C -0.023 176.523 176.600 -0.091 0.000 1.004 91 E CA 0.226 56.581 56.400 -0.074 0.000 0.928 91 E CB 0.483 30.150 29.700 -0.055 0.000 0.937 91 E HN 0.264 nan 8.360 nan 0.000 0.446 92 L N 1.898 123.053 121.223 -0.113 0.000 2.371 92 L HA 0.257 4.619 4.340 0.035 0.000 0.272 92 L C 0.652 177.515 176.870 -0.012 0.000 1.124 92 L CA -0.021 54.718 54.840 -0.168 0.000 0.816 92 L CB 1.018 42.820 42.059 -0.429 0.000 1.129 92 L HN 0.434 nan 8.230 nan 0.000 0.448 93 S N 1.066 116.781 115.700 0.026 0.000 2.565 93 S HA 0.174 4.665 4.470 0.035 0.000 0.274 93 S C 0.041 174.634 174.600 -0.012 0.000 1.144 93 S CA -0.688 57.550 58.200 0.064 0.000 0.849 93 S CB 1.525 64.731 63.200 0.010 0.000 1.103 93 S HN 0.740 nan 8.310 nan 0.000 0.455 94 E N 0.765 120.904 120.200 -0.103 0.000 2.427 94 E HA -0.022 4.349 4.350 0.035 0.000 0.196 94 E C -0.402 176.125 176.600 -0.123 0.000 1.028 94 E CA 0.358 56.628 56.400 -0.217 0.000 0.864 94 E CB 0.119 29.636 29.700 -0.305 0.000 0.813 94 E HN 0.537 nan 8.360 nan 0.000 0.514 95 D N 0.442 120.810 120.400 -0.054 0.000 2.453 95 D HA 0.008 4.669 4.640 0.035 0.000 0.223 95 D C 0.085 176.450 176.300 0.109 0.000 1.183 95 D CA -0.361 53.640 54.000 0.002 0.000 0.933 95 D CB 0.110 40.931 40.800 0.034 0.000 1.038 95 D HN 0.122 nan 8.370 nan 0.000 0.513 96 c N 2.600 121.229 118.600 0.048 0.000 3.865 96 c HA 0.360 4.951 4.570 0.035 0.000 0.297 96 c C 0.627 174.745 174.090 0.047 0.000 1.758 96 c CA -0.647 55.774 56.329 0.153 0.000 1.778 96 c CB -1.237 41.304 42.510 0.052 0.000 3.158 96 c HN 0.457 nan 8.230 nan 0.000 0.598 97 L N 2.563 123.548 121.223 -0.397 0.000 2.395 97 L HA 0.380 4.741 4.340 0.035 0.000 0.268 97 L C -0.936 175.206 176.870 -1.213 0.000 1.223 97 L CA 0.592 54.968 54.840 -0.774 0.000 1.093 97 L CB -0.734 40.743 42.059 -0.969 0.000 1.349 97 L HN 0.389 nan 8.230 nan 0.000 0.427 98 Y N 1.769 121.994 120.300 -0.124 0.000 2.545 98 Y HA 0.622 5.193 4.550 0.035 0.000 0.348 98 Y C -0.041 176.046 175.900 0.312 0.000 1.002 98 Y CA -1.228 56.899 58.100 0.046 0.000 1.039 98 Y CB 1.986 40.438 38.460 -0.014 0.000 1.271 98 Y HN 0.197 nan 8.280 nan 0.000 0.467 99 L N -0.128 121.290 121.223 0.325 0.000 2.279 99 L HA 0.790 5.151 4.340 0.035 0.000 0.262 99 L C -1.144 175.753 176.870 0.044 0.000 1.019 99 L CA -1.136 53.781 54.840 0.129 0.000 0.823 99 L CB 1.537 43.499 42.059 -0.162 0.000 1.358 99 L HN 0.468 nan 8.230 nan 0.000 0.432 100 N N -0.234 118.494 118.700 0.048 0.000 2.240 100 N HA 0.756 5.517 4.740 0.035 0.000 0.302 100 N C -1.540 173.921 175.510 -0.081 0.000 1.106 100 N CA -0.421 52.587 53.050 -0.069 0.000 0.778 100 N CB 2.820 41.283 38.487 -0.039 0.000 1.431 100 N HN 0.505 nan 8.380 nan 0.000 0.479 101 V N 1.038 120.826 119.914 -0.210 0.000 2.638 101 V HA 0.487 4.628 4.120 0.035 0.000 0.306 101 V C -0.945 175.140 176.094 -0.014 0.000 1.052 101 V CA -0.785 61.488 62.300 -0.045 0.000 0.885 101 V CB 2.514 34.183 31.823 -0.256 0.000 0.999 101 V HN 0.555 nan 8.190 nan 0.000 0.424 102 W N 2.694 124.108 121.300 0.190 0.000 2.702 102 W HA 0.718 5.399 4.660 0.036 0.000 0.331 102 W C 0.007 176.655 176.519 0.213 0.000 1.049 102 W CA -0.408 57.052 57.345 0.192 0.000 1.230 102 W CB 2.537 32.085 29.460 0.147 0.000 1.408 102 W HN 0.691 nan 8.180 nan 0.000 0.492 103 T N 0.029 114.864 114.554 0.467 0.000 2.883 103 T HA 0.519 4.891 4.350 0.035 0.000 0.301 103 T C -2.821 172.070 174.700 0.317 0.000 1.158 103 T CA -2.106 60.217 62.100 0.371 0.000 1.007 103 T CB 2.402 71.514 68.868 0.406 0.000 1.186 103 T HN 0.042 nan 8.240 nan 0.000 0.499 104 P HA 0.192 nan 4.420 nan 0.000 0.272 104 P C -1.483 175.963 177.300 0.242 0.000 1.223 104 P CA -0.272 62.956 63.100 0.212 0.000 0.784 104 P CB 0.367 32.157 31.700 0.150 0.000 0.923 105 Y N 3.801 124.162 120.300 0.103 0.000 2.334 105 Y HA 0.372 4.943 4.550 0.035 0.000 0.336 105 Y C -1.960 173.979 175.900 0.066 0.000 0.960 105 Y CA -2.343 55.809 58.100 0.087 0.000 1.164 105 Y CB 1.110 39.608 38.460 0.063 0.000 1.155 105 Y HN 0.292 nan 8.280 nan 0.000 0.478 106 P HA 0.217 nan 4.420 nan 0.000 0.274 106 P C -0.862 176.385 177.300 -0.089 0.000 1.237 106 P CA -0.467 62.399 63.100 -0.389 0.000 0.793 106 P CB 1.138 32.644 31.700 -0.323 0.000 0.977 107 R N 1.671 122.149 120.500 -0.036 0.000 2.523 107 R HA 0.052 4.413 4.340 0.035 0.000 0.281 107 R C -1.827 174.499 176.300 0.043 0.000 0.969 107 R CA -0.810 55.331 56.100 0.069 0.000 1.093 107 R CB -1.166 29.184 30.300 0.083 0.000 0.917 107 R HN 0.430 nan 8.270 nan 0.000 0.408 108 P HA -0.149 nan 4.420 nan 0.000 0.263 108 P C 0.075 177.395 177.300 0.033 0.000 1.168 108 P CA 0.532 63.666 63.100 0.055 0.000 0.759 108 P CB 0.597 32.342 31.700 0.076 0.000 0.782 109 A N 2.771 125.604 122.820 0.021 0.000 1.929 109 A HA 0.012 4.353 4.320 0.035 0.000 0.216 109 A C 0.872 178.463 177.584 0.011 0.000 1.176 109 A CA 1.472 53.515 52.037 0.010 0.000 0.628 109 A CB -0.564 18.440 19.000 0.006 0.000 0.816 109 A HN 0.612 nan 8.150 nan 0.000 0.444 110 S N -0.836 114.874 115.700 0.017 0.000 2.568 110 S HA 0.610 5.101 4.470 0.035 0.000 0.302 110 S C -3.120 171.494 174.600 0.023 0.000 1.082 110 S CA -1.885 56.324 58.200 0.014 0.000 1.009 110 S CB 1.159 64.365 63.200 0.009 0.000 1.069 110 S HN -0.001 nan 8.310 nan 0.000 0.500 111 P HA 0.085 nan 4.420 nan 0.000 0.257 111 P C -0.619 176.699 177.300 0.031 0.000 1.162 111 P CA 0.585 63.701 63.100 0.027 0.000 0.762 111 P CB -0.025 31.683 31.700 0.013 0.000 0.753 112 T N 6.452 121.036 114.554 0.050 0.000 2.824 112 T HA 0.387 4.758 4.350 0.035 0.000 0.280 112 T C -2.328 172.406 174.700 0.056 0.000 0.995 112 T CA -1.771 60.361 62.100 0.053 0.000 1.009 112 T CB 0.871 69.783 68.868 0.074 0.000 0.955 112 T HN 0.249 nan 8.240 nan 0.000 0.452 113 P HA 0.106 nan 4.420 nan 0.000 0.266 113 P C -0.760 176.583 177.300 0.072 0.000 1.195 113 P CA -0.183 62.941 63.100 0.040 0.000 0.768 113 P CB 0.483 32.189 31.700 0.009 0.000 0.838 114 V N 4.737 124.709 119.914 0.097 0.000 2.472 114 V HA 0.312 4.453 4.120 0.035 0.000 0.290 114 V C 0.620 176.797 176.094 0.139 0.000 1.037 114 V CA -0.636 61.742 62.300 0.129 0.000 0.908 114 V CB 1.295 33.205 31.823 0.145 0.000 0.985 114 V HN 0.403 nan 8.190 nan 0.000 0.454 115 L N 5.660 126.980 121.223 0.163 0.000 2.305 115 L HA 0.588 4.949 4.340 0.035 0.000 0.284 115 L C -0.674 176.428 176.870 0.387 0.000 1.013 115 L CA -0.247 54.706 54.840 0.188 0.000 0.819 115 L CB 1.575 43.652 42.059 0.030 0.000 1.227 115 L HN 0.517 nan 8.230 nan 0.000 0.417 116 I N 3.443 124.275 120.570 0.437 0.000 2.355 116 I HA 0.199 4.391 4.170 0.035 0.000 0.288 116 I C -0.586 175.836 176.117 0.508 0.000 0.999 116 I CA -0.402 61.140 61.300 0.404 0.000 1.163 116 I CB 1.226 39.333 38.000 0.179 0.000 1.316 116 I HN 0.619 nan 8.210 nan 0.000 0.454 117 W N 8.529 129.961 121.300 0.219 0.000 2.315 117 W HA 0.564 5.245 4.660 0.035 0.000 0.316 117 W C -1.472 174.937 176.519 -0.183 0.000 1.211 117 W CA -0.560 56.663 57.345 -0.203 0.000 1.201 117 W CB 1.158 30.509 29.460 -0.181 0.000 1.184 117 W HN 0.341 nan 8.180 nan 0.000 0.544 118 I N 8.923 128.810 120.570 -1.138 0.000 2.439 118 I HA 0.066 4.257 4.170 0.035 0.000 0.283 118 I C -0.258 175.027 176.117 -1.386 0.000 1.023 118 I CA -1.076 59.647 61.300 -0.962 0.000 1.100 118 I CB 0.871 38.486 38.000 -0.642 0.000 1.238 118 I HN 0.309 nan 8.210 nan 0.000 0.445 119 Y N 4.743 124.515 120.300 -0.880 0.000 2.385 119 Y HA 0.700 5.271 4.550 0.035 0.000 0.346 119 Y C 0.728 176.413 175.900 -0.359 0.000 1.270 119 Y CA -0.776 56.915 58.100 -0.681 0.000 1.472 119 Y CB -0.088 38.171 38.460 -0.336 0.000 1.354 119 Y HN 0.487 nan 8.280 nan 0.000 0.611 120 G N -1.477 107.330 108.800 0.011 0.000 2.753 120 G HA2 0.513 4.494 3.960 0.035 0.000 0.285 120 G HA3 0.513 4.494 3.960 0.035 0.000 0.285 120 G C 0.104 174.936 174.900 -0.112 0.000 1.344 120 G CA -0.977 44.046 45.100 -0.127 0.000 1.050 120 G HN 1.680 nan 8.290 nan 0.000 0.532 121 G N -2.605 105.970 108.800 -0.375 0.000 2.334 121 G HA2 0.417 4.398 3.960 0.035 0.000 0.222 121 G HA3 0.417 4.398 3.960 0.035 0.000 0.222 121 G C 0.996 175.345 174.900 -0.918 0.000 1.077 121 G CA 0.706 45.467 45.100 -0.565 0.000 0.861 121 G HN 2.294 nan 8.290 nan 0.000 0.508 122 G N -0.407 107.846 108.800 -0.913 0.000 2.269 122 G HA2 -0.137 3.844 3.960 0.035 0.000 0.277 122 G HA3 -0.137 3.844 3.960 0.035 0.000 0.277 122 G C 0.925 175.485 174.900 -0.568 0.000 1.008 122 G CA 0.829 45.140 45.100 -1.315 0.000 0.774 122 G HN 1.759 nan 8.290 nan 0.000 0.511 123 F N -3.463 116.323 119.950 -0.273 0.000 2.871 123 F HA -0.300 4.249 4.527 0.035 0.000 0.326 123 F C 1.409 177.283 175.800 0.122 0.000 0.675 123 F CA 2.103 60.078 58.000 -0.042 0.000 1.188 123 F CB -2.045 36.804 39.000 -0.252 0.000 1.567 123 F HN 0.937 nan 8.300 nan 0.000 0.325 124 Y N -1.174 119.203 120.300 0.129 0.000 2.527 124 Y HA 0.672 5.243 4.550 0.035 0.000 0.247 124 Y C 0.509 176.514 175.900 0.174 0.000 1.138 124 Y CA 0.164 58.368 58.100 0.173 0.000 1.228 124 Y CB -0.021 38.468 38.460 0.048 0.000 1.252 124 Y HN 0.099 nan 8.280 nan 0.000 0.531 125 S N -0.921 114.533 115.700 -0.410 0.000 2.672 125 S HA 0.873 5.365 4.470 0.035 0.000 0.271 125 S C -0.177 174.246 174.600 -0.294 0.000 1.171 125 S CA -0.493 57.538 58.200 -0.282 0.000 0.817 125 S CB 1.448 64.440 63.200 -0.347 0.000 1.150 125 S HN 1.413 nan 8.310 nan 0.000 0.478 126 G N -0.644 107.952 108.800 -0.341 0.000 2.440 126 G HA2 0.559 4.540 3.960 0.035 0.000 0.684 126 G HA3 0.559 4.540 3.960 0.035 0.000 0.684 126 G C -0.653 173.591 174.900 -1.092 0.000 1.309 126 G CA -0.263 44.454 45.100 -0.638 0.000 0.931 126 G HN 2.325 nan 8.290 nan 0.000 0.612 127 A N -1.287 120.723 122.820 -1.351 0.000 2.590 127 A HA 0.968 5.309 4.320 0.035 0.000 0.296 127 A C 0.519 177.896 177.584 -0.344 0.000 1.050 127 A CA 0.714 52.231 52.037 -0.868 0.000 0.697 127 A CB 0.754 19.517 19.000 -0.394 0.000 1.277 127 A HN 2.601 nan 8.150 nan 0.000 0.411 128 A N 0.514 123.374 122.820 0.067 0.000 2.235 128 A HA 0.288 4.629 4.320 0.035 0.000 0.208 128 A C 1.611 179.197 177.584 0.003 0.000 1.172 128 A CA 1.732 53.952 52.037 0.305 0.000 0.786 128 A CB -0.595 18.646 19.000 0.402 0.000 0.804 128 A HN 1.850 nan 8.150 nan 0.000 0.479 129 S N -0.665 114.811 115.700 -0.374 0.000 2.556 129 S HA 0.335 4.827 4.470 0.035 0.000 0.216 129 S C 0.491 174.701 174.600 -0.650 0.000 0.970 129 S CA -0.478 57.072 58.200 -1.084 0.000 0.912 129 S CB -0.532 61.986 63.200 -1.136 0.000 0.790 129 S HN 0.377 nan 8.310 nan 0.000 0.504 130 L N 2.254 123.250 121.223 -0.379 0.000 2.483 130 L HA 0.128 4.490 4.340 0.035 0.000 0.275 130 L C 1.155 177.724 176.870 -0.503 0.000 1.220 130 L CA -0.379 54.174 54.840 -0.478 0.000 0.833 130 L CB 0.217 41.875 42.059 -0.669 0.000 1.102 130 L HN 0.113 nan 8.230 nan 0.000 0.490 131 D N 0.960 121.090 120.400 -0.451 0.000 2.178 131 D HA -0.127 4.534 4.640 0.035 0.000 0.201 131 D C 1.961 177.990 176.300 -0.452 0.000 0.980 131 D CA 1.232 55.026 54.000 -0.343 0.000 0.842 131 D CB -0.015 40.623 40.800 -0.270 0.000 0.948 131 D HN 0.525 nan 8.370 nan 0.000 0.472 132 V N -1.349 118.141 119.914 -0.708 0.000 3.241 132 V HA -0.136 4.005 4.120 0.035 0.000 0.269 132 V C 1.012 176.507 176.094 -0.999 0.000 1.151 132 V CA 0.968 62.818 62.300 -0.749 0.000 1.158 132 V CB -1.152 30.193 31.823 -0.797 0.000 0.764 132 V HN 0.046 nan 8.190 nan 0.000 0.508 133 Y N 0.000 119.761 120.300 -0.899 0.000 2.555 133 Y HA 0.450 5.021 4.550 0.035 0.000 0.259 133 Y C 0.862 176.145 175.900 -1.028 0.000 1.179 133 Y CA -1.972 55.193 58.100 -1.559 0.000 1.230 133 Y CB -0.638 37.288 38.460 -0.892 0.000 1.146 133 Y HN 0.237 nan 8.280 nan 0.000 0.526 134 D N 0.911 121.013 120.400 -0.497 0.000 2.451 134 D HA 0.028 4.689 4.640 0.035 0.000 0.254 134 D C 1.322 177.304 176.300 -0.530 0.000 1.204 134 D CA 0.573 54.357 54.000 -0.361 0.000 0.896 134 D CB 1.292 42.006 40.800 -0.142 0.000 1.136 134 D HN 0.465 nan 8.370 nan 0.000 0.499 135 G N 4.167 112.103 108.800 -1.441 0.000 3.141 135 G HA2 -0.119 3.862 3.960 0.035 0.000 0.218 135 G HA3 -0.119 3.862 3.960 0.035 0.000 0.218 135 G C 1.496 175.818 174.900 -0.963 0.000 1.170 135 G CA -0.093 44.340 45.100 -1.111 0.000 0.769 135 G HN 0.584 nan 8.290 nan 0.000 0.546 136 R N -0.263 119.647 120.500 -0.984 0.000 2.081 136 R HA -0.049 4.312 4.340 0.035 0.000 0.235 136 R C 1.652 177.720 176.300 -0.386 0.000 1.131 136 R CA 1.080 56.844 56.100 -0.560 0.000 0.960 136 R CB -0.843 29.143 30.300 -0.523 0.000 0.856 136 R HN 0.285 nan 8.270 nan 0.000 0.436 137 F N 1.953 121.826 119.950 -0.128 0.000 2.069 137 F HA -0.081 4.467 4.527 0.036 0.000 0.298 137 F C 2.522 178.277 175.800 -0.075 0.000 1.113 137 F CA 1.132 59.082 58.000 -0.084 0.000 1.214 137 F CB -0.806 38.137 39.000 -0.095 0.000 0.978 137 F HN -0.124 nan 8.300 nan 0.000 0.474 138 L N -0.364 120.908 121.223 0.082 0.000 2.083 138 L HA -0.200 4.161 4.340 0.035 0.000 0.209 138 L C 2.666 179.557 176.870 0.033 0.000 1.083 138 L CA 1.086 55.932 54.840 0.011 0.000 0.752 138 L CB -0.938 41.082 42.059 -0.065 0.000 0.899 138 L HN 0.193 nan 8.230 nan 0.000 0.433 139 A N -1.005 121.836 122.820 0.036 0.000 1.873 139 A HA -0.219 4.122 4.320 0.035 0.000 0.215 139 A C 2.294 179.934 177.584 0.093 0.000 1.186 139 A CA 1.409 53.504 52.037 0.097 0.000 0.616 139 A CB -0.435 18.661 19.000 0.160 0.000 0.823 139 A HN 0.367 nan 8.150 nan 0.000 0.442 140 Q N -0.052 119.789 119.800 0.068 0.000 2.020 140 Q HA -0.074 4.287 4.340 0.035 0.000 0.198 140 Q C 2.210 178.253 176.000 0.072 0.000 0.974 140 Q CA 1.999 57.846 55.803 0.075 0.000 0.829 140 Q CB -0.334 28.436 28.738 0.054 0.000 0.894 140 Q HN 0.398 nan 8.270 nan 0.000 0.433 141 V N 1.459 121.415 119.914 0.071 0.000 2.453 141 V HA -0.140 4.002 4.120 0.035 0.000 0.247 141 V C 1.685 177.804 176.094 0.041 0.000 1.048 141 V CA 1.687 64.020 62.300 0.055 0.000 1.049 141 V CB -0.213 31.642 31.823 0.053 0.000 0.672 141 V HN 0.261 nan 8.190 nan 0.000 0.457 142 E N -0.426 119.797 120.200 0.039 0.000 2.498 142 E HA 0.221 4.592 4.350 0.035 0.000 0.203 142 E C 1.645 178.272 176.600 0.045 0.000 1.013 142 E CA 0.703 57.122 56.400 0.032 0.000 0.927 142 E CB 0.596 30.308 29.700 0.019 0.000 1.012 142 E HN 0.580 nan 8.360 nan 0.000 0.482 143 G N 1.851 110.688 108.800 0.061 0.000 2.198 143 G HA2 -0.300 3.682 3.960 0.035 0.000 0.260 143 G HA3 -0.300 3.682 3.960 0.035 0.000 0.260 143 G C 0.446 175.397 174.900 0.084 0.000 1.025 143 G CA 0.427 45.572 45.100 0.075 0.000 0.769 143 G HN 0.463 nan 8.290 nan 0.000 0.507 144 A N -0.862 122.009 122.820 0.084 0.000 2.302 144 A HA 0.752 5.093 4.320 0.035 0.000 0.285 144 A C 0.394 178.066 177.584 0.147 0.000 1.105 144 A CA -0.137 51.956 52.037 0.094 0.000 0.816 144 A CB 1.470 20.507 19.000 0.063 0.000 1.067 144 A HN 1.088 nan 8.150 nan 0.000 0.489 145 V N 3.070 123.079 119.914 0.158 0.000 2.348 145 V HA 0.291 4.432 4.120 0.035 0.000 0.270 145 V C -0.160 176.072 176.094 0.231 0.000 1.037 145 V CA -0.024 62.399 62.300 0.205 0.000 0.872 145 V CB 0.577 32.506 31.823 0.178 0.000 1.002 145 V HN 0.717 nan 8.190 nan 0.000 0.464 146 L N 6.638 128.052 121.223 0.319 0.000 2.307 146 L HA 0.735 5.096 4.340 0.035 0.000 0.284 146 L C -0.656 176.509 176.870 0.491 0.000 1.023 146 L CA -0.142 54.933 54.840 0.393 0.000 0.810 146 L CB 1.734 44.018 42.059 0.375 0.000 1.231 146 L HN 0.421 nan 8.230 nan 0.000 0.423 147 V N 2.898 123.078 119.914 0.442 0.000 2.735 147 V HA 0.731 4.872 4.120 0.035 0.000 0.310 147 V C -0.591 175.763 176.094 0.434 0.000 1.061 147 V CA -0.494 62.031 62.300 0.375 0.000 0.913 147 V CB 2.000 33.963 31.823 0.234 0.000 1.005 147 V HN 0.841 nan 8.190 nan 0.000 0.428 148 S N 4.716 120.661 115.700 0.408 0.000 2.548 148 S HA 0.858 5.350 4.470 0.035 0.000 0.276 148 S C -0.882 173.874 174.600 0.261 0.000 1.129 148 S CA -0.822 57.620 58.200 0.403 0.000 0.931 148 S CB 2.173 65.732 63.200 0.599 0.000 1.068 148 S HN 0.905 nan 8.310 nan 0.000 0.480 149 M N 1.329 121.031 119.600 0.170 0.000 2.662 149 M HA 0.672 5.173 4.480 0.035 0.000 0.310 149 M C -1.660 174.820 176.300 0.301 0.000 1.204 149 M CA -0.575 54.822 55.300 0.162 0.000 0.891 149 M CB 1.096 33.629 32.600 -0.110 0.000 1.732 149 M HN 0.540 nan 8.290 nan 0.000 0.467 150 N N 2.078 121.025 118.700 0.412 0.000 2.509 150 N HA 0.654 5.415 4.740 0.035 0.000 0.287 150 N C -1.517 174.236 175.510 0.404 0.000 1.121 150 N CA 0.072 53.371 53.050 0.416 0.000 0.977 150 N CB 0.789 39.466 38.487 0.316 0.000 1.167 150 N HN 0.722 nan 8.380 nan 0.000 0.476 151 Y N -1.850 118.612 120.300 0.270 0.000 2.562 151 Y HA 0.560 5.131 4.550 0.035 0.000 0.345 151 Y C -0.173 175.854 175.900 0.211 0.000 1.045 151 Y CA -1.320 56.894 58.100 0.191 0.000 1.028 151 Y CB 0.923 39.429 38.460 0.076 0.000 1.297 151 Y HN 0.197 nan 8.280 nan 0.000 0.463 152 R N 1.967 122.612 120.500 0.241 0.000 2.570 152 R HA 0.451 4.812 4.340 0.035 0.000 0.277 152 R C -0.191 176.273 176.300 0.274 0.000 1.039 152 R CA -0.024 56.174 56.100 0.163 0.000 1.065 152 R CB 0.746 31.101 30.300 0.093 0.000 0.964 152 R HN 0.713 nan 8.270 nan 0.000 0.428 153 V N -0.196 119.905 119.914 0.312 0.000 3.181 153 V HA 0.878 5.019 4.120 0.035 0.000 0.314 153 V C 0.788 177.201 176.094 0.532 0.000 1.173 153 V CA -0.147 62.454 62.300 0.502 0.000 1.052 153 V CB 1.111 33.136 31.823 0.336 0.000 1.123 153 V HN 0.963 nan 8.190 nan 0.000 0.454 154 G N 1.500 110.649 108.800 0.581 0.000 2.574 154 G HA2 -0.303 3.678 3.960 0.035 0.000 0.282 154 G HA3 -0.303 3.678 3.960 0.035 0.000 0.282 154 G C 1.036 176.086 174.900 0.250 0.000 1.257 154 G CA 1.616 46.985 45.100 0.448 0.000 0.956 154 G HN 2.360 nan 8.290 nan 0.000 0.560 155 T N -1.802 112.613 114.554 -0.233 0.000 2.746 155 T HA -0.054 4.317 4.350 0.035 0.000 0.267 155 T C 2.152 176.688 174.700 -0.274 0.000 1.039 155 T CA 2.530 64.233 62.100 -0.662 0.000 1.142 155 T CB -0.407 67.909 68.868 -0.920 0.000 0.866 155 T HN 0.582 nan 8.240 nan 0.000 0.444 156 F N 2.226 122.215 119.950 0.066 0.000 2.202 156 F HA 0.206 4.754 4.527 0.035 0.000 0.301 156 F C 2.712 178.491 175.800 -0.036 0.000 1.082 156 F CA 0.870 58.862 58.000 -0.014 0.000 1.313 156 F CB -0.889 38.080 39.000 -0.052 0.000 1.024 156 F HN 0.391 nan 8.300 nan 0.000 0.495 157 G N -2.286 106.561 108.800 0.079 0.000 2.833 157 G HA2 0.065 4.046 3.960 0.035 0.000 0.210 157 G HA3 0.065 4.046 3.960 0.035 0.000 0.210 157 G C 0.819 175.169 174.900 -0.917 0.000 1.139 157 G CA 0.138 45.017 45.100 -0.367 0.000 0.771 157 G HN 0.343 nan 8.290 nan 0.000 0.535 158 F N -0.536 119.500 119.950 0.143 0.000 2.915 158 F HA 0.428 4.976 4.527 0.036 0.000 0.347 158 F C 0.464 176.338 175.800 0.123 0.000 1.104 158 F CA -0.985 57.080 58.000 0.109 0.000 1.126 158 F CB 0.373 39.443 39.000 0.116 0.000 1.145 158 F HN -0.087 nan 8.300 nan 0.000 0.541 159 L N 2.125 123.388 121.223 0.066 0.000 2.513 159 L HA 0.544 4.905 4.340 0.035 0.000 0.272 159 L C -0.018 176.816 176.870 -0.060 0.000 1.187 159 L CA 0.070 54.856 54.840 -0.089 0.000 0.895 159 L CB 0.367 42.091 42.059 -0.558 0.000 1.147 159 L HN 0.126 nan 8.230 nan 0.000 0.483 160 A N 6.207 129.038 122.820 0.019 0.000 2.475 160 A HA 0.704 5.046 4.320 0.035 0.000 0.301 160 A C -1.049 176.512 177.584 -0.038 0.000 1.059 160 A CA -0.609 51.417 52.037 -0.019 0.000 0.710 160 A CB 1.428 20.450 19.000 0.036 0.000 1.288 160 A HN 0.716 nan 8.150 nan 0.000 0.408 161 L N 2.507 123.696 121.223 -0.057 0.000 2.495 161 L HA 0.290 4.651 4.340 0.035 0.000 0.248 161 L C -2.531 174.325 176.870 -0.023 0.000 1.229 161 L CA -1.786 53.026 54.840 -0.047 0.000 0.942 161 L CB 1.465 43.481 42.059 -0.072 0.000 1.242 161 L HN 0.416 nan 8.230 nan 0.000 0.484 162 P HA -0.045 nan 4.420 nan 0.000 0.259 162 P C 1.000 178.301 177.300 0.001 0.000 1.163 162 P CA 1.235 64.336 63.100 0.001 0.000 0.760 162 P CB 0.696 32.398 31.700 0.003 0.000 0.762 163 G N 1.910 110.714 108.800 0.007 0.000 2.284 163 G HA2 -0.257 3.724 3.960 0.035 0.000 0.230 163 G HA3 -0.257 3.724 3.960 0.035 0.000 0.230 163 G C 0.492 175.396 174.900 0.006 0.000 1.021 163 G CA 0.245 45.349 45.100 0.007 0.000 0.619 163 G HN 0.815 nan 8.290 nan 0.000 0.510 164 S N -0.129 115.572 115.700 0.001 0.000 2.608 164 S HA 0.618 5.109 4.470 0.035 0.000 0.261 164 S C 1.215 175.821 174.600 0.010 0.000 1.314 164 S CA 0.502 58.703 58.200 0.001 0.000 0.992 164 S CB 1.463 64.656 63.200 -0.011 0.000 0.935 164 S HN 0.478 nan 8.310 nan 0.000 0.564 165 R N 0.362 120.870 120.500 0.014 0.000 2.206 165 R HA 0.081 4.443 4.340 0.035 0.000 0.198 165 R C 1.566 177.885 176.300 0.032 0.000 0.986 165 R CA 0.699 56.812 56.100 0.023 0.000 1.029 165 R CB -0.035 30.279 30.300 0.022 0.000 0.966 165 R HN 0.823 nan 8.270 nan 0.000 0.487 166 E N 0.238 120.457 120.200 0.031 0.000 2.474 166 E HA 0.070 4.441 4.350 0.035 0.000 0.194 166 E C 0.160 176.802 176.600 0.070 0.000 1.041 166 E CA 0.302 56.734 56.400 0.053 0.000 0.874 166 E CB 0.787 30.521 29.700 0.056 0.000 0.914 166 E HN 0.134 nan 8.360 nan 0.000 0.498 167 A N 2.424 125.258 122.820 0.024 0.000 3.474 167 A HA 0.306 4.647 4.320 0.035 0.000 0.251 167 A C -2.070 175.509 177.584 -0.007 0.000 1.062 167 A CA -0.843 51.192 52.037 -0.004 0.000 0.945 167 A CB 0.759 19.671 19.000 -0.146 0.000 1.296 167 A HN -0.073 nan 8.150 nan 0.000 0.592 168 P HA 0.098 nan 4.420 nan 0.000 0.226 168 P C 0.922 178.237 177.300 0.025 0.000 1.153 168 P CA 1.873 64.988 63.100 0.025 0.000 0.777 168 P CB 0.108 31.832 31.700 0.040 0.000 0.794 169 G N 0.829 109.640 108.800 0.018 0.000 2.730 169 G HA2 -0.187 3.794 3.960 0.035 0.000 0.686 169 G HA3 -0.187 3.794 3.960 0.035 0.000 0.686 169 G C -0.074 174.822 174.900 -0.006 0.000 1.343 169 G CA -0.304 44.810 45.100 0.023 0.000 0.826 169 G HN 0.163 nan 8.290 nan 0.000 0.582 170 N N -2.308 116.388 118.700 -0.007 0.000 2.713 170 N HA -0.292 4.469 4.740 0.035 0.000 0.251 170 N C 1.898 177.264 175.510 -0.241 0.000 1.117 170 N CA 2.334 55.319 53.050 -0.108 0.000 0.770 170 N CB -1.668 36.689 38.487 -0.216 0.000 1.137 170 N HN 1.913 nan 8.380 nan 0.000 0.566 171 V N -2.619 117.152 119.914 -0.238 0.000 2.594 171 V HA -0.022 4.120 4.120 0.035 0.000 0.253 171 V C 2.339 178.306 176.094 -0.212 0.000 1.069 171 V CA 2.268 64.473 62.300 -0.158 0.000 1.082 171 V CB -0.932 30.846 31.823 -0.076 0.000 0.680 171 V HN 0.273 nan 8.190 nan 0.000 0.469 172 G N 0.364 108.852 108.800 -0.520 0.000 2.432 172 G HA2 -0.141 3.840 3.960 0.035 0.000 0.219 172 G HA3 -0.141 3.840 3.960 0.035 0.000 0.219 172 G C 1.549 176.413 174.900 -0.059 0.000 1.135 172 G CA 1.154 46.072 45.100 -0.303 0.000 0.767 172 G HN 0.545 nan 8.290 nan 0.000 0.550 173 L N -0.280 120.853 121.223 -0.150 0.000 2.179 173 L HA 0.137 4.498 4.340 0.035 0.000 0.208 173 L C 2.732 179.582 176.870 -0.034 0.000 1.096 173 L CA 0.246 54.949 54.840 -0.229 0.000 0.779 173 L CB -0.212 41.360 42.059 -0.811 0.000 0.922 173 L HN 0.176 nan 8.230 nan 0.000 0.443 174 L N -0.600 120.620 121.223 -0.005 0.000 2.201 174 L HA -0.175 4.186 4.340 0.035 0.000 0.212 174 L C 2.060 179.040 176.870 0.182 0.000 1.105 174 L CA 0.674 55.618 54.840 0.174 0.000 0.775 174 L CB -0.513 41.634 42.059 0.147 0.000 0.913 174 L HN 0.256 nan 8.230 nan 0.000 0.440 175 D N 0.022 120.518 120.400 0.161 0.000 2.097 175 D HA -0.193 4.468 4.640 0.035 0.000 0.195 175 D C 2.270 178.701 176.300 0.218 0.000 0.989 175 D CA 1.181 55.353 54.000 0.288 0.000 0.827 175 D CB -0.175 40.819 40.800 0.323 0.000 0.966 175 D HN 0.381 nan 8.370 nan 0.000 0.456 176 Q N 0.184 120.046 119.800 0.103 0.000 2.096 176 Q HA -0.141 4.220 4.340 0.035 0.000 0.204 176 Q C 2.277 178.240 176.000 -0.061 0.000 0.982 176 Q CA 1.102 56.880 55.803 -0.041 0.000 0.850 176 Q CB -0.085 28.617 28.738 -0.059 0.000 0.901 176 Q HN 0.196 nan 8.270 nan 0.000 0.422 177 R N 0.582 121.156 120.500 0.123 0.000 2.081 177 R HA -0.177 4.184 4.340 0.035 0.000 0.235 177 R C 2.191 178.537 176.300 0.075 0.000 1.131 177 R CA 1.066 57.239 56.100 0.122 0.000 0.960 177 R CB -0.228 30.262 30.300 0.317 0.000 0.856 177 R HN 0.233 nan 8.270 nan 0.000 0.436 178 L N 0.768 122.064 121.223 0.121 0.000 2.046 178 L HA -0.039 4.322 4.340 0.035 0.000 0.208 178 L C 2.272 179.167 176.870 0.041 0.000 1.077 178 L CA 2.113 57.050 54.840 0.161 0.000 0.747 178 L CB -0.708 41.536 42.059 0.308 0.000 0.896 178 L HN 0.261 nan 8.230 nan 0.000 0.432 179 A N -0.833 121.806 122.820 -0.303 0.000 1.933 179 A HA -0.170 4.171 4.320 0.035 0.000 0.218 179 A C 2.105 179.618 177.584 -0.118 0.000 1.175 179 A CA 1.855 53.539 52.037 -0.589 0.000 0.628 179 A CB -0.797 17.629 19.000 -0.956 0.000 0.814 179 A HN 0.419 nan 8.150 nan 0.000 0.444 180 L N -0.388 120.778 121.223 -0.096 0.000 2.083 180 L HA -0.181 4.180 4.340 0.035 0.000 0.209 180 L C 2.628 179.536 176.870 0.063 0.000 1.083 180 L CA 1.972 56.798 54.840 -0.024 0.000 0.752 180 L CB -1.065 40.938 42.059 -0.092 0.000 0.899 180 L HN 0.470 nan 8.230 nan 0.000 0.433 181 Q N -2.400 117.451 119.800 0.085 0.000 2.119 181 Q HA -0.254 4.108 4.340 0.035 0.000 0.201 181 Q C 2.122 178.203 176.000 0.135 0.000 0.972 181 Q CA 1.711 57.575 55.803 0.101 0.000 0.847 181 Q CB -0.352 28.453 28.738 0.112 0.000 0.903 181 Q HN 0.593 nan 8.270 nan 0.000 0.433 182 W N 0.168 121.475 121.300 0.013 0.000 2.358 182 W HA -0.214 4.467 4.660 0.035 0.000 0.303 182 W C 1.743 178.288 176.519 0.043 0.000 1.208 182 W CA 1.224 58.598 57.345 0.049 0.000 1.274 182 W CB -0.101 29.392 29.460 0.055 0.000 1.138 182 W HN -0.143 nan 8.180 nan 0.000 0.515 183 V N 0.939 121.032 119.914 0.298 0.000 2.343 183 V HA -0.345 3.796 4.120 0.035 0.000 0.247 183 V C 2.577 178.659 176.094 -0.020 0.000 1.051 183 V CA 2.079 64.467 62.300 0.147 0.000 1.036 183 V CB -0.991 30.947 31.823 0.193 0.000 0.654 183 V HN 0.196 nan 8.190 nan 0.000 0.451 184 Q N 0.017 119.821 119.800 0.006 0.000 2.096 184 Q HA -0.243 4.118 4.340 0.035 0.000 0.204 184 Q C 2.186 178.143 176.000 -0.072 0.000 0.982 184 Q CA 1.927 57.724 55.803 -0.009 0.000 0.850 184 Q CB -0.312 28.432 28.738 0.010 0.000 0.901 184 Q HN 0.754 nan 8.270 nan 0.000 0.422 185 E N -0.344 119.773 120.200 -0.139 0.000 2.216 185 E HA -0.019 4.352 4.350 0.035 0.000 0.192 185 E C 1.228 177.655 176.600 -0.288 0.000 0.988 185 E CA 0.526 56.813 56.400 -0.188 0.000 0.834 185 E CB 0.201 29.791 29.700 -0.182 0.000 0.772 185 E HN 0.340 nan 8.360 nan 0.000 0.479 186 N N -0.147 118.267 118.700 -0.476 0.000 2.239 186 N HA 0.036 4.797 4.740 0.035 0.000 0.208 186 N C 1.423 176.808 175.510 -0.208 0.000 1.200 186 N CA 0.013 52.761 53.050 -0.503 0.000 0.895 186 N CB 0.540 38.358 38.487 -1.115 0.000 1.085 186 N HN 0.026 nan 8.380 nan 0.000 0.500 187 I N 2.694 123.174 120.570 -0.151 0.000 2.264 187 I HA -0.170 4.021 4.170 0.035 0.000 0.248 187 I C 2.257 178.475 176.117 0.168 0.000 1.111 187 I CA 0.739 62.087 61.300 0.080 0.000 1.382 187 I CB -0.407 37.629 38.000 0.060 0.000 1.060 187 I HN 0.084 nan 8.210 nan 0.000 0.418 188 A N 0.338 123.191 122.820 0.055 0.000 1.948 188 A HA -0.224 4.117 4.320 0.035 0.000 0.220 188 A C 2.487 180.086 177.584 0.026 0.000 1.177 188 A CA 1.962 54.022 52.037 0.038 0.000 0.636 188 A CB -1.268 17.727 19.000 -0.009 0.000 0.815 188 A HN 0.502 nan 8.150 nan 0.000 0.449 189 A N -1.780 121.025 122.820 -0.026 0.000 2.131 189 A HA 0.034 4.375 4.320 0.035 0.000 0.220 189 A C 1.570 178.985 177.584 -0.283 0.000 1.158 189 A CA 1.365 53.289 52.037 -0.188 0.000 0.665 189 A CB -0.659 18.145 19.000 -0.326 0.000 0.795 189 A HN 0.520 nan 8.150 nan 0.000 0.460 190 F N -1.559 118.341 119.950 -0.084 0.000 2.695 190 F HA 0.388 4.936 4.527 0.036 0.000 0.303 190 F C 1.747 177.554 175.800 0.012 0.000 1.091 190 F CA 0.481 58.444 58.000 -0.062 0.000 1.300 190 F CB 0.320 39.291 39.000 -0.049 0.000 1.071 190 F HN 0.316 nan 8.300 nan 0.000 0.578 191 G N 0.337 109.233 108.800 0.161 0.000 2.141 191 G HA2 -0.143 3.838 3.960 0.035 0.000 0.231 191 G HA3 -0.143 3.838 3.960 0.035 0.000 0.231 191 G C 0.518 175.492 174.900 0.122 0.000 0.984 191 G CA -0.295 44.874 45.100 0.116 0.000 0.660 191 G HN 0.708 nan 8.290 nan 0.000 0.525 192 G N -0.505 108.381 108.800 0.145 0.000 2.425 192 G HA2 0.502 4.483 3.960 0.035 0.000 0.302 192 G HA3 0.502 4.483 3.960 0.035 0.000 0.302 192 G C -0.775 174.176 174.900 0.083 0.000 1.159 192 G CA 0.153 45.325 45.100 0.119 0.000 0.865 192 G HN 0.223 nan 8.290 nan 0.000 0.515 193 D N 1.730 122.172 120.400 0.070 0.000 2.380 193 D HA 0.256 4.917 4.640 0.035 0.000 0.230 193 D C -1.021 175.320 176.300 0.068 0.000 1.154 193 D CA -2.402 51.626 54.000 0.047 0.000 0.859 193 D CB 1.852 42.666 40.800 0.022 0.000 1.045 193 D HN 0.070 nan 8.370 nan 0.000 0.495 194 P HA -0.101 nan 4.420 nan 0.000 0.228 194 P C 1.193 178.601 177.300 0.180 0.000 1.151 194 P CA 0.681 63.843 63.100 0.103 0.000 0.770 194 P CB 0.195 31.930 31.700 0.059 0.000 0.786 195 M N -1.159 118.487 119.600 0.077 0.000 2.561 195 M HA 0.075 4.576 4.480 0.035 0.000 0.238 195 M C 0.783 176.846 176.300 -0.394 0.000 1.131 195 M CA 0.667 55.934 55.300 -0.055 0.000 1.046 195 M CB -0.007 32.525 32.600 -0.112 0.000 1.532 195 M HN -0.120 nan 8.290 nan 0.000 0.497 196 S N 1.145 116.811 115.700 -0.056 0.000 2.312 196 S HA 0.419 4.910 4.470 0.035 0.000 0.173 196 S C -0.994 173.739 174.600 0.222 0.000 1.488 196 S CA -0.483 57.708 58.200 -0.016 0.000 1.239 196 S CB 0.441 63.600 63.200 -0.068 0.000 1.215 196 S HN 0.009 nan 8.310 nan 0.000 0.438 197 V N 3.935 124.157 119.914 0.514 0.000 2.384 197 V HA 0.551 4.692 4.120 0.035 0.000 0.287 197 V C 0.060 176.310 176.094 0.260 0.000 1.020 197 V CA -0.413 62.060 62.300 0.288 0.000 0.850 197 V CB 1.834 33.783 31.823 0.210 0.000 0.987 197 V HN 0.735 nan 8.190 nan 0.000 0.436 198 T N 6.654 121.324 114.554 0.193 0.000 2.779 198 T HA 0.624 4.995 4.350 0.035 0.000 0.280 198 T C -0.300 174.529 174.700 0.215 0.000 0.987 198 T CA -0.341 61.874 62.100 0.192 0.000 0.966 198 T CB 0.950 69.886 68.868 0.113 0.000 0.933 198 T HN 0.338 nan 8.240 nan 0.000 0.442 199 L N 4.673 126.006 121.223 0.184 0.000 2.325 199 L HA 0.758 5.119 4.340 0.035 0.000 0.279 199 L C -0.533 176.538 176.870 0.335 0.000 1.054 199 L CA -0.954 53.969 54.840 0.139 0.000 0.804 199 L CB 0.620 42.547 42.059 -0.220 0.000 1.200 199 L HN 0.650 nan 8.230 nan 0.000 0.436 200 F N 0.429 120.438 119.950 0.097 0.000 2.619 200 F HA 0.953 5.501 4.527 0.035 0.000 0.308 200 F C -0.403 175.390 175.800 -0.011 0.000 1.097 200 F CA -1.230 56.879 58.000 0.181 0.000 0.953 200 F CB 1.535 40.789 39.000 0.425 0.000 1.287 200 F HN 0.501 nan 8.300 nan 0.000 0.446 201 G N 1.164 109.843 108.800 -0.202 0.000 2.576 201 G HA2 0.502 4.483 3.960 0.035 0.000 0.290 201 G HA3 0.502 4.483 3.960 0.035 0.000 0.290 201 G C -2.531 172.135 174.900 -0.389 0.000 1.442 201 G CA -0.787 43.739 45.100 -0.958 0.000 0.792 201 G HN 0.859 nan 8.290 nan 0.000 0.491 202 E N 0.134 120.065 120.200 -0.449 0.000 2.266 202 E HA 0.629 5.001 4.350 0.035 0.000 0.268 202 E C 0.632 177.158 176.600 -0.122 0.000 0.879 202 E CA 0.235 56.597 56.400 -0.064 0.000 0.762 202 E CB 2.186 31.992 29.700 0.177 0.000 1.199 202 E HN 0.807 nan 8.360 nan 0.000 0.422 203 S N 2.540 118.238 115.700 -0.004 0.000 4.114 203 S HA -0.398 4.093 4.470 0.035 0.000 0.618 203 S C 1.478 176.145 174.600 0.112 0.000 1.937 203 S CA 2.163 60.430 58.200 0.112 0.000 4.228 203 S CB -1.568 61.634 63.200 0.003 0.000 0.216 203 S HN 0.943 nan 8.310 nan 0.000 0.528 204 A N 0.961 123.711 122.820 -0.117 0.000 1.978 204 A HA 0.111 4.452 4.320 0.035 0.000 0.220 204 A C 2.439 179.745 177.584 -0.464 0.000 1.170 204 A CA 2.504 54.260 52.037 -0.468 0.000 0.636 204 A CB -1.526 16.784 19.000 -1.150 0.000 0.810 204 A HN 1.550 nan 8.150 nan 0.000 0.448 205 G N -0.750 107.833 108.800 -0.362 0.000 2.408 205 G HA2 0.057 4.039 3.960 0.035 0.000 0.217 205 G HA3 0.057 4.039 3.960 0.035 0.000 0.217 205 G C 1.678 176.397 174.900 -0.302 0.000 1.150 205 G CA 1.256 46.100 45.100 -0.427 0.000 0.776 205 G HN 0.756 nan 8.290 nan 0.000 0.542 206 A N 1.200 123.920 122.820 -0.168 0.000 1.872 206 A HA 0.369 4.710 4.320 0.035 0.000 0.214 206 A C 2.804 180.366 177.584 -0.036 0.000 1.187 206 A CA 2.006 54.007 52.037 -0.061 0.000 0.614 206 A CB -0.778 18.246 19.000 0.040 0.000 0.826 206 A HN 0.715 nan 8.150 nan 0.000 0.442 207 A N -0.470 122.353 122.820 0.006 0.000 1.933 207 A HA -0.071 4.270 4.320 0.035 0.000 0.218 207 A C 2.421 180.008 177.584 0.005 0.000 1.175 207 A CA 2.075 54.109 52.037 -0.005 0.000 0.628 207 A CB -0.790 18.223 19.000 0.023 0.000 0.814 207 A HN 0.440 nan 8.150 nan 0.000 0.444 208 S N -0.465 115.228 115.700 -0.011 0.000 2.356 208 S HA -0.130 4.361 4.470 0.035 0.000 0.223 208 S C 1.918 176.483 174.600 -0.058 0.000 1.032 208 S CA 1.377 59.543 58.200 -0.058 0.000 1.005 208 S CB -0.511 62.596 63.200 -0.156 0.000 0.867 208 S HN 0.354 nan 8.310 nan 0.000 0.449 209 V N 1.809 121.690 119.914 -0.055 0.000 2.282 209 V HA -0.214 3.927 4.120 0.035 0.000 0.249 209 V C 2.638 178.722 176.094 -0.017 0.000 1.057 209 V CA 2.058 64.332 62.300 -0.045 0.000 1.032 209 V CB -1.553 30.222 31.823 -0.080 0.000 0.645 209 V HN 0.604 nan 8.190 nan 0.000 0.447 210 G N -1.102 107.683 108.800 -0.026 0.000 2.442 210 G HA2 -0.307 3.674 3.960 0.035 0.000 0.219 210 G HA3 -0.307 3.674 3.960 0.035 0.000 0.219 210 G C 1.624 176.530 174.900 0.010 0.000 1.141 210 G CA 1.204 46.294 45.100 -0.018 0.000 0.763 210 G HN 0.456 nan 8.290 nan 0.000 0.554 211 M N -0.337 119.248 119.600 -0.025 0.000 2.254 211 M HA 0.037 4.538 4.480 0.035 0.000 0.265 211 M C 2.256 178.590 176.300 0.057 0.000 1.066 211 M CA 0.798 56.105 55.300 0.012 0.000 1.123 211 M CB -0.126 32.450 32.600 -0.039 0.000 1.388 211 M HN 0.207 nan 8.290 nan 0.000 0.425 212 H N -0.413 118.751 119.070 0.158 0.000 2.462 212 H HA 0.011 4.588 4.556 0.035 0.000 0.292 212 H C 2.069 177.592 175.328 0.325 0.000 1.049 212 H CA 1.344 57.497 56.048 0.175 0.000 1.334 212 H CB -0.177 29.533 29.762 -0.086 0.000 1.404 212 H HN 0.408 nan 8.280 nan 0.000 0.544 213 I N 0.622 121.431 120.570 0.397 0.000 2.315 213 I HA -0.209 3.982 4.170 0.035 0.000 0.248 213 I C 1.772 178.060 176.117 0.284 0.000 1.117 213 I CA 0.908 62.467 61.300 0.432 0.000 1.404 213 I CB 0.008 38.161 38.000 0.255 0.000 1.071 213 I HN 0.106 nan 8.210 nan 0.000 0.419 214 L N -0.889 120.451 121.223 0.195 0.000 2.592 214 L HA 0.108 4.469 4.340 0.035 0.000 0.227 214 L C 0.858 177.761 176.870 0.055 0.000 1.127 214 L CA 0.066 54.997 54.840 0.151 0.000 0.884 214 L CB -0.044 42.086 42.059 0.118 0.000 1.065 214 L HN 0.016 nan 8.230 nan 0.000 0.457 215 S N -0.155 115.543 115.700 -0.003 0.000 2.594 215 S HA 0.251 4.742 4.470 0.035 0.000 0.322 215 S C 0.718 175.239 174.600 -0.131 0.000 1.085 215 S CA -0.613 57.466 58.200 -0.201 0.000 1.116 215 S CB 1.240 64.031 63.200 -0.681 0.000 0.979 215 S HN 0.144 nan 8.310 nan 0.000 0.465 216 L N 7.214 128.374 121.223 -0.105 0.000 2.010 216 L HA -0.032 4.329 4.340 0.035 0.000 0.219 216 L C -1.015 175.815 176.870 -0.068 0.000 1.077 216 L CA 2.420 57.217 54.840 -0.072 0.000 0.773 216 L CB -1.045 40.972 42.059 -0.070 0.000 0.892 216 L HN 0.512 nan 8.230 nan 0.000 0.436 217 P HA -0.108 nan 4.420 nan 0.000 0.221 217 P C 1.610 178.910 177.300 -0.000 0.000 1.145 217 P CA 1.431 64.496 63.100 -0.058 0.000 0.795 217 P CB 0.016 31.667 31.700 -0.082 0.000 0.775 218 S N -1.121 114.603 115.700 0.041 0.000 2.425 218 S HA 0.010 4.501 4.470 0.035 0.000 0.225 218 S C 1.796 176.532 174.600 0.225 0.000 1.024 218 S CA 0.374 58.706 58.200 0.220 0.000 0.951 218 S CB -0.352 63.121 63.200 0.455 0.000 0.796 218 S HN 0.061 nan 8.310 nan 0.000 0.498 219 R N 2.070 122.597 120.500 0.045 0.000 2.211 219 R HA -0.039 4.322 4.340 0.035 0.000 0.240 219 R C 2.100 178.201 176.300 -0.330 0.000 1.144 219 R CA 1.367 57.311 56.100 -0.260 0.000 0.992 219 R CB -1.180 29.016 30.300 -0.173 0.000 0.869 219 R HN 0.573 nan 8.270 nan 0.000 0.462 220 S N -0.464 115.147 115.700 -0.149 0.000 2.593 220 S HA 0.127 4.619 4.470 0.035 0.000 0.217 220 S C 1.690 176.220 174.600 -0.117 0.000 0.966 220 S CA -0.022 58.100 58.200 -0.130 0.000 0.914 220 S CB -0.048 63.117 63.200 -0.059 0.000 0.776 220 S HN 0.202 nan 8.310 nan 0.000 0.523 221 L N 0.323 121.507 121.223 -0.064 0.000 2.616 221 L HA 0.471 4.832 4.340 0.035 0.000 0.229 221 L C 0.062 176.954 176.870 0.036 0.000 1.110 221 L CA -0.229 54.624 54.840 0.023 0.000 0.884 221 L CB -0.051 42.075 42.059 0.111 0.000 1.115 221 L HN 0.492 nan 8.230 nan 0.000 0.481 222 F N -4.180 115.570 119.950 -0.333 0.000 2.686 222 F HA 0.495 5.043 4.527 0.035 0.000 0.311 222 F C 0.496 175.941 175.800 -0.590 0.000 1.128 222 F CA -1.022 56.721 58.000 -0.428 0.000 0.946 222 F CB 0.793 39.699 39.000 -0.157 0.000 1.336 222 F HN -0.168 nan 8.300 nan 0.000 0.457 223 H N -0.412 118.711 119.070 0.089 0.000 2.800 223 H HA 0.447 5.025 4.556 0.035 0.000 0.257 223 H C -0.039 175.310 175.328 0.035 0.000 0.967 223 H CA 0.127 56.150 56.048 -0.041 0.000 1.192 223 H CB 0.757 30.500 29.762 -0.032 0.000 1.441 223 H HN 0.439 nan 8.280 nan 0.000 0.461 224 R N 0.045 120.712 120.500 0.279 0.000 2.836 224 R HA 0.744 5.105 4.340 0.035 0.000 0.269 224 R C -1.235 175.309 176.300 0.407 0.000 1.010 224 R CA -0.717 55.526 56.100 0.239 0.000 0.930 224 R CB 2.851 33.113 30.300 -0.063 0.000 1.218 224 R HN 0.151 nan 8.270 nan 0.000 0.473 225 A N 0.797 123.875 122.820 0.431 0.000 2.572 225 A HA 0.700 5.041 4.320 0.035 0.000 0.295 225 A C -1.528 176.209 177.584 0.253 0.000 1.072 225 A CA -0.612 51.619 52.037 0.322 0.000 0.691 225 A CB 1.966 21.118 19.000 0.254 0.000 1.291 225 A HN 0.307 nan 8.150 nan 0.000 0.404 226 V N 1.622 121.639 119.914 0.172 0.000 2.525 226 V HA 0.516 4.658 4.120 0.035 0.000 0.299 226 V C -1.273 174.905 176.094 0.140 0.000 1.034 226 V CA -0.276 62.064 62.300 0.067 0.000 0.863 226 V CB 1.309 33.192 31.823 0.100 0.000 0.999 226 V HN 0.683 nan 8.190 nan 0.000 0.423 227 L N 5.051 126.325 121.223 0.085 0.000 2.342 227 L HA 0.540 4.901 4.340 0.035 0.000 0.276 227 L C -0.038 176.925 176.870 0.154 0.000 0.997 227 L CA -0.029 54.864 54.840 0.088 0.000 0.838 227 L CB 1.629 43.696 42.059 0.014 0.000 1.224 227 L HN 0.623 nan 8.230 nan 0.000 0.416 228 Q N 1.942 121.886 119.800 0.241 0.000 2.340 228 Q HA 0.432 4.793 4.340 0.035 0.000 0.259 228 Q C 0.181 176.307 176.000 0.209 0.000 0.964 228 Q CA -0.542 55.458 55.803 0.329 0.000 0.900 228 Q CB 1.311 30.330 28.738 0.468 0.000 1.228 228 Q HN 0.624 nan 8.270 nan 0.000 0.449 229 S N 1.103 116.918 115.700 0.191 0.000 3.559 229 S HA -0.171 4.320 4.470 0.035 0.000 0.369 229 S C 0.045 174.819 174.600 0.290 0.000 0.987 229 S CA 0.547 58.880 58.200 0.220 0.000 1.187 229 S CB -1.195 62.142 63.200 0.228 0.000 0.914 229 S HN 0.983 nan 8.310 nan 0.000 0.480 230 G N -0.421 108.510 108.800 0.220 0.000 2.616 230 G HA2 0.648 4.629 3.960 0.035 0.000 0.294 230 G HA3 0.648 4.629 3.960 0.035 0.000 0.294 230 G C -0.906 174.061 174.900 0.111 0.000 1.489 230 G CA 0.156 45.438 45.100 0.303 0.000 0.836 230 G HN 0.947 nan 8.290 nan 0.000 0.527 231 T N -1.302 113.261 114.554 0.015 0.000 2.868 231 T HA 0.747 5.118 4.350 0.035 0.000 0.306 231 T C -2.341 172.218 174.700 -0.235 0.000 1.224 231 T CA -1.267 60.764 62.100 -0.115 0.000 1.012 231 T CB 3.014 71.797 68.868 -0.142 0.000 1.221 231 T HN 0.294 nan 8.240 nan 0.000 0.499 232 P HA -0.011 nan 4.420 nan 0.000 0.220 232 P C 0.260 177.402 177.300 -0.264 0.000 1.152 232 P CA 0.673 63.653 63.100 -0.200 0.000 0.812 232 P CB -0.044 31.590 31.700 -0.109 0.000 0.792 233 N N 0.605 119.164 118.700 -0.234 0.000 2.379 233 N HA 0.331 5.092 4.740 0.035 0.000 0.260 233 N C 0.658 175.958 175.510 -0.348 0.000 1.254 233 N CA 0.438 53.348 53.050 -0.233 0.000 0.958 233 N CB 0.556 38.949 38.487 -0.157 0.000 1.208 233 N HN 0.184 nan 8.380 nan 0.000 0.532 234 G N -0.864 107.744 108.800 -0.321 0.000 2.497 234 G HA2 -0.094 3.887 3.960 0.035 0.000 0.686 234 G HA3 -0.094 3.887 3.960 0.035 0.000 0.686 234 G C -2.205 172.443 174.900 -0.419 0.000 1.288 234 G CA -0.261 44.592 45.100 -0.411 0.000 0.899 234 G HN 0.530 nan 8.290 nan 0.000 0.608 235 P HA 0.068 nan 4.420 nan 0.000 0.233 235 P C 1.338 178.571 177.300 -0.111 0.000 1.167 235 P CA 2.059 65.013 63.100 -0.243 0.000 0.770 235 P CB -0.041 31.481 31.700 -0.297 0.000 0.837 236 W N -1.814 119.400 121.300 -0.144 0.000 2.835 236 W HA 0.542 5.223 4.660 0.035 0.000 0.278 236 W C 1.242 177.838 176.519 0.128 0.000 1.075 236 W CA 0.435 57.777 57.345 -0.005 0.000 1.439 236 W CB -0.802 28.700 29.460 0.070 0.000 0.927 236 W HN -0.163 nan 8.180 nan 0.000 0.604 237 A N 2.056 124.503 122.820 -0.622 0.000 2.066 237 A HA 0.070 4.411 4.320 0.035 0.000 0.218 237 A C 1.205 178.633 177.584 -0.259 0.000 1.157 237 A CA 2.009 53.785 52.037 -0.436 0.000 0.670 237 A CB -0.878 17.610 19.000 -0.854 0.000 0.804 237 A HN 0.291 nan 8.150 nan 0.000 0.453 238 T N -3.634 110.782 114.554 -0.230 0.000 2.865 238 T HA 0.623 4.995 4.350 0.035 0.000 0.294 238 T C -0.677 173.947 174.700 -0.127 0.000 1.119 238 T CA -0.117 61.864 62.100 -0.198 0.000 1.007 238 T CB 1.483 70.243 68.868 -0.179 0.000 1.225 238 T HN 1.012 nan 8.240 nan 0.000 0.515 239 V N -1.404 118.445 119.914 -0.108 0.000 3.114 239 V HA 0.903 5.044 4.120 0.035 0.000 0.308 239 V C 0.127 176.185 176.094 -0.061 0.000 1.168 239 V CA -0.817 61.438 62.300 -0.076 0.000 1.015 239 V CB 1.360 33.140 31.823 -0.073 0.000 1.050 239 V HN 1.410 nan 8.190 nan 0.000 0.433 240 S N 1.704 117.375 115.700 -0.047 0.000 2.614 240 S HA 0.629 5.120 4.470 0.035 0.000 0.265 240 S C 1.414 175.998 174.600 -0.026 0.000 1.303 240 S CA 0.077 58.257 58.200 -0.035 0.000 1.000 240 S CB 1.276 64.457 63.200 -0.030 0.000 0.935 240 S HN 2.023 nan 8.310 nan 0.000 0.551 241 A N 1.999 124.809 122.820 -0.017 0.000 1.908 241 A HA 0.089 4.430 4.320 0.035 0.000 0.218 241 A C 2.210 179.788 177.584 -0.011 0.000 1.181 241 A CA 1.828 53.860 52.037 -0.009 0.000 0.627 241 A CB -1.865 17.132 19.000 -0.005 0.000 0.818 241 A HN 1.152 nan 8.150 nan 0.000 0.445 242 G N -0.452 108.339 108.800 -0.015 0.000 2.446 242 G HA2 -0.274 3.708 3.960 0.035 0.000 0.217 242 G HA3 -0.274 3.708 3.960 0.035 0.000 0.217 242 G C 1.475 176.364 174.900 -0.019 0.000 1.168 242 G CA 1.398 46.489 45.100 -0.015 0.000 0.771 242 G HN 0.579 nan 8.290 nan 0.000 0.551 243 E N 0.893 121.078 120.200 -0.025 0.000 2.150 243 E HA 0.102 4.473 4.350 0.035 0.000 0.193 243 E C 2.612 179.189 176.600 -0.039 0.000 0.985 243 E CA 1.326 57.705 56.400 -0.035 0.000 0.814 243 E CB -0.483 29.191 29.700 -0.044 0.000 0.752 243 E HN 0.295 nan 8.360 nan 0.000 0.466 244 A N 0.879 123.684 122.820 -0.026 0.000 1.873 244 A HA -0.167 4.174 4.320 0.035 0.000 0.215 244 A C 2.300 179.894 177.584 0.017 0.000 1.186 244 A CA 1.699 53.734 52.037 -0.002 0.000 0.616 244 A CB -0.631 18.380 19.000 0.019 0.000 0.823 244 A HN 0.271 nan 8.150 nan 0.000 0.442 245 R N -0.563 119.939 120.500 0.003 0.000 2.091 245 R HA -0.173 4.188 4.340 0.035 0.000 0.238 245 R C 2.481 178.782 176.300 0.001 0.000 1.136 245 R CA 1.741 57.841 56.100 -0.000 0.000 0.959 245 R CB -0.318 29.977 30.300 -0.008 0.000 0.856 245 R HN 0.543 nan 8.270 nan 0.000 0.437 246 R N 0.445 120.941 120.500 -0.006 0.000 2.082 246 R HA -0.160 4.201 4.340 0.035 0.000 0.234 246 R C 2.298 178.599 176.300 0.001 0.000 1.136 246 R CA 2.067 58.162 56.100 -0.008 0.000 0.935 246 R CB -0.162 30.127 30.300 -0.017 0.000 0.842 246 R HN 0.289 nan 8.270 nan 0.000 0.430 247 R N -0.223 120.270 120.500 -0.012 0.000 2.096 247 R HA -0.098 4.263 4.340 0.035 0.000 0.235 247 R C 2.327 178.702 176.300 0.125 0.000 1.127 247 R CA 1.310 57.403 56.100 -0.012 0.000 0.968 247 R CB -0.355 29.832 30.300 -0.188 0.000 0.861 247 R HN 0.276 nan 8.270 nan 0.000 0.440 248 A N 1.131 124.038 122.820 0.145 0.000 1.873 248 A HA -0.180 4.161 4.320 0.035 0.000 0.215 248 A C 2.379 179.980 177.584 0.028 0.000 1.186 248 A CA 2.042 54.153 52.037 0.124 0.000 0.616 248 A CB -1.015 18.003 19.000 0.029 0.000 0.823 248 A HN 0.498 nan 8.150 nan 0.000 0.442 249 T N -1.819 112.741 114.554 0.010 0.000 2.821 249 T HA -0.132 4.239 4.350 0.035 0.000 0.267 249 T C 1.769 176.471 174.700 0.004 0.000 1.046 249 T CA 1.505 63.601 62.100 -0.008 0.000 1.139 249 T CB -0.494 68.368 68.868 -0.010 0.000 0.871 249 T HN 0.240 nan 8.240 nan 0.000 0.454 250 L N 0.680 121.916 121.223 0.021 0.000 2.083 250 L HA 0.239 4.600 4.340 0.035 0.000 0.209 250 L C 2.279 179.167 176.870 0.030 0.000 1.083 250 L CA 1.434 56.288 54.840 0.022 0.000 0.752 250 L CB -1.098 40.978 42.059 0.029 0.000 0.899 250 L HN 0.363 nan 8.230 nan 0.000 0.433 251 L N -0.318 120.949 121.223 0.072 0.000 2.093 251 L HA 0.004 4.365 4.340 0.035 0.000 0.208 251 L C 2.482 179.357 176.870 0.009 0.000 1.085 251 L CA 1.811 56.699 54.840 0.080 0.000 0.755 251 L CB -0.849 41.308 42.059 0.163 0.000 0.904 251 L HN 0.254 nan 8.230 nan 0.000 0.435 252 A N -0.069 122.745 122.820 -0.010 0.000 1.865 252 A HA -0.294 4.047 4.320 0.035 0.000 0.217 252 A C 2.527 180.097 177.584 -0.023 0.000 1.191 252 A CA 2.072 54.093 52.037 -0.026 0.000 0.623 252 A CB -0.760 18.218 19.000 -0.038 0.000 0.826 252 A HN 0.515 nan 8.150 nan 0.000 0.444 253 R N -0.414 120.071 120.500 -0.025 0.000 2.080 253 R HA -0.114 4.247 4.340 0.035 0.000 0.236 253 R C 2.027 178.288 176.300 -0.064 0.000 1.137 253 R CA 1.783 57.864 56.100 -0.031 0.000 0.943 253 R CB -0.507 29.778 30.300 -0.024 0.000 0.846 253 R HN 0.540 nan 8.270 nan 0.000 0.431 254 L N 0.751 121.908 121.223 -0.111 0.000 2.263 254 L HA -0.132 4.229 4.340 0.035 0.000 0.216 254 L C 1.828 178.523 176.870 -0.292 0.000 1.111 254 L CA 0.925 55.595 54.840 -0.284 0.000 0.773 254 L CB -0.179 41.606 42.059 -0.456 0.000 0.906 254 L HN 0.266 nan 8.230 nan 0.000 0.439 255 V N -4.267 115.593 119.914 -0.089 0.000 3.376 255 V HA 0.537 4.678 4.120 0.035 0.000 0.313 255 V C 1.106 177.221 176.094 0.034 0.000 1.393 255 V CA 0.196 62.519 62.300 0.037 0.000 1.125 255 V CB -0.093 31.795 31.823 0.107 0.000 1.037 255 V HN 0.404 nan 8.190 nan 0.000 0.440 256 G N -0.340 108.463 108.800 0.005 0.000 2.132 256 G HA2 -0.212 3.769 3.960 0.035 0.000 0.228 256 G HA3 -0.212 3.769 3.960 0.035 0.000 0.228 256 G C -0.034 174.872 174.900 0.011 0.000 1.000 256 G CA -0.057 45.051 45.100 0.013 0.000 0.693 256 G HN 0.727 nan 8.290 nan 0.000 0.515 257 c N 1.658 120.260 118.600 0.003 0.000 2.455 257 c HA 0.797 5.388 4.570 0.035 0.000 0.320 257 c C -1.158 172.928 174.090 -0.007 0.000 1.226 257 c CA -1.280 55.050 56.329 0.002 0.000 1.569 257 c CB 2.113 44.624 42.510 0.002 0.000 2.200 257 c HN 0.443 nan 8.230 nan 0.000 0.491 266 D N 1.511 121.903 120.400 -0.013 0.000 2.097 266 D HA -0.093 4.568 4.640 0.035 0.000 0.195 266 D C 1.328 177.618 176.300 -0.017 0.000 0.989 266 D CA 1.838 55.825 54.000 -0.021 0.000 0.827 266 D CB -0.058 40.729 40.800 -0.022 0.000 0.966 266 D HN 0.629 nan 8.370 nan 0.000 0.456 267 T N 1.427 115.977 114.554 -0.006 0.000 2.685 267 T HA -0.197 4.174 4.350 0.035 0.000 0.268 267 T C 1.825 176.528 174.700 0.005 0.000 1.034 267 T CA 1.502 63.604 62.100 0.003 0.000 1.149 267 T CB -0.258 68.615 68.868 0.008 0.000 0.860 267 T HN 0.328 nan 8.240 nan 0.000 0.449 268 E N 0.436 120.637 120.200 0.002 0.000 2.047 268 E HA -0.035 4.336 4.350 0.035 0.000 0.191 268 E C 2.239 178.840 176.600 0.001 0.000 0.987 268 E CA 0.764 57.167 56.400 0.004 0.000 0.799 268 E CB -0.286 29.416 29.700 0.002 0.000 0.752 268 E HN 0.343 nan 8.360 nan 0.000 0.449 269 L N 1.061 122.277 121.223 -0.011 0.000 1.989 269 L HA -0.219 4.142 4.340 0.035 0.000 0.211 269 L C 2.270 179.123 176.870 -0.029 0.000 1.071 269 L CA 1.450 56.276 54.840 -0.024 0.000 0.749 269 L CB -0.141 41.894 42.059 -0.039 0.000 0.890 269 L HN 0.130 nan 8.230 nan 0.000 0.431 270 I N -0.320 120.227 120.570 -0.037 0.000 2.226 270 I HA -0.291 3.900 4.170 0.035 0.000 0.245 270 I C 2.734 178.891 176.117 0.067 0.000 1.100 270 I CA 1.068 62.352 61.300 -0.027 0.000 1.374 270 I CB -0.677 37.306 38.000 -0.028 0.000 1.057 270 I HN 0.361 nan 8.210 nan 0.000 0.413 271 A N -0.108 122.742 122.820 0.050 0.000 1.908 271 A HA -0.318 4.023 4.320 0.035 0.000 0.218 271 A C 2.542 180.162 177.584 0.060 0.000 1.181 271 A CA 2.140 54.212 52.037 0.058 0.000 0.627 271 A CB -1.382 17.640 19.000 0.036 0.000 0.818 271 A HN 0.638 nan 8.150 nan 0.000 0.445 272 c N -0.792 117.834 118.600 0.044 0.000 2.440 272 c HA 0.081 4.672 4.570 0.035 0.000 0.278 272 c C 2.578 176.706 174.090 0.063 0.000 1.295 272 c CA 0.923 57.277 56.329 0.041 0.000 1.738 272 c CB -1.569 40.955 42.510 0.024 0.000 1.987 272 c HN 0.584 nan 8.230 nan 0.000 0.492 273 L N 0.320 121.591 121.223 0.080 0.000 2.083 273 L HA -0.091 4.271 4.340 0.035 0.000 0.209 273 L C 2.959 179.963 176.870 0.223 0.000 1.083 273 L CA 1.425 56.347 54.840 0.136 0.000 0.752 273 L CB -0.597 41.514 42.059 0.086 0.000 0.899 273 L HN 0.332 nan 8.230 nan 0.000 0.433 274 R N -0.621 120.013 120.500 0.224 0.000 2.189 274 R HA -0.111 4.250 4.340 0.035 0.000 0.223 274 R C 2.115 178.445 176.300 0.050 0.000 1.092 274 R CA 1.634 57.808 56.100 0.124 0.000 0.989 274 R CB -0.350 30.011 30.300 0.101 0.000 0.876 274 R HN 0.478 nan 8.270 nan 0.000 0.457 275 T N -1.545 113.042 114.554 0.054 0.000 3.113 275 T HA 0.103 4.474 4.350 0.035 0.000 0.256 275 T C 0.830 175.547 174.700 0.028 0.000 1.131 275 T CA -0.089 62.029 62.100 0.031 0.000 1.074 275 T CB 0.168 69.054 68.868 0.030 0.000 0.944 275 T HN -0.124 nan 8.240 nan 0.000 0.516 276 R N 2.433 122.959 120.500 0.042 0.000 2.410 276 R HA 0.428 4.789 4.340 0.035 0.000 0.288 276 R C -2.726 173.587 176.300 0.020 0.000 1.051 276 R CA -2.463 53.660 56.100 0.040 0.000 1.021 276 R CB 0.158 30.494 30.300 0.060 0.000 1.032 276 R HN 0.234 nan 8.270 nan 0.000 0.481 277 P HA -0.001 nan 4.420 nan 0.000 0.267 277 P C 0.303 177.576 177.300 -0.046 0.000 1.200 277 P CA 0.207 63.287 63.100 -0.033 0.000 0.772 277 P CB 0.630 32.318 31.700 -0.020 0.000 0.855 278 A N 2.688 125.405 122.820 -0.171 0.000 1.892 278 A HA -0.286 4.055 4.320 0.035 0.000 0.218 278 A C 2.125 179.645 177.584 -0.107 0.000 1.188 278 A CA 2.010 53.912 52.037 -0.224 0.000 0.631 278 A CB -1.386 16.963 19.000 -1.085 0.000 0.822 278 A HN 0.549 nan 8.150 nan 0.000 0.447 279 Q N -0.071 119.639 119.800 -0.150 0.000 2.291 279 Q HA -0.160 4.201 4.340 0.035 0.000 0.206 279 Q C 1.169 177.248 176.000 0.132 0.000 0.976 279 Q CA 1.879 57.776 55.803 0.157 0.000 0.875 279 Q CB -0.406 28.446 28.738 0.189 0.000 0.927 279 Q HN 0.651 nan 8.270 nan 0.000 0.450 280 D N -0.948 119.498 120.400 0.077 0.000 2.117 280 D HA -0.122 4.540 4.640 0.035 0.000 0.198 280 D C 1.444 177.804 176.300 0.100 0.000 0.982 280 D CA 0.749 54.798 54.000 0.081 0.000 0.828 280 D CB -0.035 40.816 40.800 0.084 0.000 0.967 280 D HN 0.218 nan 8.370 nan 0.000 0.464 281 L N 0.273 121.548 121.223 0.087 0.000 2.017 281 L HA -0.109 4.253 4.340 0.035 0.000 0.208 281 L C 2.483 179.393 176.870 0.066 0.000 1.073 281 L CA 0.961 55.819 54.840 0.029 0.000 0.745 281 L CB -0.873 41.099 42.059 -0.145 0.000 0.894 281 L HN -0.039 nan 8.230 nan 0.000 0.432 282 V N -0.395 119.628 119.914 0.181 0.000 2.407 282 V HA -0.294 3.848 4.120 0.035 0.000 0.248 282 V C 2.195 178.406 176.094 0.196 0.000 1.055 282 V CA 1.653 64.113 62.300 0.266 0.000 1.049 282 V CB -0.590 31.516 31.823 0.472 0.000 0.662 282 V HN 0.401 nan 8.190 nan 0.000 0.455 283 D N -0.853 119.613 120.400 0.111 0.000 2.158 283 D HA -0.172 4.489 4.640 0.035 0.000 0.197 283 D C 1.889 178.038 176.300 -0.250 0.000 0.995 283 D CA 1.416 55.389 54.000 -0.046 0.000 0.846 283 D CB -0.182 40.511 40.800 -0.179 0.000 0.941 283 D HN 0.521 nan 8.370 nan 0.000 0.456 284 H N -0.616 118.454 119.070 0.000 0.000 2.652 284 H HA 0.146 4.723 4.556 0.035 0.000 0.274 284 H C 1.598 176.863 175.328 -0.106 0.000 1.021 284 H CA -0.035 55.943 56.048 -0.117 0.000 1.187 284 H CB 0.545 30.342 29.762 0.060 0.000 1.505 284 H HN 0.309 nan 8.280 nan 0.000 0.530 285 E N 0.671 120.897 120.200 0.043 0.000 2.086 285 E HA -0.224 4.148 4.350 0.035 0.000 0.200 285 E C 0.977 177.506 176.600 -0.119 0.000 1.012 285 E CA 1.488 57.904 56.400 0.026 0.000 0.812 285 E CB -0.013 29.614 29.700 -0.120 0.000 0.743 285 E HN 0.433 nan 8.360 nan 0.000 0.453 286 W N -0.504 120.728 121.300 -0.113 0.000 2.825 286 W HA -0.012 4.669 4.660 0.036 0.000 0.243 286 W C 1.413 177.962 176.519 0.050 0.000 1.293 286 W CA 0.549 57.833 57.345 -0.102 0.000 1.403 286 W CB 0.024 29.379 29.460 -0.174 0.000 1.134 286 W HN 0.270 nan 8.180 nan 0.000 0.666 287 H N -0.649 118.575 119.070 0.256 0.000 2.533 287 H HA 0.034 4.611 4.556 0.035 0.000 0.271 287 H C 1.736 177.128 175.328 0.106 0.000 1.000 287 H CA 0.490 56.649 56.048 0.185 0.000 1.149 287 H CB 0.168 30.057 29.762 0.212 0.000 1.375 287 H HN 0.131 nan 8.280 nan 0.000 0.582 288 V N -1.990 118.018 119.914 0.157 0.000 3.578 288 V HA 0.177 4.318 4.120 0.035 0.000 0.290 288 V C 0.572 176.660 176.094 -0.009 0.000 1.376 288 V CA -0.203 62.127 62.300 0.049 0.000 1.083 288 V CB -0.259 31.554 31.823 -0.017 0.000 0.911 288 V HN 0.144 nan 8.190 nan 0.000 0.433 289 L N 2.933 124.172 121.223 0.026 0.000 2.499 289 L HA 0.193 4.554 4.340 0.035 0.000 0.273 289 L C -0.121 176.761 176.870 0.021 0.000 1.195 289 L CA -0.882 53.965 54.840 0.013 0.000 0.882 289 L CB 0.792 42.898 42.059 0.078 0.000 1.133 289 L HN 0.165 nan 8.230 nan 0.000 0.483 290 P HA -0.141 nan 4.420 nan 0.000 0.218 290 P C -0.154 177.153 177.300 0.012 0.000 1.148 290 P CA 1.325 64.426 63.100 0.002 0.000 0.822 290 P CB 0.425 32.119 31.700 -0.010 0.000 0.784 291 Q N -1.753 118.057 119.800 0.018 0.000 2.615 291 Q HA 0.349 4.711 4.340 0.035 0.000 0.298 291 Q C -0.694 175.323 176.000 0.029 0.000 1.023 291 Q CA -0.784 55.030 55.803 0.020 0.000 0.768 291 Q CB 1.107 29.852 28.738 0.013 0.000 1.500 291 Q HN -0.061 nan 8.270 nan 0.000 0.441 292 E N 0.888 121.103 120.200 0.026 0.000 2.376 292 E HA 0.366 4.737 4.350 0.035 0.000 0.266 292 E C -0.945 175.670 176.600 0.025 0.000 1.009 292 E CA 0.202 56.619 56.400 0.029 0.000 0.902 292 E CB 0.379 30.093 29.700 0.023 0.000 0.972 292 E HN 0.607 nan 8.360 nan 0.000 0.439 293 S N 3.454 119.170 115.700 0.027 0.000 2.655 293 S HA 0.582 5.073 4.470 0.035 0.000 0.266 293 S C -0.631 173.981 174.600 0.020 0.000 1.149 293 S CA -0.984 57.229 58.200 0.020 0.000 0.818 293 S CB 0.472 63.679 63.200 0.013 0.000 1.130 293 S HN 0.560 nan 8.310 nan 0.000 0.476 294 I N -3.412 117.169 120.570 0.019 0.000 3.042 294 I HA 0.812 5.003 4.170 0.035 0.000 0.310 294 I C -0.248 175.861 176.117 -0.013 0.000 1.117 294 I CA -1.214 60.108 61.300 0.037 0.000 1.003 294 I CB 1.316 39.382 38.000 0.111 0.000 1.228 294 I HN 0.796 nan 8.210 nan 0.000 0.443 295 F N 1.442 121.235 119.950 -0.262 0.000 3.090 295 F HA -0.186 4.362 4.527 0.035 0.000 0.282 295 F C -0.284 174.981 175.800 -0.892 0.000 0.923 295 F CA 0.698 58.288 58.000 -0.683 0.000 0.977 295 F CB -0.615 37.895 39.000 -0.816 0.000 0.954 295 F HN 0.570 nan 8.300 nan 0.000 0.695 296 R N 0.356 120.398 120.500 -0.763 0.000 2.628 296 R HA 0.631 4.992 4.340 0.035 0.000 0.288 296 R C -1.109 174.756 176.300 -0.725 0.000 0.980 296 R CA -0.585 55.164 56.100 -0.585 0.000 0.891 296 R CB 1.375 31.577 30.300 -0.163 0.000 1.188 296 R HN -0.017 nan 8.270 nan 0.000 0.450 297 F N -0.542 119.512 119.950 0.173 0.000 2.556 297 F HA 0.336 4.884 4.527 0.035 0.000 0.314 297 F C 1.495 177.214 175.800 -0.134 0.000 1.106 297 F CA -0.802 57.220 58.000 0.037 0.000 0.911 297 F CB 1.942 41.075 39.000 0.223 0.000 1.190 297 F HN 0.367 nan 8.300 nan 0.000 0.448 298 S N 1.026 116.594 115.700 -0.220 0.000 2.348 298 S HA -0.079 4.413 4.470 0.035 0.000 0.221 298 S C 0.090 174.230 174.600 -0.767 0.000 1.033 298 S CA 1.312 59.193 58.200 -0.531 0.000 1.010 298 S CB -0.240 62.539 63.200 -0.700 0.000 0.891 298 S HN 0.350 nan 8.310 nan 0.000 0.442 299 F N 1.485 121.452 119.950 0.029 0.000 2.382 299 F HA 0.557 5.105 4.527 0.036 0.000 0.361 299 F C 0.057 175.886 175.800 0.047 0.000 1.109 299 F CA -0.998 57.053 58.000 0.085 0.000 1.031 299 F CB 1.275 40.357 39.000 0.136 0.000 1.234 299 F HN -0.078 nan 8.300 nan 0.000 0.445 300 V N 0.935 120.819 119.914 -0.050 0.000 3.156 300 V HA 0.771 4.913 4.120 0.035 0.000 0.311 300 V C -2.913 172.822 176.094 -0.598 0.000 1.208 300 V CA -3.305 58.646 62.300 -0.581 0.000 1.063 300 V CB 1.988 33.636 31.823 -0.293 0.000 1.098 300 V HN 0.262 nan 8.190 nan 0.000 0.452 301 P HA 0.215 nan 4.420 nan 0.000 0.266 301 P C -0.872 176.295 177.300 -0.221 0.000 1.193 301 P CA 0.365 63.187 63.100 -0.463 0.000 0.770 301 P CB 0.655 31.997 31.700 -0.597 0.000 0.836 302 V N 4.092 123.953 119.914 -0.089 0.000 2.628 302 V HA 0.260 4.401 4.120 0.035 0.000 0.306 302 V C -0.473 175.604 176.094 -0.028 0.000 1.045 302 V CA -0.912 61.360 62.300 -0.047 0.000 0.905 302 V CB 2.196 34.020 31.823 0.001 0.000 0.997 302 V HN 0.122 nan 8.190 nan 0.000 0.436 303 V N 7.274 127.171 119.914 -0.028 0.000 2.341 303 V HA 0.169 4.310 4.120 0.035 0.000 0.248 303 V C 0.890 176.989 176.094 0.009 0.000 1.107 303 V CA 0.345 62.641 62.300 -0.008 0.000 1.069 303 V CB 0.109 31.920 31.823 -0.020 0.000 1.177 303 V HN 1.056 nan 8.190 nan 0.000 0.492 304 D N 2.722 123.141 120.400 0.032 0.000 2.348 304 D HA 0.089 4.750 4.640 0.035 0.000 0.211 304 D C 1.563 177.885 176.300 0.037 0.000 0.998 304 D CA 0.740 54.763 54.000 0.038 0.000 0.873 304 D CB 0.286 41.121 40.800 0.059 0.000 0.925 304 D HN 0.678 nan 8.370 nan 0.000 0.524 305 G N 0.606 109.428 108.800 0.036 0.000 2.148 305 G HA2 -0.318 3.663 3.960 0.035 0.000 0.254 305 G HA3 -0.318 3.663 3.960 0.035 0.000 0.254 305 G C 0.405 175.325 174.900 0.033 0.000 0.981 305 G CA 0.729 45.844 45.100 0.026 0.000 0.670 305 G HN 0.546 nan 8.290 nan 0.000 0.528 306 D N -1.549 118.886 120.400 0.060 0.000 3.054 306 D HA 0.213 4.874 4.640 0.035 0.000 0.209 306 D C 1.732 178.080 176.300 0.080 0.000 1.527 306 D CA 0.428 54.467 54.000 0.065 0.000 1.427 306 D CB -0.587 40.263 40.800 0.083 0.000 1.059 306 D HN 0.102 nan 8.370 nan 0.000 0.243 307 F N 1.287 121.240 119.950 0.006 0.000 2.102 307 F HA 0.182 4.730 4.527 0.035 0.000 0.298 307 F C 0.642 176.438 175.800 -0.007 0.000 1.105 307 F CA 1.169 59.172 58.000 0.004 0.000 1.239 307 F CB 0.170 39.169 39.000 -0.001 0.000 0.991 307 F HN -0.028 nan 8.300 nan 0.000 0.474 308 L N 1.015 122.382 121.223 0.241 0.000 2.283 308 L HA 0.185 4.546 4.340 0.035 0.000 0.281 308 L C 1.465 178.369 176.870 0.057 0.000 1.033 308 L CA -0.200 54.718 54.840 0.130 0.000 0.848 308 L CB 1.199 43.330 42.059 0.120 0.000 1.226 308 L HN 0.109 nan 8.230 nan 0.000 0.429 309 S N 0.608 116.321 115.700 0.021 0.000 2.419 309 S HA -0.087 4.404 4.470 0.035 0.000 0.235 309 S C 0.546 175.150 174.600 0.007 0.000 1.019 309 S CA 0.837 59.041 58.200 0.007 0.000 0.982 309 S CB 0.138 63.332 63.200 -0.010 0.000 0.789 309 S HN 0.721 nan 8.310 nan 0.000 0.490 310 D N -0.205 120.201 120.400 0.009 0.000 2.825 310 D HA 0.298 4.959 4.640 0.035 0.000 0.327 310 D C -0.864 175.435 176.300 -0.000 0.000 1.277 310 D CA 0.107 54.108 54.000 0.002 0.000 0.950 310 D CB 1.365 42.163 40.800 -0.002 0.000 1.438 310 D HN 0.259 nan 8.370 nan 0.000 0.526 311 T N -1.047 113.501 114.554 -0.011 0.000 2.900 311 T HA 0.280 4.651 4.350 0.035 0.000 0.307 311 T C -1.850 172.837 174.700 -0.020 0.000 1.065 311 T CA -0.787 61.298 62.100 -0.025 0.000 1.105 311 T CB 1.141 69.988 68.868 -0.034 0.000 0.979 311 T HN 0.090 nan 8.240 nan 0.000 0.544 312 P HA -0.085 nan 4.420 nan 0.000 0.218 312 P C 1.475 178.762 177.300 -0.021 0.000 1.148 312 P CA 0.874 63.955 63.100 -0.032 0.000 0.822 312 P CB 0.117 31.768 31.700 -0.080 0.000 0.784 313 E N 0.078 120.256 120.200 -0.037 0.000 2.023 313 E HA -0.189 4.182 4.350 0.035 0.000 0.196 313 E C 2.022 178.623 176.600 0.001 0.000 1.003 313 E CA 1.747 58.132 56.400 -0.026 0.000 0.809 313 E CB -1.136 28.542 29.700 -0.037 0.000 0.755 313 E HN 0.050 nan 8.360 nan 0.000 0.449 314 A N 0.471 123.290 122.820 -0.001 0.000 1.883 314 A HA -0.161 4.180 4.320 0.035 0.000 0.217 314 A C 2.356 179.955 177.584 0.026 0.000 1.186 314 A CA 1.641 53.682 52.037 0.007 0.000 0.624 314 A CB -0.855 18.144 19.000 -0.002 0.000 0.822 314 A HN 0.345 nan 8.150 nan 0.000 0.444 315 L N -0.188 121.057 121.223 0.037 0.000 2.083 315 L HA -0.164 4.197 4.340 0.035 0.000 0.209 315 L C 2.535 179.500 176.870 0.158 0.000 1.083 315 L CA 1.660 56.542 54.840 0.070 0.000 0.752 315 L CB -0.673 41.431 42.059 0.075 0.000 0.899 315 L HN 0.690 nan 8.230 nan 0.000 0.433 316 I N -3.624 117.042 120.570 0.159 0.000 3.059 316 I HA -0.049 4.142 4.170 0.035 0.000 0.270 316 I C 1.858 178.104 176.117 0.215 0.000 1.238 316 I CA 0.900 62.350 61.300 0.251 0.000 1.478 316 I CB -0.339 37.713 38.000 0.086 0.000 1.097 316 I HN 0.152 nan 8.210 nan 0.000 0.455 317 N N 1.481 120.247 118.700 0.111 0.000 2.376 317 N HA -0.063 4.698 4.740 0.035 0.000 0.177 317 N C 1.732 177.275 175.510 0.055 0.000 1.024 317 N CA 1.905 55.001 53.050 0.076 0.000 0.893 317 N CB -0.058 38.453 38.487 0.039 0.000 0.980 317 N HN 0.630 nan 8.380 nan 0.000 0.439 318 T N -3.114 111.458 114.554 0.030 0.000 3.084 318 T HA 0.346 4.717 4.350 0.035 0.000 0.270 318 T C 0.778 175.412 174.700 -0.110 0.000 1.008 318 T CA -0.602 61.482 62.100 -0.026 0.000 0.900 318 T CB 0.165 69.016 68.868 -0.029 0.000 1.084 318 T HN 0.008 nan 8.240 nan 0.000 0.538 319 G N 0.753 109.453 108.800 -0.167 0.000 2.476 319 G HA2 0.462 4.443 3.960 0.035 0.000 0.269 319 G HA3 0.462 4.443 3.960 0.035 0.000 0.269 319 G C -1.225 173.164 174.900 -0.852 0.000 1.195 319 G CA -0.533 44.210 45.100 -0.595 0.000 0.843 319 G HN 0.337 nan 8.290 nan 0.000 0.545 320 D N 0.090 119.990 120.400 -0.835 0.000 2.392 320 D HA 0.391 5.052 4.640 0.035 0.000 0.228 320 D C -0.541 175.379 176.300 -0.634 0.000 1.074 320 D CA -0.683 52.998 54.000 -0.532 0.000 0.838 320 D CB 0.568 41.207 40.800 -0.268 0.000 1.067 320 D HN 0.095 nan 8.370 nan 0.000 0.511 321 F N 2.544 122.496 119.950 0.002 0.000 2.908 321 F HA 0.221 4.769 4.527 0.036 0.000 0.328 321 F C 1.919 177.722 175.800 0.006 0.000 1.211 321 F CA -0.579 57.425 58.000 0.006 0.000 1.291 321 F CB 0.369 39.380 39.000 0.020 0.000 0.962 321 F HN 0.309 nan 8.300 nan 0.000 0.505 322 Q N 0.670 120.521 119.800 0.086 0.000 2.029 322 Q HA -0.198 4.164 4.340 0.035 0.000 0.209 322 Q C 0.549 176.585 176.000 0.061 0.000 0.999 322 Q CA 1.641 57.479 55.803 0.057 0.000 0.857 322 Q CB -0.161 28.583 28.738 0.011 0.000 0.926 322 Q HN 0.386 nan 8.270 nan 0.000 0.415 323 D N 0.259 120.688 120.400 0.048 0.000 3.179 323 D HA 0.202 4.863 4.640 0.035 0.000 0.267 323 D C -0.638 175.692 176.300 0.050 0.000 1.348 323 D CA -0.056 53.966 54.000 0.037 0.000 0.897 323 D CB -0.121 40.686 40.800 0.011 0.000 1.062 323 D HN -0.012 nan 8.370 nan 0.000 0.494 324 L N 1.071 122.345 121.223 0.085 0.000 2.408 324 L HA 0.348 4.709 4.340 0.035 0.000 0.268 324 L C -1.239 175.699 176.870 0.113 0.000 0.986 324 L CA -0.522 54.378 54.840 0.100 0.000 0.820 324 L CB 2.242 44.388 42.059 0.144 0.000 1.303 324 L HN -0.210 nan 8.230 nan 0.000 0.411 325 Q N 3.156 123.038 119.800 0.136 0.000 2.316 325 Q HA 0.794 5.155 4.340 0.035 0.000 0.264 325 Q C -1.394 174.844 176.000 0.396 0.000 0.987 325 Q CA -0.440 55.496 55.803 0.223 0.000 0.852 325 Q CB 2.587 31.406 28.738 0.135 0.000 1.287 325 Q HN 0.484 nan 8.270 nan 0.000 0.448 326 V N 2.539 122.666 119.914 0.355 0.000 2.789 326 V HA 0.527 4.669 4.120 0.035 0.000 0.311 326 V C -1.441 174.622 176.094 -0.051 0.000 1.073 326 V CA -0.908 61.521 62.300 0.215 0.000 0.921 326 V CB 2.070 33.923 31.823 0.050 0.000 1.009 326 V HN 0.624 nan 8.190 nan 0.000 0.426 327 L N 6.484 127.465 121.223 -0.404 0.000 2.333 327 L HA 0.914 5.275 4.340 0.035 0.000 0.280 327 L C -0.538 176.182 176.870 -0.251 0.000 1.004 327 L CA -0.154 54.334 54.840 -0.587 0.000 0.820 327 L CB 1.678 42.914 42.059 -1.371 0.000 1.247 327 L HN 0.624 nan 8.230 nan 0.000 0.416 328 V N 1.869 121.694 119.914 -0.149 0.000 3.078 328 V HA 1.131 5.272 4.120 0.035 0.000 0.311 328 V C -0.238 175.608 176.094 -0.414 0.000 1.138 328 V CA 0.165 62.370 62.300 -0.160 0.000 1.007 328 V CB 1.268 32.977 31.823 -0.190 0.000 1.045 328 V HN 1.109 nan 8.190 nan 0.000 0.432 329 G N 0.531 108.983 108.800 -0.581 0.000 2.451 329 G HA2 0.761 4.742 3.960 0.035 0.000 0.292 329 G HA3 0.761 4.742 3.960 0.035 0.000 0.292 329 G C -1.222 173.409 174.900 -0.448 0.000 1.427 329 G CA 0.082 44.441 45.100 -1.236 0.000 0.792 329 G HN 2.057 nan 8.290 nan 0.000 0.498 330 V N -2.388 117.402 119.914 -0.206 0.000 3.160 330 V HA 0.933 5.074 4.120 0.035 0.000 0.310 330 V C 0.346 176.650 176.094 0.350 0.000 1.181 330 V CA -0.485 61.890 62.300 0.126 0.000 1.047 330 V CB 1.141 33.007 31.823 0.071 0.000 1.068 330 V HN 1.774 nan 8.190 nan 0.000 0.441 331 V N -0.996 119.127 119.914 0.349 0.000 3.096 331 V HA 0.572 4.713 4.120 0.035 0.000 0.319 331 V C 1.392 177.687 176.094 0.335 0.000 1.082 331 V CA -0.094 62.460 62.300 0.423 0.000 1.022 331 V CB 1.195 33.245 31.823 0.380 0.000 1.103 331 V HN 1.050 nan 8.190 nan 0.000 0.455 332 K N -0.165 120.434 120.400 0.331 0.000 2.103 332 K HA -0.081 4.261 4.320 0.035 0.000 0.207 332 K C 0.293 177.024 176.600 0.219 0.000 1.048 332 K CA 1.917 58.351 56.287 0.246 0.000 0.930 332 K CB 0.064 32.689 32.500 0.209 0.000 0.716 332 K HN 0.910 nan 8.250 nan 0.000 0.444 333 D N 0.973 121.511 120.400 0.230 0.000 2.607 333 D HA 0.027 4.688 4.640 0.035 0.000 0.318 333 D C 0.039 176.484 176.300 0.241 0.000 1.212 333 D CA -0.104 54.024 54.000 0.212 0.000 0.861 333 D CB 1.345 42.253 40.800 0.180 0.000 1.064 333 D HN 0.113 nan 8.370 nan 0.000 0.500 334 E N 0.673 121.022 120.200 0.248 0.000 2.130 334 E HA -0.146 4.225 4.350 0.035 0.000 0.196 334 E C 1.916 178.700 176.600 0.307 0.000 0.998 334 E CA 0.906 57.480 56.400 0.289 0.000 0.806 334 E CB 0.131 29.954 29.700 0.204 0.000 0.738 334 E HN 0.476 nan 8.360 nan 0.000 0.459 335 G N 0.693 109.640 108.800 0.246 0.000 2.744 335 G HA2 -0.119 3.862 3.960 0.035 0.000 0.211 335 G HA3 -0.119 3.862 3.960 0.035 0.000 0.211 335 G C 1.667 176.765 174.900 0.330 0.000 1.146 335 G CA 0.714 45.987 45.100 0.289 0.000 0.787 335 G HN 0.346 nan 8.290 nan 0.000 0.534 336 S N 0.585 116.434 115.700 0.250 0.000 2.368 336 S HA -0.355 4.136 4.470 0.035 0.000 0.226 336 S C 2.063 176.712 174.600 0.082 0.000 1.044 336 S CA 1.565 59.872 58.200 0.178 0.000 1.062 336 S CB -0.968 62.244 63.200 0.020 0.000 0.931 336 S HN 0.385 nan 8.310 nan 0.000 0.440 337 Y N 2.185 122.391 120.300 -0.157 0.000 2.030 337 Y HA -0.273 4.297 4.550 0.035 0.000 0.272 337 Y C 2.067 177.832 175.900 -0.224 0.000 1.185 337 Y CA 2.197 60.051 58.100 -0.409 0.000 1.120 337 Y CB -0.851 37.265 38.460 -0.573 0.000 0.955 337 Y HN 0.287 nan 8.280 nan 0.000 0.495 338 F N -0.623 119.417 119.950 0.149 0.000 2.333 338 F HA -0.205 4.343 4.527 0.034 0.000 0.300 338 F C 2.115 177.979 175.800 0.107 0.000 1.083 338 F CA 0.990 59.052 58.000 0.104 0.000 1.395 338 F CB -0.823 38.184 39.000 0.011 0.000 1.056 338 F HN 0.052 nan 8.300 nan 0.000 0.529 339 L N -0.007 121.331 121.223 0.192 0.000 2.083 339 L HA -0.172 4.189 4.340 0.035 0.000 0.209 339 L C 2.433 179.379 176.870 0.127 0.000 1.083 339 L CA 1.190 56.020 54.840 -0.016 0.000 0.752 339 L CB -0.961 40.868 42.059 -0.383 0.000 0.899 339 L HN 0.211 nan 8.230 nan 0.000 0.433 340 V N -4.596 115.454 119.914 0.225 0.000 3.305 340 V HA -0.171 3.970 4.120 0.035 0.000 0.269 340 V C 1.192 177.284 176.094 -0.003 0.000 1.157 340 V CA 0.861 63.283 62.300 0.203 0.000 1.157 340 V CB -1.133 30.830 31.823 0.235 0.000 0.772 340 V HN 0.313 nan 8.190 nan 0.000 0.498 341 Y N 1.666 121.992 120.300 0.043 0.000 2.645 341 Y HA 0.668 5.239 4.550 0.035 0.000 0.307 341 Y C 1.637 177.523 175.900 -0.023 0.000 1.151 341 Y CA 0.236 58.326 58.100 -0.016 0.000 1.291 341 Y CB 0.561 38.993 38.460 -0.047 0.000 1.135 341 Y HN 0.406 nan 8.280 nan 0.000 0.523 342 G N -1.441 107.424 108.800 0.107 0.000 3.578 342 G HA2 -0.100 3.881 3.960 0.035 0.000 0.220 342 G HA3 -0.100 3.881 3.960 0.035 0.000 0.220 342 G C -0.724 174.229 174.900 0.088 0.000 0.933 342 G CA -0.466 44.679 45.100 0.075 0.000 0.847 342 G HN -0.035 nan 8.290 nan 0.000 0.612 343 V N 2.874 122.860 119.914 0.119 0.000 2.385 343 V HA 0.410 4.551 4.120 0.035 0.000 0.269 343 V C -1.942 174.315 176.094 0.273 0.000 1.043 343 V CA -1.608 60.787 62.300 0.158 0.000 0.906 343 V CB 1.187 33.050 31.823 0.067 0.000 0.995 343 V HN 0.064 nan 8.190 nan 0.000 0.467 344 P HA 0.228 nan 4.420 nan 0.000 0.262 344 P C 1.014 178.419 177.300 0.175 0.000 1.182 344 P CA 1.352 64.543 63.100 0.151 0.000 0.761 344 P CB 0.585 32.341 31.700 0.093 0.000 0.795 345 G N 1.529 110.374 108.800 0.075 0.000 2.238 345 G HA2 -0.205 3.776 3.960 0.035 0.000 0.217 345 G HA3 -0.205 3.776 3.960 0.035 0.000 0.217 345 G C -0.191 174.538 174.900 -0.284 0.000 0.996 345 G CA -0.622 44.404 45.100 -0.123 0.000 0.632 345 G HN 0.393 nan 8.290 nan 0.000 0.503 346 F N 1.634 121.592 119.950 0.013 0.000 2.421 346 F HA 0.803 5.351 4.527 0.034 0.000 0.337 346 F C 0.593 176.474 175.800 0.134 0.000 1.105 346 F CA -0.151 57.875 58.000 0.044 0.000 1.049 346 F CB 2.244 41.318 39.000 0.124 0.000 1.139 346 F HN 0.210 nan 8.300 nan 0.000 0.479 347 S N 1.647 117.561 115.700 0.357 0.000 2.570 347 S HA 0.315 4.806 4.470 0.035 0.000 0.270 347 S C 0.139 175.021 174.600 0.471 0.000 1.149 347 S CA -0.851 57.559 58.200 0.350 0.000 0.837 347 S CB 1.495 64.807 63.200 0.187 0.000 1.124 347 S HN 0.765 nan 8.310 nan 0.000 0.465 348 K N 0.909 121.495 120.400 0.310 0.000 2.418 348 K HA 0.167 4.508 4.320 0.035 0.000 0.195 348 K C 0.031 176.670 176.600 0.064 0.000 1.035 348 K CA 0.807 57.198 56.287 0.174 0.000 1.003 348 K CB -0.090 32.273 32.500 -0.230 0.000 0.793 348 K HN 0.460 nan 8.250 nan 0.000 0.494 349 D N 1.104 121.532 120.400 0.047 0.000 2.350 349 D HA -0.006 4.655 4.640 0.035 0.000 0.213 349 D C -0.183 176.146 176.300 0.048 0.000 1.031 349 D CA 0.380 54.377 54.000 -0.005 0.000 0.861 349 D CB 0.108 40.883 40.800 -0.041 0.000 0.926 349 D HN 0.483 nan 8.370 nan 0.000 0.520 350 N N -0.846 117.914 118.700 0.100 0.000 2.831 350 N HA 0.097 4.859 4.740 0.035 0.000 0.276 350 N C 0.538 176.069 175.510 0.035 0.000 1.416 350 N CA -0.537 52.538 53.050 0.041 0.000 0.799 350 N CB 0.913 39.384 38.487 -0.027 0.000 1.554 350 N HN -0.442 nan 8.380 nan 0.000 0.541 351 E N -0.337 119.818 120.200 -0.075 0.000 2.333 351 E HA -0.055 4.316 4.350 0.035 0.000 0.198 351 E C -0.297 175.934 176.600 -0.616 0.000 1.007 351 E CA 0.771 57.045 56.400 -0.209 0.000 0.845 351 E CB -0.612 29.004 29.700 -0.141 0.000 0.766 351 E HN 0.613 nan 8.360 nan 0.000 0.507 352 S N -0.432 114.942 115.700 -0.543 0.000 3.635 352 S HA -0.195 4.296 4.470 0.035 0.000 0.328 352 S C 0.306 174.453 174.600 -0.756 0.000 1.135 352 S CA 0.161 57.894 58.200 -0.780 0.000 0.942 352 S CB -1.903 60.549 63.200 -1.247 0.000 0.930 352 S HN 0.268 nan 8.310 nan 0.000 0.512 353 L N 1.784 122.726 121.223 -0.469 0.000 2.477 353 L HA 0.362 4.724 4.340 0.035 0.000 0.272 353 L C 0.767 177.432 176.870 -0.341 0.000 1.157 353 L CA 0.116 54.749 54.840 -0.345 0.000 0.889 353 L CB 0.022 41.951 42.059 -0.216 0.000 1.158 353 L HN 0.424 nan 8.230 nan 0.000 0.473 354 I N 0.131 120.506 120.570 -0.324 0.000 2.863 354 I HA 0.647 4.838 4.170 0.035 0.000 0.311 354 I C 0.484 176.534 176.117 -0.112 0.000 1.026 354 I CA -0.673 60.480 61.300 -0.245 0.000 1.077 354 I CB 1.932 39.773 38.000 -0.265 0.000 1.262 354 I HN 0.561 nan 8.210 nan 0.000 0.461 355 S N 2.185 117.851 115.700 -0.055 0.000 2.669 355 S HA 0.373 4.864 4.470 0.035 0.000 0.270 355 S C 0.909 175.540 174.600 0.053 0.000 1.225 355 S CA -0.510 57.684 58.200 -0.011 0.000 0.991 355 S CB 1.587 64.787 63.200 0.000 0.000 0.987 355 S HN 0.877 nan 8.310 nan 0.000 0.552 356 R N 0.465 121.000 120.500 0.059 0.000 2.092 356 R HA -0.030 4.331 4.340 0.035 0.000 0.231 356 R C 2.285 178.694 176.300 0.183 0.000 1.119 356 R CA 1.424 57.603 56.100 0.132 0.000 0.970 356 R CB -1.028 29.325 30.300 0.087 0.000 0.864 356 R HN 0.834 nan 8.270 nan 0.000 0.440 357 A N 0.613 123.500 122.820 0.111 0.000 1.902 357 A HA -0.202 4.139 4.320 0.035 0.000 0.217 357 A C 2.015 179.662 177.584 0.104 0.000 1.181 357 A CA 1.434 53.527 52.037 0.093 0.000 0.623 357 A CB -0.457 18.578 19.000 0.058 0.000 0.818 357 A HN 0.492 nan 8.150 nan 0.000 0.443 358 Q N -1.770 118.097 119.800 0.113 0.000 2.170 358 Q HA -0.144 4.217 4.340 0.035 0.000 0.203 358 Q C 1.874 178.001 176.000 0.212 0.000 0.976 358 Q CA 1.524 57.405 55.803 0.129 0.000 0.858 358 Q CB -0.300 28.491 28.738 0.088 0.000 0.907 358 Q HN 0.813 nan 8.270 nan 0.000 0.433 359 F N 1.102 121.100 119.950 0.079 0.000 2.113 359 F HA -0.195 4.357 4.527 0.041 0.000 0.297 359 F C 1.762 177.611 175.800 0.082 0.000 1.103 359 F CA 1.018 59.077 58.000 0.098 0.000 1.248 359 F CB 0.085 39.126 39.000 0.070 0.000 0.999 359 F HN -0.041 nan 8.300 nan 0.000 0.475 360 L N 0.147 121.327 121.223 -0.073 0.000 2.131 360 L HA -0.176 4.185 4.340 0.035 0.000 0.210 360 L C 2.785 179.587 176.870 -0.112 0.000 1.092 360 L CA 1.005 55.738 54.840 -0.178 0.000 0.759 360 L CB -1.430 40.610 42.059 -0.031 0.000 0.903 360 L HN 0.274 nan 8.230 nan 0.000 0.435 361 A N 0.726 123.532 122.820 -0.023 0.000 1.897 361 A HA -0.044 4.297 4.320 0.035 0.000 0.215 361 A C 2.451 180.034 177.584 -0.002 0.000 1.181 361 A CA 1.490 53.529 52.037 0.004 0.000 0.620 361 A CB -1.107 17.919 19.000 0.043 0.000 0.821 361 A HN 0.404 nan 8.150 nan 0.000 0.443 362 G N -0.369 108.443 108.800 0.019 0.000 2.440 362 G HA2 -0.147 3.834 3.960 0.035 0.000 0.218 362 G HA3 -0.147 3.834 3.960 0.035 0.000 0.218 362 G C 1.497 176.362 174.900 -0.058 0.000 1.154 362 G CA 1.277 46.394 45.100 0.028 0.000 0.767 362 G HN 0.311 nan 8.290 nan 0.000 0.552 363 V N 1.075 120.887 119.914 -0.170 0.000 2.392 363 V HA -0.159 3.982 4.120 0.035 0.000 0.249 363 V C 2.970 179.008 176.094 -0.093 0.000 1.059 363 V CA 1.745 63.936 62.300 -0.183 0.000 1.051 363 V CB -0.402 31.231 31.823 -0.315 0.000 0.658 363 V HN 0.237 nan 8.190 nan 0.000 0.455 364 R N -0.217 120.241 120.500 -0.070 0.000 2.148 364 R HA 0.059 4.420 4.340 0.035 0.000 0.227 364 R C 2.002 178.290 176.300 -0.020 0.000 1.103 364 R CA 1.246 57.324 56.100 -0.036 0.000 0.983 364 R CB -0.704 29.582 30.300 -0.022 0.000 0.874 364 R HN 0.490 nan 8.270 nan 0.000 0.451 365 I N -0.616 119.945 120.570 -0.015 0.000 2.480 365 I HA -0.023 4.168 4.170 0.035 0.000 0.251 365 I C 2.238 178.354 176.117 -0.001 0.000 1.124 365 I CA 1.135 62.436 61.300 0.002 0.000 1.444 365 I CB -0.422 37.588 38.000 0.017 0.000 1.098 365 I HN 0.155 nan 8.210 nan 0.000 0.428 366 G N 0.494 109.283 108.800 -0.019 0.000 2.448 366 G HA2 -0.031 3.950 3.960 0.035 0.000 0.218 366 G HA3 -0.031 3.950 3.960 0.035 0.000 0.218 366 G C 0.868 175.747 174.900 -0.034 0.000 1.135 366 G CA 0.466 45.554 45.100 -0.021 0.000 0.784 366 G HN 0.247 nan 8.290 nan 0.000 0.543 367 V N 2.030 121.906 119.914 -0.063 0.000 2.468 367 V HA 0.205 4.346 4.120 0.035 0.000 0.256 367 V C -1.280 174.790 176.094 -0.039 0.000 0.998 367 V CA -1.014 61.209 62.300 -0.127 0.000 1.114 367 V CB 1.460 33.182 31.823 -0.169 0.000 1.378 367 V HN 0.079 nan 8.190 nan 0.000 0.573 368 P HA -0.208 nan 4.420 nan 0.000 0.217 368 P C 0.985 178.292 177.300 0.011 0.000 1.148 368 P CA 1.355 64.460 63.100 0.008 0.000 0.834 368 P CB 0.551 32.262 31.700 0.018 0.000 0.783 369 Q N -0.623 119.191 119.800 0.023 0.000 2.403 369 Q HA 0.277 4.638 4.340 0.035 0.000 0.203 369 Q C 0.868 176.872 176.000 0.007 0.000 0.932 369 Q CA 0.016 55.831 55.803 0.020 0.000 0.945 369 Q CB -0.418 28.344 28.738 0.040 0.000 1.045 369 Q HN 0.237 nan 8.270 nan 0.000 0.511 370 A N 0.648 123.466 122.820 -0.003 0.000 2.401 370 A HA 0.480 4.822 4.320 0.035 0.000 0.259 370 A C 0.458 178.035 177.584 -0.011 0.000 1.103 370 A CA -0.342 51.688 52.037 -0.011 0.000 0.789 370 A CB 0.299 19.290 19.000 -0.015 0.000 1.035 370 A HN 0.332 nan 8.150 nan 0.000 0.491 371 S N 1.511 117.202 115.700 -0.015 0.000 2.626 371 S HA 0.119 4.610 4.470 0.035 0.000 0.257 371 S C 0.374 174.973 174.600 -0.002 0.000 1.288 371 S CA 0.119 58.312 58.200 -0.011 0.000 0.980 371 S CB 0.395 63.584 63.200 -0.017 0.000 0.975 371 S HN 0.638 nan 8.310 nan 0.000 0.577 372 D N -0.033 120.369 120.400 0.003 0.000 2.144 372 D HA -0.062 4.599 4.640 0.035 0.000 0.200 372 D C 1.796 178.110 176.300 0.023 0.000 0.978 372 D CA 0.726 54.733 54.000 0.011 0.000 0.833 372 D CB -0.378 40.430 40.800 0.013 0.000 0.961 372 D HN 0.392 nan 8.370 nan 0.000 0.470 373 L N 1.281 122.518 121.223 0.023 0.000 2.056 373 L HA -0.018 4.344 4.340 0.035 0.000 0.207 373 L C 2.207 179.111 176.870 0.057 0.000 1.078 373 L CA 1.516 56.381 54.840 0.041 0.000 0.749 373 L CB -0.768 41.310 42.059 0.032 0.000 0.901 373 L HN -0.060 nan 8.230 nan 0.000 0.433 374 A N -0.442 122.392 122.820 0.024 0.000 1.902 374 A HA -0.101 4.240 4.320 0.035 0.000 0.217 374 A C 2.453 180.065 177.584 0.046 0.000 1.181 374 A CA 1.811 53.857 52.037 0.015 0.000 0.623 374 A CB -1.165 17.812 19.000 -0.039 0.000 0.818 374 A HN 0.563 nan 8.150 nan 0.000 0.443 375 A N -0.436 122.402 122.820 0.030 0.000 1.902 375 A HA -0.159 4.182 4.320 0.035 0.000 0.217 375 A C 1.979 179.596 177.584 0.056 0.000 1.181 375 A CA 2.168 54.219 52.037 0.025 0.000 0.623 375 A CB -0.486 18.513 19.000 -0.001 0.000 0.818 375 A HN 0.495 nan 8.150 nan 0.000 0.443 376 E N 0.286 120.530 120.200 0.073 0.000 2.077 376 E HA -0.088 4.283 4.350 0.035 0.000 0.193 376 E C 2.067 178.761 176.600 0.157 0.000 0.989 376 E CA 1.595 58.057 56.400 0.103 0.000 0.800 376 E CB -0.533 29.222 29.700 0.092 0.000 0.746 376 E HN 0.473 nan 8.360 nan 0.000 0.452 377 A N -0.056 122.880 122.820 0.193 0.000 1.908 377 A HA -0.156 4.185 4.320 0.035 0.000 0.218 377 A C 2.520 180.287 177.584 0.306 0.000 1.181 377 A CA 1.695 53.904 52.037 0.287 0.000 0.627 377 A CB -0.773 18.496 19.000 0.448 0.000 0.818 377 A HN 0.196 nan 8.150 nan 0.000 0.445 378 V N -0.477 119.623 119.914 0.309 0.000 2.295 378 V HA -0.233 3.908 4.120 0.035 0.000 0.246 378 V C 2.582 178.864 176.094 0.314 0.000 1.049 378 V CA 1.997 64.482 62.300 0.308 0.000 1.024 378 V CB -0.781 31.161 31.823 0.198 0.000 0.648 378 V HN 0.377 nan 8.190 nan 0.000 0.447 379 V N -0.116 119.917 119.914 0.198 0.000 2.287 379 V HA -0.266 3.875 4.120 0.035 0.000 0.248 379 V C 2.288 178.597 176.094 0.358 0.000 1.053 379 V CA 2.062 64.504 62.300 0.237 0.000 1.027 379 V CB -0.543 31.351 31.823 0.118 0.000 0.646 379 V HN 0.455 nan 8.190 nan 0.000 0.447 380 L N -0.725 120.693 121.223 0.325 0.000 2.141 380 L HA -0.182 4.179 4.340 0.035 0.000 0.209 380 L C 2.496 179.562 176.870 0.328 0.000 1.094 380 L CA 1.824 56.925 54.840 0.435 0.000 0.763 380 L CB -0.736 41.501 42.059 0.296 0.000 0.908 380 L HN 0.472 nan 8.230 nan 0.000 0.437 381 H N -0.923 118.151 119.070 0.007 0.000 2.395 381 H HA -0.144 4.435 4.556 0.038 0.000 0.299 381 H C 1.838 177.037 175.328 -0.215 0.000 1.070 381 H CA 1.692 57.569 56.048 -0.285 0.000 1.356 381 H CB 0.113 29.308 29.762 -0.945 0.000 1.401 381 H HN 0.212 nan 8.280 nan 0.000 0.524 382 Y N 0.043 120.404 120.300 0.102 0.000 2.517 382 Y HA 0.113 4.683 4.550 0.034 0.000 0.281 382 Y C 0.892 176.771 175.900 -0.036 0.000 1.125 382 Y CA 0.448 58.620 58.100 0.120 0.000 1.283 382 Y CB 0.111 38.784 38.460 0.356 0.000 1.042 382 Y HN 0.035 nan 8.280 nan 0.000 0.547 383 T N 1.676 116.234 114.554 0.007 0.000 2.928 383 T HA -0.081 4.290 4.350 0.035 0.000 0.305 383 T C -0.110 174.195 174.700 -0.659 0.000 1.035 383 T CA -0.091 61.737 62.100 -0.454 0.000 1.145 383 T CB 0.250 68.564 68.868 -0.922 0.000 0.963 383 T HN 0.104 nan 8.240 nan 0.000 0.545 384 D N 2.067 122.131 120.400 -0.559 0.000 2.428 384 D HA 0.075 4.736 4.640 0.035 0.000 0.221 384 D C 0.185 176.172 176.300 -0.521 0.000 1.123 384 D CA -0.624 53.141 54.000 -0.391 0.000 0.869 384 D CB 0.386 41.062 40.800 -0.206 0.000 1.032 384 D HN 0.635 nan 8.370 nan 0.000 0.506 385 W N 3.118 124.349 121.300 -0.115 0.000 2.560 385 W HA -0.043 4.637 4.660 0.033 0.000 0.252 385 W C 2.007 178.418 176.519 -0.179 0.000 1.242 385 W CA -0.180 57.093 57.345 -0.121 0.000 1.242 385 W CB 0.124 29.524 29.460 -0.100 0.000 1.136 385 W HN 0.442 nan 8.180 nan 0.000 0.625 386 L N -1.381 119.733 121.223 -0.181 0.000 2.307 386 L HA -0.012 4.349 4.340 0.035 0.000 0.211 386 L C 0.174 176.670 176.870 -0.624 0.000 1.099 386 L CA 0.999 55.586 54.840 -0.421 0.000 0.816 386 L CB -0.074 41.603 42.059 -0.637 0.000 0.952 386 L HN 0.035 nan 8.230 nan 0.000 0.455 387 H N -1.702 117.234 119.070 -0.223 0.000 2.616 387 H HA 0.147 4.709 4.556 0.010 0.000 0.229 387 H C -1.834 173.312 175.328 -0.303 0.000 1.418 387 H CA -1.169 54.717 56.048 -0.271 0.000 1.248 387 H CB 0.205 29.698 29.762 -0.449 0.000 1.822 387 H HN -0.012 nan 8.280 nan 0.000 0.522 388 P HA -0.179 nan 4.420 nan 0.000 0.223 388 P C 0.663 177.854 177.300 -0.182 0.000 1.144 388 P CA 1.284 64.205 63.100 -0.298 0.000 0.783 388 P CB 0.683 32.244 31.700 -0.232 0.000 0.771 389 E N -0.544 119.598 120.200 -0.096 0.000 2.511 389 E HA 0.033 4.404 4.350 0.035 0.000 0.209 389 E C 0.078 176.640 176.600 -0.062 0.000 0.986 389 E CA -0.094 56.270 56.400 -0.061 0.000 0.974 389 E CB -0.139 29.548 29.700 -0.022 0.000 1.030 389 E HN 0.252 nan 8.360 nan 0.000 0.490 390 D N 3.185 123.544 120.400 -0.068 0.000 2.451 390 D HA -0.040 4.621 4.640 0.035 0.000 0.254 390 D C -1.127 175.143 176.300 -0.051 0.000 1.204 390 D CA -1.193 52.776 54.000 -0.051 0.000 0.896 390 D CB 1.174 41.938 40.800 -0.059 0.000 1.136 390 D HN -0.102 nan 8.370 nan 0.000 0.499 391 P HA -0.195 nan 4.420 nan 0.000 0.215 391 P C 1.121 178.362 177.300 -0.098 0.000 1.153 391 P CA 1.335 64.379 63.100 -0.092 0.000 0.853 391 P CB 0.075 31.714 31.700 -0.100 0.000 0.788 392 T N -1.076 113.438 114.554 -0.067 0.000 2.746 392 T HA -0.149 4.223 4.350 0.035 0.000 0.267 392 T C 1.748 176.403 174.700 -0.076 0.000 1.039 392 T CA 1.636 63.689 62.100 -0.079 0.000 1.142 392 T CB -0.977 67.848 68.868 -0.073 0.000 0.866 392 T HN 0.280 nan 8.240 nan 0.000 0.444 393 H N 0.572 119.572 119.070 -0.117 0.000 2.357 393 H HA 0.175 4.747 4.556 0.026 0.000 0.301 393 H C 2.150 177.370 175.328 -0.180 0.000 1.082 393 H CA 0.956 56.935 56.048 -0.116 0.000 1.342 393 H CB -0.379 29.310 29.762 -0.122 0.000 1.389 393 H HN 0.191 nan 8.280 nan 0.000 0.511 394 L N 0.065 121.210 121.223 -0.129 0.000 2.083 394 L HA -0.180 4.181 4.340 0.035 0.000 0.209 394 L C 2.753 179.528 176.870 -0.158 0.000 1.083 394 L CA 1.151 55.773 54.840 -0.363 0.000 0.752 394 L CB -0.312 41.558 42.059 -0.314 0.000 0.899 394 L HN 0.265 nan 8.230 nan 0.000 0.433 395 R N 0.635 121.112 120.500 -0.038 0.000 2.062 395 R HA -0.174 4.187 4.340 0.035 0.000 0.231 395 R C 1.626 178.048 176.300 0.205 0.000 1.136 395 R CA 2.074 58.242 56.100 0.113 0.000 0.948 395 R CB -0.394 29.832 30.300 -0.123 0.000 0.845 395 R HN 0.293 nan 8.270 nan 0.000 0.430 396 D N 0.491 120.952 120.400 0.102 0.000 2.218 396 D HA -0.077 4.585 4.640 0.035 0.000 0.204 396 D C 1.627 178.020 176.300 0.154 0.000 0.976 396 D CA 1.335 55.419 54.000 0.141 0.000 0.853 396 D CB -0.107 40.724 40.800 0.051 0.000 0.939 396 D HN 0.395 nan 8.370 nan 0.000 0.481 397 A N 0.268 123.145 122.820 0.094 0.000 1.968 397 A HA -0.078 4.263 4.320 0.035 0.000 0.217 397 A C 2.081 179.806 177.584 0.235 0.000 1.169 397 A CA 1.046 53.173 52.037 0.151 0.000 0.638 397 A CB -0.361 18.602 19.000 -0.061 0.000 0.812 397 A HN 0.144 nan 8.150 nan 0.000 0.446 398 M N -0.139 119.642 119.600 0.301 0.000 2.175 398 M HA -0.065 4.437 4.480 0.035 0.000 0.264 398 M C 2.250 178.621 176.300 0.120 0.000 1.063 398 M CA 2.018 57.514 55.300 0.327 0.000 1.119 398 M CB -0.521 32.302 32.600 0.371 0.000 1.377 398 M HN 0.374 nan 8.290 nan 0.000 0.415 399 S N -0.257 115.534 115.700 0.152 0.000 2.356 399 S HA -0.092 4.399 4.470 0.035 0.000 0.223 399 S C 2.056 176.738 174.600 0.137 0.000 1.032 399 S CA 1.517 59.812 58.200 0.157 0.000 1.005 399 S CB -0.584 62.772 63.200 0.261 0.000 0.867 399 S HN 0.630 nan 8.310 nan 0.000 0.449 400 A N 0.892 123.810 122.820 0.163 0.000 1.902 400 A HA -0.006 4.335 4.320 0.035 0.000 0.217 400 A C 2.362 179.993 177.584 0.078 0.000 1.181 400 A CA 1.801 53.961 52.037 0.205 0.000 0.623 400 A CB -1.162 18.070 19.000 0.387 0.000 0.818 400 A HN 0.453 nan 8.150 nan 0.000 0.443 401 V N -0.366 119.433 119.914 -0.193 0.000 2.252 401 V HA -0.273 3.868 4.120 0.035 0.000 0.249 401 V C 2.595 178.629 176.094 -0.101 0.000 1.056 401 V CA 2.216 64.340 62.300 -0.294 0.000 1.022 401 V CB -0.840 30.815 31.823 -0.280 0.000 0.641 401 V HN 0.384 nan 8.190 nan 0.000 0.445 402 V N 0.649 120.522 119.914 -0.068 0.000 2.295 402 V HA -0.176 3.965 4.120 0.035 0.000 0.246 402 V C 2.614 178.602 176.094 -0.176 0.000 1.049 402 V CA 2.228 64.471 62.300 -0.095 0.000 1.024 402 V CB -1.376 30.437 31.823 -0.016 0.000 0.648 402 V HN 0.625 nan 8.190 nan 0.000 0.447 403 G N -0.438 108.324 108.800 -0.064 0.000 2.422 403 G HA2 -0.226 3.755 3.960 0.035 0.000 0.218 403 G HA3 -0.226 3.755 3.960 0.035 0.000 0.218 403 G C 1.228 176.049 174.900 -0.131 0.000 1.146 403 G CA 1.002 46.064 45.100 -0.064 0.000 0.769 403 G HN 0.511 nan 8.290 nan 0.000 0.547 404 D N -0.256 120.092 120.400 -0.087 0.000 2.103 404 D HA -0.066 4.595 4.640 0.035 0.000 0.199 404 D C 2.083 178.071 176.300 -0.520 0.000 0.978 404 D CA 1.185 55.104 54.000 -0.135 0.000 0.829 404 D CB -0.497 40.414 40.800 0.186 0.000 0.981 404 D HN 0.401 nan 8.370 nan 0.000 0.464 405 H N 1.090 119.594 119.070 -0.944 0.000 2.353 405 H HA -0.003 4.574 4.556 0.035 0.000 0.300 405 H C 1.478 176.385 175.328 -0.701 0.000 1.090 405 H CA 1.747 57.038 56.048 -1.263 0.000 1.327 405 H CB 0.061 29.077 29.762 -1.244 0.000 1.383 405 H HN 0.005 nan 8.280 nan 0.000 0.508 406 N N -0.845 117.399 118.700 -0.761 0.000 2.409 406 N HA -0.002 4.759 4.740 0.035 0.000 0.174 406 N C 1.229 176.480 175.510 -0.432 0.000 1.037 406 N CA 1.107 53.664 53.050 -0.821 0.000 0.898 406 N CB 1.020 38.444 38.487 -1.770 0.000 1.010 406 N HN 0.280 nan 8.380 nan 0.000 0.445 407 V N -0.360 119.350 119.914 -0.340 0.000 3.278 407 V HA 0.044 4.185 4.120 0.035 0.000 0.215 407 V C 2.219 178.258 176.094 -0.092 0.000 1.287 407 V CA 0.178 62.410 62.300 -0.114 0.000 1.302 407 V CB -0.254 31.566 31.823 -0.006 0.000 1.228 407 V HN -0.181 nan 8.190 nan 0.000 0.523 408 V N 0.295 120.160 119.914 -0.081 0.000 2.231 408 V HA -0.341 3.800 4.120 0.035 0.000 0.248 408 V C 2.525 178.576 176.094 -0.071 0.000 1.054 408 V CA 2.739 65.007 62.300 -0.054 0.000 1.015 408 V CB -0.961 30.863 31.823 0.001 0.000 0.638 408 V HN 0.679 nan 8.190 nan 0.000 0.444 409 c N -0.392 118.155 118.600 -0.088 0.000 2.440 409 c HA -0.012 4.580 4.570 0.035 0.000 0.278 409 c C 0.587 174.629 174.090 -0.079 0.000 1.295 409 c CA 1.020 57.323 56.329 -0.043 0.000 1.738 409 c CB -1.829 40.676 42.510 -0.008 0.000 1.987 409 c HN 0.457 nan 8.230 nan 0.000 0.492 410 P HA -0.048 nan 4.420 nan 0.000 0.218 410 P C 1.753 178.982 177.300 -0.120 0.000 1.149 410 P CA 1.220 64.233 63.100 -0.145 0.000 0.817 410 P CB -0.096 31.483 31.700 -0.202 0.000 0.785 411 V N -0.041 119.805 119.914 -0.113 0.000 2.427 411 V HA -0.212 3.929 4.120 0.035 0.000 0.248 411 V C 2.375 178.373 176.094 -0.161 0.000 1.051 411 V CA 2.150 64.371 62.300 -0.131 0.000 1.048 411 V CB -1.555 30.190 31.823 -0.130 0.000 0.666 411 V HN 0.084 nan 8.190 nan 0.000 0.456 412 A N -0.335 122.409 122.820 -0.126 0.000 1.902 412 A HA -0.311 4.030 4.320 0.035 0.000 0.217 412 A C 2.179 179.727 177.584 -0.059 0.000 1.181 412 A CA 2.195 54.169 52.037 -0.105 0.000 0.623 412 A CB -0.522 18.467 19.000 -0.018 0.000 0.818 412 A HN 0.599 nan 8.150 nan 0.000 0.443 413 Q N -0.608 119.167 119.800 -0.042 0.000 2.061 413 Q HA -0.174 4.188 4.340 0.035 0.000 0.204 413 Q C 1.889 177.863 176.000 -0.044 0.000 0.984 413 Q CA 1.989 57.780 55.803 -0.020 0.000 0.846 413 Q CB -0.447 28.274 28.738 -0.028 0.000 0.902 413 Q HN 0.502 nan 8.270 nan 0.000 0.421 414 L N 0.296 121.464 121.223 -0.092 0.000 2.017 414 L HA -0.047 4.314 4.340 0.035 0.000 0.208 414 L C 2.238 179.028 176.870 -0.133 0.000 1.073 414 L CA 2.255 57.024 54.840 -0.118 0.000 0.745 414 L CB -1.112 40.860 42.059 -0.145 0.000 0.894 414 L HN 0.323 nan 8.230 nan 0.000 0.432 415 A N -0.450 122.253 122.820 -0.194 0.000 1.892 415 A HA -0.161 4.181 4.320 0.035 0.000 0.218 415 A C 2.350 179.918 177.584 -0.025 0.000 1.188 415 A CA 1.895 53.761 52.037 -0.284 0.000 0.631 415 A CB -1.705 16.838 19.000 -0.762 0.000 0.822 415 A HN 0.552 nan 8.150 nan 0.000 0.447 416 G N -0.728 108.120 108.800 0.081 0.000 2.421 416 G HA2 -0.216 3.765 3.960 0.035 0.000 0.216 416 G HA3 -0.216 3.765 3.960 0.035 0.000 0.216 416 G C 1.666 176.638 174.900 0.121 0.000 1.171 416 G CA 0.870 46.091 45.100 0.202 0.000 0.775 416 G HN 0.424 nan 8.290 nan 0.000 0.543 417 R N 0.294 120.835 120.500 0.067 0.000 2.075 417 R HA 0.108 4.469 4.340 0.035 0.000 0.232 417 R C 2.673 179.038 176.300 0.109 0.000 1.126 417 R CA 0.540 56.692 56.100 0.088 0.000 0.963 417 R CB -1.252 29.096 30.300 0.081 0.000 0.858 417 R HN 0.403 nan 8.270 nan 0.000 0.435 418 L N 0.448 121.672 121.223 0.003 0.000 2.046 418 L HA -0.138 4.223 4.340 0.035 0.000 0.208 418 L C 2.632 179.552 176.870 0.084 0.000 1.077 418 L CA 1.496 56.309 54.840 -0.045 0.000 0.747 418 L CB -0.669 41.263 42.059 -0.211 0.000 0.896 418 L HN 0.159 nan 8.230 nan 0.000 0.432 419 A N -0.079 122.801 122.820 0.098 0.000 1.898 419 A HA -0.121 4.220 4.320 0.035 0.000 0.216 419 A C 2.511 180.156 177.584 0.102 0.000 1.181 419 A CA 1.590 53.698 52.037 0.119 0.000 0.620 419 A CB -0.703 18.416 19.000 0.200 0.000 0.819 419 A HN 0.387 nan 8.150 nan 0.000 0.442 420 A N -1.101 121.784 122.820 0.108 0.000 1.972 420 A HA -0.116 4.225 4.320 0.035 0.000 0.219 420 A C 1.793 179.435 177.584 0.096 0.000 1.169 420 A CA 1.542 53.631 52.037 0.088 0.000 0.635 420 A CB -0.303 18.747 19.000 0.084 0.000 0.810 420 A HN 0.579 nan 8.150 nan 0.000 0.446 421 Q N -1.534 118.356 119.800 0.149 0.000 2.237 421 Q HA 0.400 4.761 4.340 0.035 0.000 0.252 421 Q C 0.872 176.967 176.000 0.159 0.000 0.877 421 Q CA 0.458 56.356 55.803 0.158 0.000 1.011 421 Q CB 0.282 29.157 28.738 0.228 0.000 1.118 421 Q HN 0.774 nan 8.270 nan 0.000 0.458 422 G N -0.661 108.210 108.800 0.120 0.000 2.234 422 G HA2 -0.284 3.697 3.960 0.035 0.000 0.235 422 G HA3 -0.284 3.697 3.960 0.035 0.000 0.235 422 G C 0.353 175.321 174.900 0.114 0.000 0.997 422 G CA -0.190 44.970 45.100 0.099 0.000 0.623 422 G HN 0.573 nan 8.290 nan 0.000 0.514 423 A N 0.079 122.989 122.820 0.150 0.000 2.332 423 A HA 0.739 5.080 4.320 0.035 0.000 0.258 423 A C 0.631 178.249 177.584 0.057 0.000 1.087 423 A CA 0.491 52.595 52.037 0.113 0.000 0.802 423 A CB 0.397 19.451 19.000 0.090 0.000 1.042 423 A HN 0.728 nan 8.150 nan 0.000 0.489 424 R N 1.094 121.623 120.500 0.049 0.000 2.207 424 R HA 0.530 4.892 4.340 0.035 0.000 0.334 424 R C -1.577 174.708 176.300 -0.025 0.000 1.013 424 R CA -0.176 55.921 56.100 -0.005 0.000 0.858 424 R CB 0.573 30.903 30.300 0.050 0.000 1.094 424 R HN 0.480 nan 8.270 nan 0.000 0.457 425 V N 5.436 125.263 119.914 -0.145 0.000 2.680 425 V HA 0.455 4.597 4.120 0.035 0.000 0.309 425 V C -1.153 174.744 176.094 -0.328 0.000 1.052 425 V CA -0.791 61.435 62.300 -0.124 0.000 0.908 425 V CB 1.741 33.559 31.823 -0.008 0.000 1.001 425 V HN 0.658 nan 8.190 nan 0.000 0.431 426 Y N 1.830 122.080 120.300 -0.083 0.000 2.425 426 Y HA 0.807 5.378 4.550 0.035 0.000 0.344 426 Y C 0.256 176.182 175.900 0.043 0.000 0.969 426 Y CA -0.542 57.491 58.100 -0.112 0.000 1.052 426 Y CB 2.313 40.373 38.460 -0.665 0.000 1.215 426 Y HN 0.788 nan 8.280 nan 0.000 0.451 427 A N 2.815 125.957 122.820 0.537 0.000 2.454 427 A HA 0.900 5.241 4.320 0.035 0.000 0.302 427 A C -1.898 176.064 177.584 0.631 0.000 1.079 427 A CA -0.700 51.550 52.037 0.355 0.000 0.731 427 A CB 1.356 20.382 19.000 0.043 0.000 1.299 427 A HN 0.762 nan 8.150 nan 0.000 0.413 428 Y N -1.029 119.523 120.300 0.421 0.000 2.655 428 Y HA 0.798 5.368 4.550 0.035 0.000 0.336 428 Y C -1.303 174.781 175.900 0.307 0.000 1.154 428 Y CA -1.695 56.610 58.100 0.342 0.000 1.055 428 Y CB 1.265 39.913 38.460 0.313 0.000 1.295 428 Y HN 0.747 nan 8.280 nan 0.000 0.465 429 I N 2.747 123.663 120.570 0.578 0.000 2.478 429 I HA 0.452 4.643 4.170 0.035 0.000 0.287 429 I C -1.930 174.544 176.117 0.595 0.000 1.042 429 I CA -0.942 60.652 61.300 0.490 0.000 1.067 429 I CB 1.061 39.274 38.000 0.355 0.000 1.233 429 I HN 0.716 nan 8.210 nan 0.000 0.431 430 F N 7.339 127.596 119.950 0.512 0.000 2.411 430 F HA 0.393 4.942 4.527 0.036 0.000 0.350 430 F C 0.616 176.583 175.800 0.278 0.000 1.114 430 F CA 0.210 58.433 58.000 0.372 0.000 1.135 430 F CB 0.920 40.138 39.000 0.363 0.000 1.120 430 F HN 0.544 nan 8.300 nan 0.000 0.495 431 E N 2.975 123.103 120.200 -0.119 0.000 2.630 431 E HA -0.020 4.352 4.350 0.035 0.000 0.218 431 E C -0.838 175.692 176.600 -0.117 0.000 0.977 431 E CA -0.184 56.204 56.400 -0.021 0.000 1.038 431 E CB 0.268 29.972 29.700 0.007 0.000 1.051 431 E HN 0.499 nan 8.360 nan 0.000 0.487 432 H N 1.681 120.447 119.070 -0.506 0.000 2.562 432 H HA 0.244 4.820 4.556 0.035 0.000 0.314 432 H C -0.441 174.904 175.328 0.029 0.000 1.079 432 H CA -0.489 55.343 56.048 -0.360 0.000 1.349 432 H CB 0.534 29.884 29.762 -0.686 0.000 1.432 432 H HN -0.138 nan 8.280 nan 0.000 0.479 433 R N 4.204 124.399 120.500 -0.508 0.000 2.202 433 R HA 0.503 4.864 4.340 0.035 0.000 0.334 433 R C -0.557 175.483 176.300 -0.433 0.000 1.036 433 R CA -0.647 55.297 56.100 -0.260 0.000 0.878 433 R CB 0.327 30.576 30.300 -0.084 0.000 1.067 433 R HN 0.810 nan 8.270 nan 0.000 0.457 434 A N 3.328 126.179 122.820 0.052 0.000 2.567 434 A HA -0.023 4.318 4.320 0.035 0.000 0.240 434 A C 1.387 179.101 177.584 0.216 0.000 1.053 434 A CA 0.629 52.901 52.037 0.391 0.000 0.755 434 A CB 0.206 19.553 19.000 0.579 0.000 0.978 434 A HN 1.050 nan 8.150 nan 0.000 0.507 435 S N 1.755 117.633 115.700 0.297 0.000 2.419 435 S HA -0.184 4.307 4.470 0.035 0.000 0.235 435 S C 1.409 176.046 174.600 0.062 0.000 1.019 435 S CA 1.767 60.066 58.200 0.166 0.000 0.982 435 S CB -0.861 62.455 63.200 0.193 0.000 0.789 435 S HN 1.337 nan 8.310 nan 0.000 0.490 436 T N -0.932 113.635 114.554 0.021 0.000 3.107 436 T HA 0.353 4.724 4.350 0.035 0.000 0.249 436 T C 0.401 175.073 174.700 -0.048 0.000 1.096 436 T CA -0.549 61.496 62.100 -0.091 0.000 1.012 436 T CB -0.560 68.133 68.868 -0.292 0.000 0.977 436 T HN 0.252 nan 8.240 nan 0.000 0.527 437 L N 3.868 125.101 121.223 0.016 0.000 2.559 437 L HA 0.212 4.574 4.340 0.035 0.000 0.282 437 L C 1.550 178.401 176.870 -0.032 0.000 1.232 437 L CA 1.049 55.885 54.840 -0.006 0.000 0.885 437 L CB 0.777 42.830 42.059 -0.011 0.000 1.131 437 L HN 0.453 nan 8.230 nan 0.000 0.498 438 T N -0.492 114.014 114.554 -0.081 0.000 3.054 438 T HA 0.156 4.528 4.350 0.035 0.000 0.255 438 T C 0.271 174.986 174.700 0.025 0.000 1.035 438 T CA -0.520 61.538 62.100 -0.069 0.000 0.941 438 T CB -0.301 68.470 68.868 -0.161 0.000 1.026 438 T HN 0.415 nan 8.240 nan 0.000 0.533 439 W N 3.347 124.664 121.300 0.029 0.000 2.215 439 W HA 0.465 5.145 4.660 0.035 0.000 0.342 439 W C -1.977 174.465 176.519 -0.127 0.000 1.237 439 W CA -2.206 55.143 57.345 0.007 0.000 1.283 439 W CB 0.278 29.661 29.460 -0.128 0.000 1.131 439 W HN -0.048 nan 8.180 nan 0.000 0.606 440 P HA -0.034 nan 4.420 nan 0.000 0.270 440 P C 0.600 177.837 177.300 -0.106 0.000 1.223 440 P CA 0.177 63.253 63.100 -0.040 0.000 0.785 440 P CB 0.926 32.616 31.700 -0.016 0.000 0.923 441 L N 0.657 121.887 121.223 0.012 0.000 2.079 441 L HA -0.143 4.218 4.340 0.035 0.000 0.210 441 L C 2.603 179.517 176.870 0.073 0.000 1.081 441 L CA 1.514 56.379 54.840 0.042 0.000 0.752 441 L CB -0.880 41.232 42.059 0.088 0.000 0.896 441 L HN 0.624 nan 8.230 nan 0.000 0.433 442 W N -0.523 120.822 121.300 0.075 0.000 2.424 442 W HA -0.194 4.486 4.660 0.034 0.000 0.264 442 W C 1.655 178.235 176.519 0.103 0.000 1.229 442 W CA 0.553 57.946 57.345 0.080 0.000 1.208 442 W CB -0.845 28.663 29.460 0.079 0.000 1.127 442 W HN 0.216 nan 8.180 nan 0.000 0.588 443 M N 1.219 120.536 119.600 -0.473 0.000 2.558 443 M HA 0.131 4.632 4.480 0.035 0.000 0.255 443 M C 1.818 178.055 176.300 -0.106 0.000 1.113 443 M CA 1.347 56.364 55.300 -0.472 0.000 1.097 443 M CB -0.553 31.605 32.600 -0.737 0.000 1.426 443 M HN 0.173 nan 8.290 nan 0.000 0.488 444 G N 0.710 109.497 108.800 -0.022 0.000 2.591 444 G HA2 -0.294 3.687 3.960 0.035 0.000 0.298 444 G HA3 -0.294 3.687 3.960 0.035 0.000 0.298 444 G C -0.129 174.800 174.900 0.048 0.000 1.195 444 G CA -0.115 45.012 45.100 0.045 0.000 0.989 444 G HN 0.233 nan 8.290 nan 0.000 0.551 445 V N 3.635 123.620 119.914 0.119 0.000 2.288 445 V HA 0.446 4.587 4.120 0.035 0.000 0.266 445 V C -1.748 174.479 176.094 0.221 0.000 1.048 445 V CA -0.781 61.638 62.300 0.198 0.000 0.842 445 V CB 1.005 33.003 31.823 0.291 0.000 1.064 445 V HN 0.524 nan 8.190 nan 0.000 0.472 446 P HA 0.154 nan 4.420 nan 0.000 0.274 446 P C -0.210 177.303 177.300 0.355 0.000 1.246 446 P CA -0.484 62.744 63.100 0.213 0.000 0.795 446 P CB 0.362 32.085 31.700 0.037 0.000 1.006 447 H N 0.830 119.970 119.070 0.116 0.000 3.157 447 H HA 0.225 4.802 4.556 0.035 0.000 0.299 447 H C 1.579 176.796 175.328 -0.185 0.000 0.961 447 H CA 2.347 58.397 56.048 0.003 0.000 1.428 447 H CB -0.742 29.010 29.762 -0.017 0.000 1.459 447 H HN 0.740 nan 8.280 nan 0.000 0.566 448 G N 3.618 112.168 108.800 -0.417 0.000 2.234 448 G HA2 -0.319 3.662 3.960 0.035 0.000 0.235 448 G HA3 -0.319 3.662 3.960 0.035 0.000 0.235 448 G C 0.590 175.318 174.900 -0.288 0.000 0.997 448 G CA 0.323 45.130 45.100 -0.488 0.000 0.623 448 G HN 0.631 nan 8.290 nan 0.000 0.514 449 Y N 1.868 122.227 120.300 0.099 0.000 2.465 449 Y HA 0.263 4.835 4.550 0.036 0.000 0.311 449 Y C 2.258 178.240 175.900 0.137 0.000 1.204 449 Y CA 0.995 59.214 58.100 0.199 0.000 1.272 449 Y CB 0.316 38.942 38.460 0.276 0.000 1.083 449 Y HN 0.542 nan 8.280 nan 0.000 0.508 450 E N -0.262 119.866 120.200 -0.120 0.000 2.389 450 E HA -0.025 4.346 4.350 0.035 0.000 0.199 450 E C 1.625 178.067 176.600 -0.263 0.000 0.978 450 E CA 0.453 56.451 56.400 -0.670 0.000 0.912 450 E CB -0.450 28.422 29.700 -1.380 0.000 0.907 450 E HN 0.521 nan 8.360 nan 0.000 0.494 451 I N 3.056 123.565 120.570 -0.102 0.000 2.118 451 I HA -0.342 3.849 4.170 0.035 0.000 0.241 451 I C 2.710 178.797 176.117 -0.051 0.000 1.070 451 I CA 2.356 63.649 61.300 -0.011 0.000 1.327 451 I CB -0.548 37.520 38.000 0.113 0.000 1.034 451 I HN 0.229 nan 8.210 nan 0.000 0.405 452 E N 0.934 121.038 120.200 -0.159 0.000 2.209 452 E HA -0.245 4.126 4.350 0.035 0.000 0.196 452 E C 2.048 178.371 176.600 -0.461 0.000 0.993 452 E CA 1.546 57.753 56.400 -0.321 0.000 0.819 452 E CB -0.536 28.933 29.700 -0.385 0.000 0.745 452 E HN 0.449 nan 8.360 nan 0.000 0.477 453 F N 1.216 121.035 119.950 -0.218 0.000 2.187 453 F HA -0.021 4.528 4.527 0.036 0.000 0.295 453 F C 2.333 177.885 175.800 -0.413 0.000 1.091 453 F CA 0.517 58.334 58.000 -0.305 0.000 1.308 453 F CB -0.135 38.758 39.000 -0.177 0.000 1.030 453 F HN -0.024 nan 8.300 nan 0.000 0.487 454 I N -0.899 119.485 120.570 -0.310 0.000 2.286 454 I HA -0.272 3.919 4.170 0.035 0.000 0.248 454 I C 2.122 177.952 176.117 -0.478 0.000 1.115 454 I CA 1.586 62.529 61.300 -0.595 0.000 1.392 454 I CB -1.432 36.067 38.000 -0.836 0.000 1.065 454 I HN 0.080 nan 8.210 nan 0.000 0.418 455 F N 0.977 120.731 119.950 -0.326 0.000 2.661 455 F HA 0.159 4.707 4.527 0.035 0.000 0.298 455 F C 1.915 177.589 175.800 -0.210 0.000 1.137 455 F CA 0.941 58.802 58.000 -0.231 0.000 1.454 455 F CB -0.272 38.579 39.000 -0.248 0.000 1.103 455 F HN 0.300 nan 8.300 nan 0.000 0.577 456 G N -0.136 108.513 108.800 -0.253 0.000 2.136 456 G HA2 -0.294 3.688 3.960 0.035 0.000 0.242 456 G HA3 -0.294 3.688 3.960 0.035 0.000 0.242 456 G C 0.977 175.275 174.900 -1.004 0.000 0.989 456 G CA 0.299 45.121 45.100 -0.463 0.000 0.682 456 G HN 0.281 nan 8.290 nan 0.000 0.522 457 L N 0.545 121.244 121.223 -0.873 0.000 2.081 457 L HA 0.017 4.379 4.340 0.035 0.000 0.212 457 L C 0.445 176.861 176.870 -0.758 0.000 1.080 457 L CA 2.824 57.113 54.840 -0.917 0.000 0.754 457 L CB -0.996 40.810 42.059 -0.422 0.000 0.893 457 L HN 0.214 nan 8.230 nan 0.000 0.433 458 P HA -0.154 nan 4.420 nan 0.000 0.223 458 P C 1.458 178.584 177.300 -0.289 0.000 1.144 458 P CA 0.875 63.566 63.100 -0.681 0.000 0.783 458 P CB 0.039 31.259 31.700 -0.800 0.000 0.771 459 L N -1.396 119.577 121.223 -0.416 0.000 2.551 459 L HA 0.005 4.366 4.340 0.035 0.000 0.228 459 L C 0.881 177.700 176.870 -0.086 0.000 1.153 459 L CA 1.087 55.794 54.840 -0.223 0.000 0.851 459 L CB -1.000 40.931 42.059 -0.213 0.000 0.959 459 L HN -0.050 nan 8.230 nan 0.000 0.451 460 D N -0.384 119.954 120.400 -0.104 0.000 2.380 460 D HA 0.126 4.787 4.640 0.035 0.000 0.230 460 D C -1.642 174.697 176.300 0.064 0.000 1.154 460 D CA -2.055 51.992 54.000 0.078 0.000 0.859 460 D CB 1.726 42.620 40.800 0.157 0.000 1.045 460 D HN -0.051 nan 8.370 nan 0.000 0.495 461 P HA -0.191 nan 4.420 nan 0.000 0.217 461 P C 1.331 178.651 177.300 0.033 0.000 1.151 461 P CA 1.312 64.439 63.100 0.046 0.000 0.849 461 P CB 0.114 31.836 31.700 0.037 0.000 0.787 462 S N -1.320 114.397 115.700 0.028 0.000 2.507 462 S HA -0.064 4.427 4.470 0.035 0.000 0.235 462 S C 1.651 176.239 174.600 -0.021 0.000 0.988 462 S CA 0.767 58.969 58.200 0.004 0.000 0.944 462 S CB -1.393 61.810 63.200 0.005 0.000 0.762 462 S HN 0.121 nan 8.310 nan 0.000 0.526 463 L N 0.755 121.974 121.223 -0.006 0.000 2.558 463 L HA 0.173 4.534 4.340 0.035 0.000 0.225 463 L C 0.133 176.878 176.870 -0.208 0.000 1.128 463 L CA -0.099 54.692 54.840 -0.081 0.000 0.868 463 L CB -0.726 41.344 42.059 0.019 0.000 1.006 463 L HN 0.239 nan 8.230 nan 0.000 0.454 464 N N -1.028 117.614 118.700 -0.096 0.000 2.754 464 N HA -0.233 4.528 4.740 0.035 0.000 0.248 464 N C -0.640 174.799 175.510 -0.117 0.000 1.093 464 N CA 0.863 53.852 53.050 -0.101 0.000 0.699 464 N CB -1.777 36.634 38.487 -0.126 0.000 1.016 464 N HN 0.287 nan 8.380 nan 0.000 0.552 465 Y N 0.536 120.835 120.300 -0.000 0.000 2.316 465 Y HA 0.278 4.849 4.550 0.035 0.000 0.324 465 Y C 1.817 177.752 175.900 0.057 0.000 1.267 465 Y CA -0.182 57.945 58.100 0.045 0.000 1.311 465 Y CB 0.639 39.124 38.460 0.041 0.000 1.267 465 Y HN 0.099 nan 8.280 nan 0.000 0.516 466 T N -2.669 112.049 114.554 0.274 0.000 2.813 466 T HA 0.031 4.402 4.350 0.035 0.000 0.297 466 T C 1.130 175.911 174.700 0.135 0.000 1.036 466 T CA -0.268 61.929 62.100 0.162 0.000 1.044 466 T CB 0.793 69.744 68.868 0.138 0.000 0.993 466 T HN 0.727 nan 8.240 nan 0.000 0.535 467 T N 1.319 115.921 114.554 0.080 0.000 2.759 467 T HA -0.093 4.278 4.350 0.035 0.000 0.269 467 T C 1.807 176.534 174.700 0.045 0.000 1.042 467 T CA 1.871 64.003 62.100 0.054 0.000 1.140 467 T CB -0.394 68.493 68.868 0.032 0.000 0.864 467 T HN 0.773 nan 8.240 nan 0.000 0.455 468 E N 1.075 121.293 120.200 0.031 0.000 2.051 468 E HA -0.104 4.267 4.350 0.035 0.000 0.192 468 E C 2.310 178.920 176.600 0.017 0.000 0.991 468 E CA 1.054 57.446 56.400 -0.013 0.000 0.799 468 E CB -0.127 29.529 29.700 -0.074 0.000 0.748 468 E HN 0.563 nan 8.360 nan 0.000 0.449 469 E N 0.280 120.533 120.200 0.089 0.000 2.118 469 E HA -0.203 4.168 4.350 0.035 0.000 0.195 469 E C 2.131 178.858 176.600 0.212 0.000 0.992 469 E CA 0.594 57.139 56.400 0.242 0.000 0.804 469 E CB -0.042 29.934 29.700 0.460 0.000 0.741 469 E HN 0.044 nan 8.360 nan 0.000 0.458 470 R N 1.044 121.607 120.500 0.105 0.000 2.115 470 R HA -0.076 4.285 4.340 0.035 0.000 0.230 470 R C 2.061 178.374 176.300 0.022 0.000 1.111 470 R CA 0.846 56.960 56.100 0.023 0.000 0.976 470 R CB -0.143 30.167 30.300 0.016 0.000 0.870 470 R HN 0.240 nan 8.270 nan 0.000 0.445 471 I N 0.192 120.790 120.570 0.047 0.000 2.406 471 I HA -0.229 3.962 4.170 0.035 0.000 0.249 471 I C 2.176 178.338 176.117 0.075 0.000 1.122 471 I CA 0.570 61.889 61.300 0.033 0.000 1.431 471 I CB -0.375 37.637 38.000 0.020 0.000 1.087 471 I HN 0.059 nan 8.210 nan 0.000 0.424 472 F N 2.358 122.251 119.950 -0.095 0.000 2.069 472 F HA -0.239 4.310 4.527 0.037 0.000 0.298 472 F C 2.510 178.269 175.800 -0.069 0.000 1.113 472 F CA 1.420 59.346 58.000 -0.124 0.000 1.214 472 F CB -0.745 38.119 39.000 -0.225 0.000 0.978 472 F HN 0.013 nan 8.300 nan 0.000 0.474 473 A N 0.009 122.799 122.820 -0.050 0.000 1.908 473 A HA -0.257 4.084 4.320 0.035 0.000 0.218 473 A C 2.158 179.623 177.584 -0.199 0.000 1.181 473 A CA 1.906 53.840 52.037 -0.172 0.000 0.627 473 A CB -0.923 18.001 19.000 -0.127 0.000 0.818 473 A HN 0.634 nan 8.150 nan 0.000 0.445 474 Q N -0.809 118.914 119.800 -0.128 0.000 2.124 474 Q HA -0.168 4.193 4.340 0.035 0.000 0.202 474 Q C 2.363 178.261 176.000 -0.169 0.000 0.977 474 Q CA 1.431 57.162 55.803 -0.121 0.000 0.850 474 Q CB -0.175 28.520 28.738 -0.071 0.000 0.901 474 Q HN 0.644 nan 8.270 nan 0.000 0.429 475 R N 0.391 120.775 120.500 -0.193 0.000 2.070 475 R HA -0.120 4.241 4.340 0.035 0.000 0.233 475 R C 2.381 178.370 176.300 -0.517 0.000 1.137 475 R CA 1.246 57.142 56.100 -0.340 0.000 0.945 475 R CB -0.438 29.727 30.300 -0.224 0.000 0.845 475 R HN 0.231 nan 8.270 nan 0.000 0.430 476 L N 0.272 121.272 121.223 -0.372 0.000 2.012 476 L HA -0.217 4.144 4.340 0.035 0.000 0.210 476 L C 2.638 179.441 176.870 -0.113 0.000 1.073 476 L CA 1.458 56.172 54.840 -0.211 0.000 0.748 476 L CB -0.437 41.361 42.059 -0.435 0.000 0.891 476 L HN 0.266 nan 8.230 nan 0.000 0.431 477 M N -0.793 118.689 119.600 -0.196 0.000 2.149 477 M HA -0.211 4.290 4.480 0.035 0.000 0.261 477 M C 2.348 178.644 176.300 -0.007 0.000 1.064 477 M CA 1.548 56.773 55.300 -0.125 0.000 1.102 477 M CB -0.322 32.198 32.600 -0.134 0.000 1.369 477 M HN 0.091 nan 8.290 nan 0.000 0.408 478 K N -0.096 120.268 120.400 -0.061 0.000 2.026 478 K HA -0.134 4.207 4.320 0.035 0.000 0.208 478 K C 1.866 178.543 176.600 0.128 0.000 1.048 478 K CA 1.674 57.947 56.287 -0.024 0.000 0.929 478 K CB -0.509 31.911 32.500 -0.132 0.000 0.713 478 K HN 0.308 nan 8.250 nan 0.000 0.439 479 Y N -0.123 120.306 120.300 0.215 0.000 2.097 479 Y HA -0.249 4.322 4.550 0.035 0.000 0.282 479 Y C 2.492 178.542 175.900 0.250 0.000 1.152 479 Y CA 0.776 59.043 58.100 0.278 0.000 1.136 479 Y CB -0.958 37.810 38.460 0.514 0.000 0.975 479 Y HN 0.231 nan 8.280 nan 0.000 0.498 480 W N 0.575 121.956 121.300 0.134 0.000 2.355 480 W HA -0.237 4.444 4.660 0.034 0.000 0.309 480 W C 2.476 178.999 176.519 0.006 0.000 1.206 480 W CA 2.203 59.559 57.345 0.018 0.000 1.284 480 W CB -0.647 28.739 29.460 -0.122 0.000 1.145 480 W HN 0.238 nan 8.180 nan 0.000 0.502 481 T N -2.241 112.430 114.554 0.195 0.000 2.904 481 T HA -0.127 4.244 4.350 0.035 0.000 0.267 481 T C 1.440 176.175 174.700 0.057 0.000 1.059 481 T CA 1.072 63.217 62.100 0.076 0.000 1.137 481 T CB -0.570 68.322 68.868 0.040 0.000 0.879 481 T HN -0.048 nan 8.240 nan 0.000 0.467 482 N N 0.943 119.698 118.700 0.091 0.000 2.084 482 N HA -0.002 4.759 4.740 0.035 0.000 0.190 482 N C 1.420 176.929 175.510 -0.000 0.000 1.030 482 N CA 1.017 54.096 53.050 0.049 0.000 0.849 482 N CB -0.636 37.903 38.487 0.087 0.000 1.012 482 N HN 0.451 nan 8.380 nan 0.000 0.423 483 F N 1.780 121.648 119.950 -0.138 0.000 2.126 483 F HA -0.120 4.428 4.527 0.036 0.000 0.299 483 F C 2.166 177.881 175.800 -0.142 0.000 1.096 483 F CA 1.371 59.233 58.000 -0.229 0.000 1.255 483 F CB -0.359 38.412 39.000 -0.381 0.000 0.997 483 F HN 0.030 nan 8.300 nan 0.000 0.479 484 A N 0.327 123.074 122.820 -0.123 0.000 1.930 484 A HA -0.132 4.209 4.320 0.035 0.000 0.217 484 A C 2.370 179.850 177.584 -0.172 0.000 1.175 484 A CA 1.472 53.410 52.037 -0.164 0.000 0.627 484 A CB -0.648 18.326 19.000 -0.042 0.000 0.815 484 A HN 0.428 nan 8.150 nan 0.000 0.443 485 R N -1.044 119.384 120.500 -0.119 0.000 2.075 485 R HA -0.080 4.281 4.340 0.035 0.000 0.232 485 R C 1.973 178.193 176.300 -0.132 0.000 1.126 485 R CA 1.874 57.918 56.100 -0.094 0.000 0.963 485 R CB -0.160 30.110 30.300 -0.050 0.000 0.858 485 R HN 0.719 nan 8.270 nan 0.000 0.435 486 T N -5.638 108.811 114.554 -0.175 0.000 3.016 486 T HA 0.244 4.615 4.350 0.035 0.000 0.271 486 T C 1.101 175.660 174.700 -0.234 0.000 0.968 486 T CA 0.405 62.407 62.100 -0.163 0.000 0.891 486 T CB 1.410 70.221 68.868 -0.096 0.000 1.149 486 T HN 0.325 nan 8.240 nan 0.000 0.524 487 G N 1.261 109.782 108.800 -0.465 0.000 2.143 487 G HA2 -0.160 3.821 3.960 0.035 0.000 0.249 487 G HA3 -0.160 3.821 3.960 0.035 0.000 0.249 487 G C -0.379 174.396 174.900 -0.208 0.000 0.981 487 G CA 0.159 44.895 45.100 -0.608 0.000 0.665 487 G HN 0.790 nan 8.290 nan 0.000 0.528 488 D N -0.547 119.745 120.400 -0.180 0.000 2.736 488 D HA 0.442 5.103 4.640 0.035 0.000 0.243 488 D C -1.262 174.886 176.300 -0.252 0.000 1.304 488 D CA -1.536 52.333 54.000 -0.218 0.000 0.934 488 D CB 2.176 42.942 40.800 -0.057 0.000 1.382 488 D HN 0.005 nan 8.370 nan 0.000 0.571 489 P HA -0.067 nan 4.420 nan 0.000 0.226 489 P C 0.049 177.361 177.300 0.020 0.000 1.153 489 P CA 0.185 63.115 63.100 -0.283 0.000 0.777 489 P CB 0.414 31.643 31.700 -0.785 0.000 0.794 490 N N 1.636 120.317 118.700 -0.031 0.000 2.508 490 N HA 0.007 4.768 4.740 0.035 0.000 0.264 490 N C 0.103 175.686 175.510 0.122 0.000 1.216 490 N CA 0.296 53.425 53.050 0.133 0.000 0.943 490 N CB 0.406 38.962 38.487 0.116 0.000 1.113 490 N HN 0.007 nan 8.380 nan 0.000 0.447 491 D N 2.042 122.533 120.400 0.153 0.000 2.344 491 D HA 0.112 4.773 4.640 0.035 0.000 0.253 491 D C -1.377 174.967 176.300 0.075 0.000 1.255 491 D CA -1.740 52.321 54.000 0.102 0.000 0.894 491 D CB 0.930 41.788 40.800 0.096 0.000 1.067 491 D HN 0.254 nan 8.370 nan 0.000 0.492 492 P HA -0.144 nan 4.420 nan 0.000 0.218 492 P C -0.268 177.056 177.300 0.039 0.000 1.152 492 P CA 1.238 64.362 63.100 0.040 0.000 0.857 492 P CB 0.271 31.986 31.700 0.026 0.000 0.787 493 R N -0.232 120.291 120.500 0.039 0.000 2.473 493 R HA 0.511 4.872 4.340 0.035 0.000 0.303 493 R C -1.253 175.071 176.300 0.040 0.000 1.002 493 R CA -0.477 55.644 56.100 0.035 0.000 0.884 493 R CB 1.304 31.620 30.300 0.027 0.000 1.173 493 R HN -0.045 nan 8.270 nan 0.000 0.464 494 D N 1.357 121.783 120.400 0.043 0.000 2.194 494 D HA 0.004 4.665 4.640 0.035 0.000 0.136 494 D C -0.636 175.694 176.300 0.051 0.000 0.961 494 D CA -0.044 53.984 54.000 0.046 0.000 1.080 494 D CB 0.221 41.054 40.800 0.056 0.000 3.935 494 D HN 0.529 nan 8.370 nan 0.000 0.561 495 S N 3.734 119.460 115.700 0.044 0.000 2.622 495 S HA 0.326 4.817 4.470 0.035 0.000 0.236 495 S C 0.602 175.230 174.600 0.046 0.000 0.956 495 S CA 0.022 58.249 58.200 0.044 0.000 0.971 495 S CB 0.165 63.386 63.200 0.035 0.000 0.782 495 S HN 0.318 nan 8.310 nan 0.000 0.468 496 K N 0.649 121.081 120.400 0.053 0.000 2.618 496 K HA 0.236 4.577 4.320 0.035 0.000 0.322 496 K C -0.226 176.411 176.600 0.062 0.000 1.267 496 K CA -0.061 56.258 56.287 0.053 0.000 1.083 496 K CB 0.499 33.023 32.500 0.040 0.000 1.386 496 K HN 0.175 nan 8.250 nan 0.000 0.509 497 S N 1.652 117.400 115.700 0.080 0.000 2.310 497 S HA 0.118 4.609 4.470 0.035 0.000 0.201 497 S C -1.488 173.166 174.600 0.091 0.000 1.032 497 S CA 0.296 58.557 58.200 0.102 0.000 0.993 497 S CB -0.608 62.677 63.200 0.142 0.000 0.970 497 S HN 0.616 nan 8.310 nan 0.000 0.446 498 P HA 0.188 nan 4.420 nan 0.000 0.272 498 P C -0.861 176.513 177.300 0.122 0.000 1.230 498 P CA -0.055 63.095 63.100 0.083 0.000 0.788 498 P CB 0.372 32.103 31.700 0.052 0.000 0.949 499 Q N 0.374 120.252 119.800 0.131 0.000 2.373 499 Q HA 0.086 4.447 4.340 0.035 0.000 0.255 499 Q C -0.421 175.726 176.000 0.246 0.000 0.980 499 Q CA 0.250 56.165 55.803 0.186 0.000 0.882 499 Q CB 0.614 29.450 28.738 0.163 0.000 1.249 499 Q HN 0.575 nan 8.270 nan 0.000 0.438 500 W N 6.373 127.721 121.300 0.080 0.000 2.357 500 W HA 0.293 4.976 4.660 0.037 0.000 0.317 500 W C -2.436 174.209 176.519 0.210 0.000 1.101 500 W CA -2.549 54.852 57.345 0.092 0.000 1.380 500 W CB 0.436 29.889 29.460 -0.011 0.000 1.266 500 W HN 0.389 nan 8.180 nan 0.000 0.419 501 P HA 0.270 nan 4.420 nan 0.000 0.278 501 P C -2.616 174.890 177.300 0.344 0.000 1.238 501 P CA -1.613 61.711 63.100 0.373 0.000 0.794 501 P CB 1.170 32.998 31.700 0.215 0.000 0.955 502 P HA 0.067 nan 4.420 nan 0.000 0.269 502 P C -0.720 176.559 177.300 -0.035 0.000 1.215 502 P CA 0.245 63.138 63.100 -0.345 0.000 0.780 502 P CB 0.085 31.573 31.700 -0.352 0.000 0.898 503 Y N 2.197 122.415 120.300 -0.137 0.000 2.316 503 Y HA 0.462 5.033 4.550 0.035 0.000 0.331 503 Y C 0.131 176.015 175.900 -0.026 0.000 1.083 503 Y CA 0.258 58.360 58.100 0.004 0.000 1.206 503 Y CB 0.563 39.047 38.460 0.040 0.000 1.195 503 Y HN 0.406 nan 8.280 nan 0.000 0.497 504 T N 0.036 114.293 114.554 -0.495 0.000 2.883 504 T HA 0.245 4.616 4.350 0.035 0.000 0.296 504 T C 0.790 175.241 174.700 -0.415 0.000 1.117 504 T CA -0.209 61.718 62.100 -0.288 0.000 1.006 504 T CB 1.226 70.002 68.868 -0.153 0.000 1.191 504 T HN 0.651 nan 8.240 nan 0.000 0.508 505 T N -0.805 113.655 114.554 -0.157 0.000 2.867 505 T HA 0.045 4.417 4.350 0.035 0.000 0.268 505 T C 2.198 176.840 174.700 -0.097 0.000 1.057 505 T CA 0.921 62.966 62.100 -0.092 0.000 1.136 505 T CB -0.753 68.118 68.868 0.006 0.000 0.874 505 T HN 0.865 nan 8.240 nan 0.000 0.466 506 A N 2.099 124.865 122.820 -0.091 0.000 1.832 506 A HA 0.452 4.793 4.320 0.035 0.000 0.214 506 A C 2.751 180.289 177.584 -0.076 0.000 1.200 506 A CA 1.675 53.675 52.037 -0.061 0.000 0.610 506 A CB -1.363 17.610 19.000 -0.044 0.000 0.842 506 A HN 0.712 nan 8.150 nan 0.000 0.444 507 A N -2.090 120.666 122.820 -0.107 0.000 2.081 507 A HA 0.197 4.538 4.320 0.035 0.000 0.214 507 A C 0.986 178.496 177.584 -0.123 0.000 1.158 507 A CA 0.926 52.910 52.037 -0.087 0.000 0.724 507 A CB -0.384 18.579 19.000 -0.062 0.000 0.826 507 A HN 0.608 nan 8.150 nan 0.000 0.463 508 Q N -0.261 119.351 119.800 -0.314 0.000 2.435 508 Q HA -0.225 4.136 4.340 0.035 0.000 0.312 508 Q C -0.759 175.211 176.000 -0.050 0.000 1.333 508 Q CA 0.672 56.193 55.803 -0.470 0.000 0.883 508 Q CB -1.723 26.944 28.738 -0.117 0.000 1.170 508 Q HN 0.833 nan 8.270 nan 0.000 0.443 509 Q N 0.464 120.245 119.800 -0.032 0.000 2.288 509 Q HA 0.482 4.843 4.340 0.035 0.000 0.254 509 Q C -0.415 175.856 176.000 0.453 0.000 0.932 509 Q CA -0.072 55.833 55.803 0.170 0.000 0.902 509 Q CB 0.617 29.408 28.738 0.087 0.000 1.203 509 Q HN 0.348 nan 8.270 nan 0.000 0.415 510 Y N -1.554 118.888 120.300 0.236 0.000 2.625 510 Y HA 0.716 5.286 4.550 0.034 0.000 0.338 510 Y C -1.051 174.883 175.900 0.056 0.000 1.123 510 Y CA -1.547 56.706 58.100 0.254 0.000 1.046 510 Y CB 0.562 39.172 38.460 0.250 0.000 1.299 510 Y HN 0.359 nan 8.280 nan 0.000 0.464 511 V N -0.242 119.615 119.914 -0.094 0.000 2.815 511 V HA 0.864 5.005 4.120 0.035 0.000 0.314 511 V C -0.252 175.755 176.094 -0.146 0.000 1.064 511 V CA -0.519 61.557 62.300 -0.374 0.000 0.952 511 V CB 1.346 32.646 31.823 -0.872 0.000 1.020 511 V HN 1.202 nan 8.190 nan 0.000 0.439 512 S N 3.778 119.392 115.700 -0.144 0.000 2.480 512 S HA 0.712 5.203 4.470 0.035 0.000 0.286 512 S C -0.538 174.037 174.600 -0.041 0.000 1.180 512 S CA -0.680 57.516 58.200 -0.006 0.000 1.075 512 S CB 0.688 63.876 63.200 -0.021 0.000 0.996 512 S HN 0.775 nan 8.310 nan 0.000 0.487 513 L N 4.253 125.503 121.223 0.045 0.000 2.276 513 L HA 0.529 4.890 4.340 0.035 0.000 0.286 513 L C -0.207 176.610 176.870 -0.089 0.000 1.024 513 L CA -0.395 54.494 54.840 0.082 0.000 0.826 513 L CB 0.189 42.378 42.059 0.217 0.000 1.211 513 L HN 0.955 nan 8.230 nan 0.000 0.422 514 N N 2.176 120.742 118.700 -0.223 0.000 3.449 514 N HA 0.307 5.068 4.740 0.035 0.000 0.312 514 N C 0.162 175.059 175.510 -1.020 0.000 1.582 514 N CA -0.950 51.678 53.050 -0.704 0.000 0.850 514 N CB 0.571 38.823 38.487 -0.391 0.000 1.822 514 N HN 0.202 nan 8.380 nan 0.000 0.577 515 L N -0.810 119.825 121.223 -0.980 0.000 2.275 515 L HA 0.072 4.433 4.340 0.035 0.000 0.215 515 L C 0.681 177.324 176.870 -0.379 0.000 1.119 515 L CA 0.962 55.341 54.840 -0.769 0.000 0.790 515 L CB -0.476 41.214 42.059 -0.615 0.000 0.919 515 L HN 0.367 nan 8.230 nan 0.000 0.443 516 K N 0.186 120.417 120.400 -0.282 0.000 2.107 516 K HA 0.265 4.606 4.320 0.035 0.000 0.251 516 K C -2.136 174.404 176.600 -0.100 0.000 1.012 516 K CA -1.887 54.308 56.287 -0.154 0.000 0.920 516 K CB 0.084 32.511 32.500 -0.121 0.000 1.033 516 K HN -0.215 nan 8.250 nan 0.000 0.478 517 P HA -0.034 nan 4.420 nan 0.000 0.269 517 P C -0.302 176.994 177.300 -0.007 0.000 1.217 517 P CA -0.066 63.033 63.100 -0.002 0.000 0.783 517 P CB 0.386 32.088 31.700 0.003 0.000 0.898 518 L N 1.265 122.505 121.223 0.028 0.000 2.573 518 L HA -0.040 4.321 4.340 0.035 0.000 0.290 518 L C 1.062 177.891 176.870 -0.068 0.000 1.247 518 L CA 0.945 55.761 54.840 -0.039 0.000 0.876 518 L CB -0.164 41.865 42.059 -0.048 0.000 1.123 518 L HN 0.500 nan 8.230 nan 0.000 0.505 519 E N 2.522 122.652 120.200 -0.118 0.000 2.246 519 E HA 0.393 4.764 4.350 0.035 0.000 0.266 519 E C -1.501 174.995 176.600 -0.174 0.000 0.880 519 E CA -0.740 55.592 56.400 -0.112 0.000 0.762 519 E CB 2.090 31.733 29.700 -0.096 0.000 1.180 519 E HN 0.286 nan 8.360 nan 0.000 0.416 520 V N 4.839 124.665 119.914 -0.148 0.000 2.498 520 V HA 0.445 4.586 4.120 0.035 0.000 0.279 520 V C 0.328 176.276 176.094 -0.243 0.000 1.048 520 V CA -0.191 61.998 62.300 -0.185 0.000 0.967 520 V CB 1.101 32.873 31.823 -0.084 0.000 0.988 520 V HN 0.681 nan 8.190 nan 0.000 0.473 521 R N 3.755 123.985 120.500 -0.450 0.000 2.912 521 R HA 0.747 5.108 4.340 0.035 0.000 0.262 521 R C -0.953 175.130 176.300 -0.362 0.000 1.057 521 R CA -1.075 54.739 56.100 -0.477 0.000 0.981 521 R CB 2.524 32.388 30.300 -0.726 0.000 1.201 521 R HN 0.581 nan 8.270 nan 0.000 0.484 522 R N -0.165 120.302 120.500 -0.056 0.000 2.621 522 R HA 0.491 4.852 4.340 0.035 0.000 0.292 522 R C -0.803 175.680 176.300 0.305 0.000 0.969 522 R CA -0.514 55.668 56.100 0.135 0.000 0.887 522 R CB 2.241 32.577 30.300 0.060 0.000 1.180 522 R HN 0.894 nan 8.270 nan 0.000 0.450 523 G N 2.187 111.203 108.800 0.359 0.000 3.450 523 G HA2 -0.218 3.763 3.960 0.035 0.000 0.668 523 G HA3 -0.218 3.763 3.960 0.035 0.000 0.668 523 G C -1.104 173.976 174.900 0.301 0.000 0.941 523 G CA -0.843 44.428 45.100 0.285 0.000 0.766 523 G HN 0.392 nan 8.290 nan 0.000 0.451 524 L N 4.218 125.511 121.223 0.116 0.000 2.328 524 L HA 0.576 4.937 4.340 0.035 0.000 0.280 524 L C 1.516 178.391 176.870 0.009 0.000 1.111 524 L CA -0.432 54.315 54.840 -0.155 0.000 0.909 524 L CB -0.112 41.778 42.059 -0.282 0.000 1.277 524 L HN 0.702 nan 8.230 nan 0.000 0.433 525 R N 2.803 123.347 120.500 0.072 0.000 3.416 525 R HA -0.281 4.081 4.340 0.035 0.000 0.263 525 R C 1.341 177.730 176.300 0.148 0.000 1.053 525 R CA 0.722 56.899 56.100 0.128 0.000 0.705 525 R CB -2.255 28.127 30.300 0.137 0.000 1.124 525 R HN 0.797 nan 8.270 nan 0.000 0.444 526 A N 0.700 123.604 122.820 0.140 0.000 1.869 526 A HA -0.294 4.047 4.320 0.035 0.000 0.218 526 A C 2.085 179.756 177.584 0.145 0.000 1.203 526 A CA 1.633 53.753 52.037 0.139 0.000 0.638 526 A CB -0.175 18.901 19.000 0.128 0.000 0.831 526 A HN 0.413 nan 8.150 nan 0.000 0.450 527 Q N -0.902 118.981 119.800 0.139 0.000 2.020 527 Q HA -0.116 4.245 4.340 0.035 0.000 0.202 527 Q C 2.320 178.436 176.000 0.193 0.000 0.982 527 Q CA 2.116 58.005 55.803 0.144 0.000 0.838 527 Q CB -1.323 27.483 28.738 0.114 0.000 0.899 527 Q HN 0.675 nan 8.270 nan 0.000 0.423 528 T N 0.678 115.366 114.554 0.224 0.000 2.746 528 T HA -0.135 4.236 4.350 0.035 0.000 0.267 528 T C 2.009 176.926 174.700 0.361 0.000 1.039 528 T CA 1.272 63.533 62.100 0.268 0.000 1.142 528 T CB -0.303 68.757 68.868 0.320 0.000 0.866 528 T HN 0.324 nan 8.240 nan 0.000 0.444 529 c N 1.457 120.255 118.600 0.330 0.000 2.448 529 c HA 0.238 4.829 4.570 0.035 0.000 0.280 529 c C 3.091 177.348 174.090 0.278 0.000 1.398 529 c CA 0.015 56.552 56.329 0.348 0.000 1.774 529 c CB -1.399 41.242 42.510 0.219 0.000 1.888 529 c HN 0.640 nan 8.230 nan 0.000 0.519 530 A N 0.084 123.036 122.820 0.220 0.000 1.930 530 A HA -0.151 4.190 4.320 0.035 0.000 0.217 530 A C 1.844 179.543 177.584 0.191 0.000 1.175 530 A CA 1.371 53.514 52.037 0.177 0.000 0.627 530 A CB -0.733 18.355 19.000 0.147 0.000 0.815 530 A HN 0.528 nan 8.150 nan 0.000 0.443 531 F N -0.651 119.296 119.950 -0.006 0.000 2.069 531 F HA -0.188 4.362 4.527 0.039 0.000 0.298 531 F C 1.951 177.707 175.800 -0.073 0.000 1.113 531 F CA 1.723 59.634 58.000 -0.148 0.000 1.214 531 F CB -0.664 37.978 39.000 -0.597 0.000 0.978 531 F HN 0.387 nan 8.300 nan 0.000 0.474 532 W N 0.611 121.866 121.300 -0.074 0.000 2.379 532 W HA -0.141 4.540 4.660 0.034 0.000 0.307 532 W C 2.250 178.713 176.519 -0.094 0.000 1.200 532 W CA 1.073 58.331 57.345 -0.146 0.000 1.297 532 W CB -0.595 28.900 29.460 0.059 0.000 1.140 532 W HN -0.042 nan 8.180 nan 0.000 0.507 533 N N -0.338 118.493 118.700 0.220 0.000 2.416 533 N HA 0.016 4.777 4.740 0.035 0.000 0.177 533 N C 1.442 176.992 175.510 0.067 0.000 1.036 533 N CA 0.949 54.073 53.050 0.122 0.000 0.901 533 N CB -0.163 38.392 38.487 0.114 0.000 0.976 533 N HN 0.262 nan 8.380 nan 0.000 0.444 534 R N -1.463 119.080 120.500 0.072 0.000 2.243 534 R HA 0.230 4.591 4.340 0.035 0.000 0.193 534 R C 1.431 177.766 176.300 0.058 0.000 0.933 534 R CA -0.081 56.058 56.100 0.065 0.000 1.105 534 R CB -0.170 30.189 30.300 0.099 0.000 1.169 534 R HN 0.025 nan 8.270 nan 0.000 0.599 535 F N 1.723 121.612 119.950 -0.102 0.000 2.094 535 F HA 0.071 4.620 4.527 0.037 0.000 0.291 535 F C 1.824 177.495 175.800 -0.216 0.000 1.109 535 F CA 1.175 59.093 58.000 -0.138 0.000 1.221 535 F CB -0.261 38.670 39.000 -0.115 0.000 1.014 535 F HN -0.159 nan 8.300 nan 0.000 0.473 536 L N 0.389 121.331 121.223 -0.467 0.000 2.051 536 L HA -0.216 4.145 4.340 0.035 0.000 0.214 536 L C -0.525 176.130 176.870 -0.359 0.000 1.076 536 L CA 1.673 56.198 54.840 -0.524 0.000 0.758 536 L CB -2.054 39.726 42.059 -0.465 0.000 0.890 536 L HN 0.180 nan 8.230 nan 0.000 0.433 537 P HA -0.188 nan 4.420 nan 0.000 0.213 537 P C 1.418 178.597 177.300 -0.201 0.000 1.170 537 P CA 1.317 64.326 63.100 -0.151 0.000 0.898 537 P CB -0.024 31.625 31.700 -0.085 0.000 0.787 538 K N -0.987 119.274 120.400 -0.232 0.000 2.173 538 K HA -0.204 4.137 4.320 0.035 0.000 0.207 538 K C 1.955 178.369 176.600 -0.309 0.000 1.046 538 K CA 1.176 57.325 56.287 -0.230 0.000 0.929 538 K CB -0.881 31.494 32.500 -0.207 0.000 0.720 538 K HN 0.053 nan 8.250 nan 0.000 0.453 539 L N 1.288 122.212 121.223 -0.499 0.000 1.988 539 L HA -0.155 4.206 4.340 0.035 0.000 0.207 539 L C 1.899 178.626 176.870 -0.238 0.000 1.071 539 L CA 1.617 56.186 54.840 -0.452 0.000 0.744 539 L CB -0.483 41.213 42.059 -0.604 0.000 0.893 539 L HN 0.119 nan 8.230 nan 0.000 0.433 540 L N -0.324 120.779 121.223 -0.200 0.000 2.201 540 L HA -0.075 4.286 4.340 0.035 0.000 0.212 540 L C 1.350 178.165 176.870 -0.092 0.000 1.105 540 L CA 1.002 55.770 54.840 -0.120 0.000 0.775 540 L CB -0.935 41.067 42.059 -0.095 0.000 0.913 540 L HN 0.489 nan 8.230 nan 0.000 0.440 541 S N -0.511 115.129 115.700 -0.100 0.000 3.983 541 S HA 0.601 5.092 4.470 0.035 0.000 0.194 541 S C 0.430 174.989 174.600 -0.068 0.000 1.464 541 S CA 0.052 58.209 58.200 -0.072 0.000 1.021 541 S CB 0.524 63.684 63.200 -0.067 0.000 1.424 541 S HN 0.407 nan 8.310 nan 0.000 0.473 542 A N 0.967 123.750 122.820 -0.062 0.000 3.562 542 A HA 0.327 4.668 4.320 0.035 0.000 0.100 542 A C 0.619 178.175 177.584 -0.047 0.000 1.299 542 A CA 0.145 52.152 52.037 -0.049 0.000 1.191 542 A CB -1.261 17.708 19.000 -0.052 0.000 0.843 542 A HN 1.788 nan 8.150 nan 0.000 0.402 543 T N 0.000 114.518 114.554 -0.059 0.000 3.816 543 T HA 0.000 4.371 4.350 0.035 0.000 0.228 543 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 543 T CB 0.000 68.842 68.868 -0.044 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658