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 3n05_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLQLRLALNQ IDSTVGDIAG NAEAILRWTR HSAEQGAHLV AFPEMALTGY DATA SEQUENCE PVEDLALRSS FVEASRTALR ELAARLAEEG FGELPVLVGY LDRSESAQPK DATA SEQUENCE YGQPAGAPRN AAAVLHRGRV ALTFAKHHLP NYGVFDEFRY FVPGDTMPIV DATA SEQUENCE RLHGVDIALA ICEDLWQDGG RVPAARSAGA GLLLSVNASP YERDKDDTRL DATA SEQUENCE ELVRKRAQEA GCTTAYLAMI GGQDELVFDG DSIVVDRDGE VVARAPQFSE DATA SEQUENCE GCVVLDLDLP AAEAEPPTGV VDDGLRIDRL VISEEPLPAY EAELAGGYAD DATA SEQUENCE RLDADEEVYS ALVVGLRAYV AKNGFRSVLI GLSGGIDSAL VAAIACDALG DATA SEQUENCE AQNVYGVSMP SKYSSDHSKG DAAELARRTG LNFRTVSIEP MFDAYMASLG DATA SEQUENCE LTGLAEENLQ SRLRGTTLMA ISNQEGHIVL APGNKSELAV GYSTLYGDSV DATA SEQUENCE GAYGPIKDVY KTSIFRLAEW RNRAAAERGQ TPPIPEASIT KXXXXXXXXX DATA SEQUENCE XXXXXXXPDY PVLDAILELY VDRDTGADAI VAAGYDRELV VKTLRMVDTA DATA SEQUENCE EYKRRQYPPG TKISAKGFGK DRRLPITNRW REGH 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.586 174.600 -0.024 0.000 1.055 0 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 0 S CB 0.000 63.192 63.200 -0.014 0.000 0.593 1 L N 1.821 123.036 121.223 -0.014 0.000 2.483 1 L HA 0.308 4.648 4.340 -0.001 0.000 0.276 1 L C 0.601 177.462 176.870 -0.014 0.000 1.213 1 L CA -0.083 54.752 54.840 -0.009 0.000 0.843 1 L CB 0.126 42.190 42.059 0.007 0.000 1.107 1 L HN 0.798 nan 8.230 nan 0.000 0.487 2 Q N 2.363 122.157 119.800 -0.010 0.000 2.387 2 Q HA 0.828 5.168 4.340 -0.001 0.000 0.273 2 Q C -1.411 174.639 176.000 0.082 0.000 1.089 2 Q CA -1.028 54.770 55.803 -0.008 0.000 0.824 2 Q CB 2.843 31.486 28.738 -0.159 0.000 1.367 2 Q HN 0.322 nan 8.270 nan 0.000 0.443 3 L N 0.726 122.011 121.223 0.102 0.000 2.506 3 L HA 0.495 4.835 4.340 -0.001 0.000 0.257 3 L C -1.617 175.356 176.870 0.173 0.000 0.964 3 L CA -0.405 54.464 54.840 0.048 0.000 0.836 3 L CB 2.595 44.645 42.059 -0.015 0.000 1.384 3 L HN 0.832 nan 8.230 nan 0.000 0.410 4 R N 3.255 123.917 120.500 0.270 0.000 2.288 4 R HA 0.683 5.023 4.340 -0.001 0.000 0.326 4 R C -1.652 174.747 176.300 0.166 0.000 0.959 4 R CA -0.684 55.583 56.100 0.277 0.000 0.834 4 R CB 1.104 31.594 30.300 0.318 0.000 1.157 4 R HN 0.575 nan 8.270 nan 0.000 0.470 5 L N 3.888 125.162 121.223 0.085 0.000 2.307 5 L HA 0.647 4.986 4.340 -0.001 0.000 0.284 5 L C -1.075 175.799 176.870 0.006 0.000 1.023 5 L CA -0.189 54.670 54.840 0.031 0.000 0.810 5 L CB 1.728 43.792 42.059 0.009 0.000 1.231 5 L HN 0.728 nan 8.230 nan 0.000 0.423 6 A N 6.517 129.323 122.820 -0.023 0.000 2.271 6 A HA 0.735 5.055 4.320 -0.001 0.000 0.317 6 A C -1.128 176.385 177.584 -0.118 0.000 1.245 6 A CA -0.486 51.522 52.037 -0.048 0.000 0.857 6 A CB 0.348 19.325 19.000 -0.039 0.000 1.175 6 A HN 0.718 nan 8.150 nan 0.000 0.512 7 L N 3.320 124.467 121.223 -0.125 0.000 2.325 7 L HA 0.389 4.729 4.340 -0.001 0.000 0.281 7 L C -0.476 176.237 176.870 -0.261 0.000 1.004 7 L CA -0.624 54.100 54.840 -0.193 0.000 0.823 7 L CB 1.551 43.539 42.059 -0.118 0.000 1.236 7 L HN 0.608 nan 8.230 nan 0.000 0.415 8 N N 3.585 121.997 118.700 -0.481 0.000 2.609 8 N HA 0.079 4.819 4.740 -0.001 0.000 0.234 8 N C -0.623 174.535 175.510 -0.587 0.000 1.001 8 N CA -0.267 52.411 53.050 -0.619 0.000 0.926 8 N CB 1.817 39.712 38.487 -0.987 0.000 1.130 8 N HN 0.610 nan 8.380 nan 0.000 0.510 9 Q N 3.858 123.389 119.800 -0.448 0.000 2.534 9 Q HA 0.211 4.551 4.340 -0.001 0.000 0.223 9 Q C -0.111 175.641 176.000 -0.413 0.000 1.239 9 Q CA -0.222 55.390 55.803 -0.318 0.000 0.936 9 Q CB -0.209 28.425 28.738 -0.173 0.000 1.457 9 Q HN 0.658 nan 8.270 nan 0.000 0.547 10 I N -1.135 119.191 120.570 -0.407 0.000 3.217 10 I HA 0.654 4.824 4.170 -0.001 0.000 0.308 10 I C -0.800 175.220 176.117 -0.161 0.000 1.091 10 I CA -1.163 59.895 61.300 -0.403 0.000 1.013 10 I CB 1.955 39.617 38.000 -0.563 0.000 1.250 10 I HN 0.191 nan 8.210 nan 0.000 0.496 11 D N 1.819 122.174 120.400 -0.076 0.000 2.462 11 D HA 0.420 5.060 4.640 -0.001 0.000 0.245 11 D C -1.061 175.252 176.300 0.022 0.000 1.122 11 D CA -0.122 53.885 54.000 0.011 0.000 0.864 11 D CB 1.649 42.493 40.800 0.073 0.000 1.098 11 D HN 0.625 nan 8.370 nan 0.000 0.541 12 S N 1.677 117.382 115.700 0.009 0.000 2.672 12 S HA 0.636 5.106 4.470 -0.001 0.000 0.276 12 S C -0.203 174.434 174.600 0.063 0.000 1.207 12 S CA -0.527 57.687 58.200 0.023 0.000 1.002 12 S CB 1.388 64.586 63.200 -0.002 0.000 0.998 12 S HN 0.473 nan 8.310 nan 0.000 0.542 13 T N 1.643 116.236 114.554 0.064 0.000 2.812 13 T HA 0.323 4.672 4.350 -0.001 0.000 0.282 13 T C -0.313 174.438 174.700 0.084 0.000 0.990 13 T CA -0.458 61.688 62.100 0.076 0.000 0.960 13 T CB 1.141 70.046 68.868 0.062 0.000 0.948 13 T HN 0.335 nan 8.240 nan 0.000 0.438 14 V N 3.851 123.819 119.914 0.089 0.000 2.509 14 V HA 0.299 4.419 4.120 -0.001 0.000 0.297 14 V C 1.625 177.765 176.094 0.076 0.000 1.014 14 V CA 1.986 64.337 62.300 0.085 0.000 1.127 14 V CB 0.079 31.936 31.823 0.055 0.000 0.925 14 V HN 1.283 nan 8.190 nan 0.000 0.480 15 G N 4.726 113.621 108.800 0.158 0.000 2.267 15 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.257 15 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.257 15 G C 0.404 175.421 174.900 0.194 0.000 0.998 15 G CA 0.281 45.509 45.100 0.213 0.000 0.620 15 G HN 0.786 nan 8.290 nan 0.000 0.529 16 D N 1.148 121.618 120.400 0.117 0.000 2.608 16 D HA 0.422 5.061 4.640 -0.001 0.000 0.224 16 D C 1.848 178.186 176.300 0.063 0.000 1.123 16 D CA -0.298 53.747 54.000 0.075 0.000 1.030 16 D CB -0.699 40.132 40.800 0.050 0.000 1.093 16 D HN 0.415 nan 8.370 nan 0.000 0.497 17 I N 1.186 121.795 120.570 0.066 0.000 2.142 17 I HA -0.282 3.888 4.170 -0.001 0.000 0.240 17 I C 2.327 178.436 176.117 -0.013 0.000 1.078 17 I CA 1.122 62.428 61.300 0.010 0.000 1.343 17 I CB -0.143 37.832 38.000 -0.041 0.000 1.046 17 I HN 0.332 nan 8.210 nan 0.000 0.405 18 A N 0.842 123.658 122.820 -0.006 0.000 1.902 18 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 18 A C 2.421 180.001 177.584 -0.007 0.000 1.181 18 A CA 1.960 53.989 52.037 -0.013 0.000 0.623 18 A CB -1.457 17.539 19.000 -0.007 0.000 0.818 18 A HN 0.482 nan 8.150 nan 0.000 0.443 19 G N -0.147 108.657 108.800 0.007 0.000 2.422 19 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 19 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 19 G C 1.394 176.302 174.900 0.013 0.000 1.146 19 G CA 1.023 46.133 45.100 0.015 0.000 0.769 19 G HN 0.535 nan 8.290 nan 0.000 0.547 20 N N 1.324 120.024 118.700 0.001 0.000 2.142 20 N HA -0.060 4.680 4.740 -0.001 0.000 0.186 20 N C 2.505 177.974 175.510 -0.068 0.000 1.023 20 N CA 1.222 54.259 53.050 -0.023 0.000 0.852 20 N CB -0.511 37.961 38.487 -0.024 0.000 0.998 20 N HN 0.305 nan 8.380 nan 0.000 0.424 21 A N 1.043 123.822 122.820 -0.068 0.000 1.933 21 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 21 A C 2.221 179.763 177.584 -0.069 0.000 1.175 21 A CA 1.539 53.520 52.037 -0.094 0.000 0.628 21 A CB -0.521 18.434 19.000 -0.075 0.000 0.814 21 A HN 0.230 nan 8.150 nan 0.000 0.444 22 E N -0.123 120.062 120.200 -0.025 0.000 2.051 22 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 22 E C 2.158 178.780 176.600 0.037 0.000 0.991 22 E CA 1.454 57.858 56.400 0.007 0.000 0.799 22 E CB -0.367 29.344 29.700 0.019 0.000 0.748 22 E HN 0.533 nan 8.360 nan 0.000 0.449 23 A N 0.187 123.041 122.820 0.057 0.000 1.933 23 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 23 A C 2.237 179.941 177.584 0.198 0.000 1.175 23 A CA 1.304 53.446 52.037 0.176 0.000 0.628 23 A CB -0.634 18.476 19.000 0.183 0.000 0.814 23 A HN 0.293 nan 8.150 nan 0.000 0.444 24 I N -0.904 119.603 120.570 -0.106 0.000 2.179 24 I HA -0.250 3.919 4.170 -0.001 0.000 0.242 24 I C 2.445 178.469 176.117 -0.156 0.000 1.088 24 I CA 1.344 62.343 61.300 -0.503 0.000 1.357 24 I CB -0.264 37.263 38.000 -0.789 0.000 1.051 24 I HN 0.410 nan 8.210 nan 0.000 0.409 25 L N 1.035 122.222 121.223 -0.060 0.000 2.012 25 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 25 L C 2.702 179.625 176.870 0.089 0.000 1.073 25 L CA 1.837 56.693 54.840 0.026 0.000 0.748 25 L CB -0.512 41.570 42.059 0.038 0.000 0.891 25 L HN 0.105 nan 8.230 nan 0.000 0.431 26 R N -1.646 118.920 120.500 0.111 0.000 2.096 26 R HA -0.226 4.113 4.340 -0.001 0.000 0.235 26 R C 2.022 178.373 176.300 0.085 0.000 1.127 26 R CA 2.118 58.267 56.100 0.081 0.000 0.968 26 R CB -0.579 29.748 30.300 0.046 0.000 0.861 26 R HN 0.494 nan 8.270 nan 0.000 0.440 27 W N 0.036 121.407 121.300 0.119 0.000 2.518 27 W HA 0.062 4.722 4.660 -0.001 0.000 0.273 27 W C 2.184 178.806 176.519 0.171 0.000 1.247 27 W CA 1.139 58.587 57.345 0.172 0.000 1.288 27 W CB -0.040 29.603 29.460 0.304 0.000 1.107 27 W HN 0.066 nan 8.180 nan 0.000 0.586 28 T N -0.314 114.446 114.554 0.343 0.000 2.737 28 T HA -0.181 4.168 4.350 -0.001 0.000 0.265 28 T C 1.821 176.369 174.700 -0.254 0.000 1.038 28 T CA 1.267 63.401 62.100 0.057 0.000 1.144 28 T CB -0.251 68.589 68.868 -0.047 0.000 0.866 28 T HN 0.079 nan 8.240 nan 0.000 0.434 29 R N 0.150 120.505 120.500 -0.242 0.000 2.091 29 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 29 R C 2.465 178.746 176.300 -0.033 0.000 1.136 29 R CA 1.436 57.438 56.100 -0.164 0.000 0.959 29 R CB -0.369 29.997 30.300 0.110 0.000 0.856 29 R HN 0.456 nan 8.270 nan 0.000 0.437 30 H N -0.304 118.720 119.070 -0.076 0.000 2.456 30 H HA -0.006 4.550 4.556 -0.001 0.000 0.296 30 H C 1.621 176.921 175.328 -0.046 0.000 1.079 30 H CA 1.783 57.783 56.048 -0.081 0.000 1.322 30 H CB 0.346 30.003 29.762 -0.175 0.000 1.388 30 H HN 0.213 nan 8.280 nan 0.000 0.538 31 S N -0.095 115.672 115.700 0.112 0.000 2.388 31 S HA 0.043 4.513 4.470 -0.001 0.000 0.223 31 S C 2.432 177.010 174.600 -0.036 0.000 1.034 31 S CA 0.555 58.789 58.200 0.056 0.000 0.963 31 S CB -0.123 63.096 63.200 0.032 0.000 0.827 31 S HN 0.555 nan 8.310 nan 0.000 0.481 32 A N 1.813 124.574 122.820 -0.098 0.000 1.972 32 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 32 A C 1.901 179.470 177.584 -0.025 0.000 1.169 32 A CA 1.321 53.315 52.037 -0.072 0.000 0.635 32 A CB -0.530 18.425 19.000 -0.076 0.000 0.810 32 A HN 0.522 nan 8.150 nan 0.000 0.446 33 E N -0.505 119.674 120.200 -0.034 0.000 2.209 33 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 33 E C 1.653 178.212 176.600 -0.068 0.000 0.993 33 E CA 1.229 57.597 56.400 -0.054 0.000 0.819 33 E CB -0.114 29.517 29.700 -0.115 0.000 0.745 33 E HN 0.741 nan 8.360 nan 0.000 0.477 34 Q N -0.904 118.857 119.800 -0.065 0.000 2.320 34 Q HA 0.114 4.453 4.340 -0.001 0.000 0.201 34 Q C 0.563 176.534 176.000 -0.050 0.000 0.910 34 Q CA 0.311 56.087 55.803 -0.044 0.000 0.946 34 Q CB 1.067 29.796 28.738 -0.015 0.000 1.062 34 Q HN 0.349 nan 8.270 nan 0.000 0.503 35 G N 0.523 109.270 108.800 -0.088 0.000 2.149 35 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.235 35 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.235 35 G C 0.112 174.857 174.900 -0.258 0.000 1.018 35 G CA -0.038 44.962 45.100 -0.167 0.000 0.728 35 G HN 0.487 nan 8.290 nan 0.000 0.508 36 A N -0.221 122.497 122.820 -0.170 0.000 2.425 36 A HA 0.640 4.959 4.320 -0.001 0.000 0.249 36 A C 1.028 178.473 177.584 -0.232 0.000 1.084 36 A CA 0.425 52.387 52.037 -0.125 0.000 0.781 36 A CB 0.220 19.188 19.000 -0.054 0.000 1.019 36 A HN 0.508 nan 8.150 nan 0.000 0.490 37 H N 0.729 119.773 119.070 -0.044 0.000 2.639 37 H HA 0.217 4.772 4.556 -0.001 0.000 0.267 37 H C -0.617 174.654 175.328 -0.095 0.000 0.958 37 H CA 0.414 56.421 56.048 -0.069 0.000 1.221 37 H CB 0.742 30.439 29.762 -0.109 0.000 1.446 37 H HN 0.430 nan 8.280 nan 0.000 0.512 38 L N 1.134 122.376 121.223 0.032 0.000 2.455 38 L HA 0.417 4.756 4.340 -0.001 0.000 0.264 38 L C -1.334 175.525 176.870 -0.019 0.000 0.968 38 L CA -0.832 54.003 54.840 -0.009 0.000 0.827 38 L CB 2.318 44.360 42.059 -0.029 0.000 1.317 38 L HN -0.276 nan 8.230 nan 0.000 0.407 39 V N 3.792 123.696 119.914 -0.016 0.000 2.487 39 V HA 0.941 5.061 4.120 -0.001 0.000 0.298 39 V C -0.109 175.952 176.094 -0.055 0.000 1.028 39 V CA -0.292 61.978 62.300 -0.050 0.000 0.860 39 V CB 1.331 33.154 31.823 -0.000 0.000 0.991 39 V HN 0.976 nan 8.190 nan 0.000 0.427 40 A N 4.459 127.162 122.820 -0.196 0.000 2.374 40 A HA 0.971 5.291 4.320 -0.001 0.000 0.317 40 A C -1.354 175.971 177.584 -0.431 0.000 1.094 40 A CA -0.392 51.546 52.037 -0.165 0.000 0.765 40 A CB 1.222 20.150 19.000 -0.119 0.000 1.268 40 A HN 0.614 nan 8.150 nan 0.000 0.438 41 F N 0.921 120.820 119.950 -0.086 0.000 2.577 41 F HA 0.600 5.126 4.527 -0.001 0.000 0.318 41 F C -2.211 173.501 175.800 -0.146 0.000 1.065 41 F CA -1.953 55.969 58.000 -0.130 0.000 0.929 41 F CB 2.426 41.356 39.000 -0.117 0.000 1.237 41 F HN 0.326 nan 8.300 nan 0.000 0.468 42 P HA 0.022 nan 4.420 nan 0.000 0.273 42 P C -0.902 176.305 177.300 -0.155 0.000 1.250 42 P CA -0.507 62.514 63.100 -0.133 0.000 0.793 42 P CB 0.399 31.985 31.700 -0.190 0.000 1.011 43 E N 1.432 121.476 120.200 -0.260 0.000 2.765 43 E HA -0.148 4.202 4.350 -0.001 0.000 0.256 43 E C 0.100 176.514 176.600 -0.310 0.000 0.935 43 E CA 0.217 56.418 56.400 -0.332 0.000 0.954 43 E CB -0.392 28.996 29.700 -0.520 0.000 0.908 43 E HN 0.353 nan 8.360 nan 0.000 0.500 44 M N 3.355 122.841 119.600 -0.191 0.000 2.682 44 M HA -0.332 4.148 4.480 -0.001 0.000 0.196 44 M C 0.604 176.880 176.300 -0.041 0.000 0.542 44 M CA 1.133 56.387 55.300 -0.077 0.000 0.593 44 M CB -1.163 31.448 32.600 0.019 0.000 2.183 44 M HN 0.638 nan 8.290 nan 0.000 0.663 45 A N -0.663 122.120 122.820 -0.062 0.000 1.972 45 A HA -0.050 4.270 4.320 -0.001 0.000 0.219 45 A C 1.614 179.168 177.584 -0.050 0.000 1.169 45 A CA 1.660 53.661 52.037 -0.060 0.000 0.635 45 A CB -0.313 18.660 19.000 -0.044 0.000 0.810 45 A HN 0.720 nan 8.150 nan 0.000 0.446 46 L N 0.318 121.521 121.223 -0.033 0.000 2.093 46 L HA -0.092 4.248 4.340 -0.001 0.000 0.208 46 L C 2.531 179.399 176.870 -0.003 0.000 1.085 46 L CA 2.854 57.670 54.840 -0.040 0.000 0.755 46 L CB -0.639 41.402 42.059 -0.029 0.000 0.904 46 L HN 0.553 nan 8.230 nan 0.000 0.435 47 T N -3.817 110.764 114.554 0.046 0.000 3.034 47 T HA 0.563 4.913 4.350 -0.001 0.000 0.248 47 T C 0.995 175.808 174.700 0.189 0.000 1.040 47 T CA 0.256 62.442 62.100 0.143 0.000 1.107 47 T CB -0.145 68.850 68.868 0.211 0.000 0.932 47 T HN 0.695 nan 8.240 nan 0.000 0.474 48 G N 0.255 109.127 108.800 0.121 0.000 2.555 48 G HA2 0.201 4.161 3.960 -0.001 0.000 0.686 48 G HA3 0.201 4.161 3.960 -0.001 0.000 0.686 48 G C -1.501 173.491 174.900 0.153 0.000 1.275 48 G CA -0.663 44.503 45.100 0.109 0.000 0.871 48 G HN 0.667 nan 8.290 nan 0.000 0.603 49 Y N 0.711 120.983 120.300 -0.046 0.000 2.519 49 Y HA 0.614 5.163 4.550 -0.001 0.000 0.336 49 Y C -2.279 173.701 175.900 0.135 0.000 1.089 49 Y CA -1.419 56.633 58.100 -0.081 0.000 1.025 49 Y CB 2.888 41.163 38.460 -0.310 0.000 1.318 49 Y HN 0.622 nan 8.280 nan 0.000 0.452 50 P HA 0.155 nan 4.420 nan 0.000 0.279 50 P C -0.087 177.064 177.300 -0.248 0.000 1.239 50 P CA -0.044 62.673 63.100 -0.639 0.000 0.789 50 P CB 2.385 33.913 31.700 -0.286 0.000 0.933 51 V N 1.864 121.617 119.914 -0.268 0.000 3.650 51 V HA -0.034 4.085 4.120 -0.001 0.000 0.271 51 V C 1.149 177.171 176.094 -0.120 0.000 1.281 51 V CA 0.744 62.966 62.300 -0.130 0.000 1.120 51 V CB -0.980 30.823 31.823 -0.034 0.000 0.856 51 V HN 0.723 nan 8.190 nan 0.000 0.443 52 E N -0.062 120.091 120.200 -0.079 0.000 3.259 52 E HA -0.370 3.980 4.350 -0.001 0.000 0.332 52 E C 0.598 177.170 176.600 -0.048 0.000 1.477 52 E CA 1.585 57.970 56.400 -0.025 0.000 1.742 52 E CB -1.239 28.451 29.700 -0.017 0.000 1.842 52 E HN 0.463 nan 8.360 nan 0.000 0.499 53 D N 0.619 120.971 120.400 -0.080 0.000 2.371 53 D HA 0.028 4.668 4.640 -0.001 0.000 0.221 53 D C 1.688 177.892 176.300 -0.160 0.000 0.986 53 D CA 0.447 54.367 54.000 -0.133 0.000 0.899 53 D CB -0.083 40.645 40.800 -0.120 0.000 0.902 53 D HN 0.207 nan 8.370 nan 0.000 0.530 54 L N -0.103 121.001 121.223 -0.199 0.000 2.456 54 L HA -0.057 4.283 4.340 -0.001 0.000 0.224 54 L C 2.149 178.931 176.870 -0.146 0.000 1.148 54 L CA 0.433 55.088 54.840 -0.308 0.000 0.825 54 L CB -0.218 41.441 42.059 -0.668 0.000 0.937 54 L HN 0.058 nan 8.230 nan 0.000 0.450 55 A N -0.379 122.396 122.820 -0.076 0.000 2.119 55 A HA 0.058 4.378 4.320 -0.001 0.000 0.216 55 A C 1.912 179.404 177.584 -0.155 0.000 1.152 55 A CA 0.594 52.608 52.037 -0.038 0.000 0.708 55 A CB -0.224 18.773 19.000 -0.005 0.000 0.805 55 A HN 0.406 nan 8.150 nan 0.000 0.460 56 L N -0.447 120.666 121.223 -0.183 0.000 2.629 56 L HA 0.178 4.518 4.340 -0.001 0.000 0.230 56 L C 0.353 177.146 176.870 -0.129 0.000 1.151 56 L CA -0.042 54.668 54.840 -0.216 0.000 0.924 56 L CB -0.064 41.808 42.059 -0.313 0.000 1.137 56 L HN 0.195 nan 8.230 nan 0.000 0.457 57 R N -1.034 119.425 120.500 -0.068 0.000 2.437 57 R HA 0.297 4.637 4.340 -0.001 0.000 0.310 57 R C 0.852 177.159 176.300 0.011 0.000 0.955 57 R CA -0.301 55.784 56.100 -0.024 0.000 0.851 57 R CB 1.903 32.204 30.300 0.001 0.000 1.161 57 R HN -0.082 nan 8.270 nan 0.000 0.446 58 S N 0.751 116.446 115.700 -0.007 0.000 2.399 58 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 58 S C 1.896 176.504 174.600 0.014 0.000 1.022 58 S CA 1.820 60.016 58.200 -0.007 0.000 0.983 58 S CB 0.009 63.199 63.200 -0.017 0.000 0.803 58 S HN 0.778 nan 8.310 nan 0.000 0.480 59 S N 0.984 116.706 115.700 0.036 0.000 2.387 59 S HA -0.018 4.452 4.470 -0.001 0.000 0.226 59 S C 1.630 176.280 174.600 0.084 0.000 1.026 59 S CA 0.602 58.830 58.200 0.046 0.000 0.972 59 S CB -0.707 62.522 63.200 0.048 0.000 0.814 59 S HN 0.537 nan 8.310 nan 0.000 0.477 60 F N 2.325 122.255 119.950 -0.034 0.000 2.234 60 F HA 0.058 4.585 4.527 -0.001 0.000 0.296 60 F C 2.160 177.946 175.800 -0.023 0.000 1.089 60 F CA 0.778 58.761 58.000 -0.028 0.000 1.343 60 F CB -0.075 38.905 39.000 -0.034 0.000 1.040 60 F HN 0.021 nan 8.300 nan 0.000 0.498 61 V N 0.286 120.204 119.914 0.008 0.000 2.295 61 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 61 V C 2.312 178.345 176.094 -0.102 0.000 1.049 61 V CA 1.947 64.199 62.300 -0.081 0.000 1.024 61 V CB -0.657 31.140 31.823 -0.043 0.000 0.648 61 V HN 0.248 nan 8.190 nan 0.000 0.447 62 E N 0.436 120.597 120.200 -0.064 0.000 2.106 62 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 62 E C 2.351 178.900 176.600 -0.085 0.000 0.984 62 E CA 1.488 57.855 56.400 -0.056 0.000 0.806 62 E CB -0.652 29.029 29.700 -0.032 0.000 0.750 62 E HN 0.567 nan 8.360 nan 0.000 0.458 63 A N 0.770 123.518 122.820 -0.119 0.000 1.902 63 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 63 A C 2.431 179.891 177.584 -0.207 0.000 1.181 63 A CA 2.018 53.967 52.037 -0.146 0.000 0.623 63 A CB -0.672 18.246 19.000 -0.136 0.000 0.818 63 A HN 0.271 nan 8.150 nan 0.000 0.443 64 S N -0.647 114.863 115.700 -0.317 0.000 2.356 64 S HA -0.199 4.270 4.470 -0.001 0.000 0.223 64 S C 2.214 176.769 174.600 -0.075 0.000 1.032 64 S CA 1.561 59.613 58.200 -0.247 0.000 1.005 64 S CB -0.326 62.701 63.200 -0.290 0.000 0.867 64 S HN 0.615 nan 8.310 nan 0.000 0.449 65 R N -0.087 120.390 120.500 -0.038 0.000 2.070 65 R HA -0.052 4.287 4.340 -0.001 0.000 0.233 65 R C 2.582 178.835 176.300 -0.078 0.000 1.137 65 R CA 2.007 58.100 56.100 -0.011 0.000 0.945 65 R CB -1.005 29.301 30.300 0.010 0.000 0.845 65 R HN 0.409 nan 8.270 nan 0.000 0.430 66 T N 0.779 115.288 114.554 -0.075 0.000 2.720 66 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 66 T C 1.897 176.544 174.700 -0.088 0.000 1.037 66 T CA 1.489 63.545 62.100 -0.073 0.000 1.144 66 T CB -0.252 68.581 68.868 -0.059 0.000 0.864 66 T HN 0.398 nan 8.240 nan 0.000 0.444 67 A N 0.831 123.590 122.820 -0.101 0.000 1.969 67 A HA 0.063 4.383 4.320 -0.001 0.000 0.218 67 A C 2.223 179.728 177.584 -0.131 0.000 1.169 67 A CA 1.008 52.983 52.037 -0.104 0.000 0.635 67 A CB -0.679 18.258 19.000 -0.105 0.000 0.810 67 A HN 0.418 nan 8.150 nan 0.000 0.445 68 L N -0.251 120.863 121.223 -0.181 0.000 2.027 68 L HA -0.116 4.223 4.340 -0.001 0.000 0.206 68 L C 2.497 179.249 176.870 -0.197 0.000 1.074 68 L CA 1.811 56.494 54.840 -0.262 0.000 0.745 68 L CB -0.415 41.337 42.059 -0.511 0.000 0.898 68 L HN 0.320 nan 8.230 nan 0.000 0.433 69 R N -0.382 120.023 120.500 -0.159 0.000 2.083 69 R HA -0.188 4.152 4.340 -0.001 0.000 0.237 69 R C 2.164 178.416 176.300 -0.080 0.000 1.137 69 R CA 1.984 58.020 56.100 -0.107 0.000 0.951 69 R CB -0.416 29.834 30.300 -0.082 0.000 0.851 69 R HN 0.525 nan 8.270 nan 0.000 0.434 70 E N 0.369 120.523 120.200 -0.077 0.000 2.150 70 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 70 E C 1.867 178.435 176.600 -0.054 0.000 0.985 70 E CA 0.724 57.089 56.400 -0.058 0.000 0.814 70 E CB -0.020 29.648 29.700 -0.053 0.000 0.752 70 E HN 0.120 nan 8.360 nan 0.000 0.466 71 L N 0.672 121.851 121.223 -0.073 0.000 2.109 71 L HA -0.004 4.336 4.340 -0.001 0.000 0.207 71 L C 2.158 179.002 176.870 -0.043 0.000 1.086 71 L CA 1.662 56.462 54.840 -0.066 0.000 0.760 71 L CB -0.461 41.535 42.059 -0.104 0.000 0.910 71 L HN 0.010 nan 8.230 nan 0.000 0.437 72 A N -0.210 122.577 122.820 -0.055 0.000 1.908 72 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 72 A C 2.440 180.017 177.584 -0.013 0.000 1.181 72 A CA 1.911 53.931 52.037 -0.029 0.000 0.627 72 A CB -1.174 17.799 19.000 -0.045 0.000 0.818 72 A HN 0.571 nan 8.150 nan 0.000 0.445 73 A N -0.590 122.215 122.820 -0.024 0.000 1.929 73 A HA -0.071 4.249 4.320 -0.001 0.000 0.216 73 A C 2.170 179.748 177.584 -0.009 0.000 1.176 73 A CA 1.856 53.881 52.037 -0.021 0.000 0.628 73 A CB -0.374 18.609 19.000 -0.028 0.000 0.816 73 A HN 0.461 nan 8.150 nan 0.000 0.444 74 R N -0.780 119.718 120.500 -0.003 0.000 2.115 74 R HA -0.005 4.335 4.340 -0.001 0.000 0.230 74 R C 1.645 177.978 176.300 0.056 0.000 1.111 74 R CA 0.972 57.080 56.100 0.014 0.000 0.976 74 R CB -0.581 29.724 30.300 0.009 0.000 0.870 74 R HN 0.363 nan 8.270 nan 0.000 0.445 75 L N 0.030 121.302 121.223 0.081 0.000 2.017 75 L HA -0.002 4.338 4.340 -0.001 0.000 0.208 75 L C 2.263 179.218 176.870 0.142 0.000 1.073 75 L CA 2.218 57.170 54.840 0.187 0.000 0.745 75 L CB -1.160 40.993 42.059 0.158 0.000 0.894 75 L HN 0.315 nan 8.230 nan 0.000 0.432 76 A N -1.362 121.485 122.820 0.045 0.000 1.930 76 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 76 A C 2.321 179.868 177.584 -0.062 0.000 1.175 76 A CA 1.451 53.477 52.037 -0.018 0.000 0.627 76 A CB -0.515 18.463 19.000 -0.037 0.000 0.815 76 A HN 0.479 nan 8.150 nan 0.000 0.443 77 E N -0.580 119.592 120.200 -0.046 0.000 2.153 77 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 77 E C 1.657 178.198 176.600 -0.099 0.000 0.988 77 E CA 1.252 57.616 56.400 -0.060 0.000 0.811 77 E CB -0.010 29.669 29.700 -0.036 0.000 0.746 77 E HN 0.610 nan 8.360 nan 0.000 0.466 78 E N -0.933 119.198 120.200 -0.116 0.000 2.481 78 E HA 0.047 4.397 4.350 -0.001 0.000 0.195 78 E C 0.463 176.717 176.600 -0.577 0.000 1.047 78 E CA 0.704 56.962 56.400 -0.238 0.000 0.867 78 E CB 0.491 30.148 29.700 -0.072 0.000 0.858 78 E HN 0.367 nan 8.360 nan 0.000 0.513 79 G N -0.060 108.468 108.800 -0.453 0.000 2.203 79 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.231 79 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.231 79 G C 0.108 174.675 174.900 -0.556 0.000 1.058 79 G CA 0.075 44.900 45.100 -0.458 0.000 0.781 79 G HN 0.293 nan 8.290 nan 0.000 0.496 80 F N -0.002 119.945 119.950 -0.005 0.000 2.764 80 F HA 0.387 4.914 4.527 -0.001 0.000 0.310 80 F C 2.054 177.856 175.800 0.003 0.000 1.124 80 F CA -0.021 57.985 58.000 0.011 0.000 1.252 80 F CB 0.887 39.905 39.000 0.030 0.000 1.010 80 F HN 0.214 nan 8.300 nan 0.000 0.518 81 G N -0.124 108.713 108.800 0.062 0.000 2.471 81 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.219 81 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.219 81 G C 1.478 176.289 174.900 -0.149 0.000 1.125 81 G CA 0.637 45.709 45.100 -0.047 0.000 0.775 81 G HN 0.150 nan 8.290 nan 0.000 0.548 82 E N -0.751 119.456 120.200 0.011 0.000 2.474 82 E HA 0.124 4.474 4.350 -0.001 0.000 0.194 82 E C 0.151 176.957 176.600 0.344 0.000 1.041 82 E CA -0.299 56.184 56.400 0.138 0.000 0.874 82 E CB 0.416 30.194 29.700 0.130 0.000 0.914 82 E HN 0.332 nan 8.360 nan 0.000 0.498 83 L N 3.328 124.720 121.223 0.281 0.000 2.255 83 L HA 0.313 4.652 4.340 -0.001 0.000 0.289 83 L C -2.569 174.460 176.870 0.264 0.000 1.046 83 L CA -2.225 52.759 54.840 0.240 0.000 0.816 83 L CB 0.971 43.144 42.059 0.190 0.000 1.197 83 L HN -0.262 nan 8.230 nan 0.000 0.427 84 P HA 0.159 nan 4.420 nan 0.000 0.276 84 P C -1.211 176.137 177.300 0.080 0.000 1.243 84 P CA -0.075 63.084 63.100 0.099 0.000 0.768 84 P CB 1.231 32.882 31.700 -0.083 0.000 0.856 85 V N 5.045 125.020 119.914 0.102 0.000 2.444 85 V HA 0.265 4.384 4.120 -0.001 0.000 0.294 85 V C 0.070 176.232 176.094 0.113 0.000 1.022 85 V CA -0.854 61.515 62.300 0.115 0.000 0.850 85 V CB 1.755 33.660 31.823 0.136 0.000 0.992 85 V HN 0.393 nan 8.190 nan 0.000 0.426 86 L N 6.981 128.280 121.223 0.127 0.000 2.264 86 L HA 0.740 5.080 4.340 -0.001 0.000 0.289 86 L C -0.580 176.386 176.870 0.161 0.000 1.044 86 L CA 0.266 55.181 54.840 0.125 0.000 0.807 86 L CB 1.375 43.498 42.059 0.106 0.000 1.192 86 L HN 0.463 nan 8.230 nan 0.000 0.425 87 V N 5.013 124.990 119.914 0.106 0.000 2.531 87 V HA 0.641 4.761 4.120 -0.001 0.000 0.301 87 V C 0.670 176.813 176.094 0.081 0.000 1.034 87 V CA -0.499 61.844 62.300 0.072 0.000 0.865 87 V CB 1.418 33.215 31.823 -0.043 0.000 0.995 87 V HN 0.912 nan 8.190 nan 0.000 0.424 88 G N 3.599 112.433 108.800 0.056 0.000 2.483 88 G HA2 0.542 4.502 3.960 -0.001 0.000 0.248 88 G HA3 0.542 4.502 3.960 -0.001 0.000 0.248 88 G C -0.935 174.045 174.900 0.134 0.000 1.248 88 G CA 0.102 45.220 45.100 0.031 0.000 0.838 88 G HN 1.103 nan 8.290 nan 0.000 0.566 89 Y N -0.276 119.953 120.300 -0.119 0.000 2.818 89 Y HA 0.640 5.190 4.550 -0.001 0.000 0.341 89 Y C -1.892 173.969 175.900 -0.065 0.000 1.283 89 Y CA -1.669 56.373 58.100 -0.097 0.000 1.075 89 Y CB 1.226 39.618 38.460 -0.114 0.000 1.370 89 Y HN 0.641 nan 8.280 nan 0.000 0.448 90 L N 2.696 123.779 121.223 -0.235 0.000 2.307 90 L HA 0.612 4.952 4.340 -0.001 0.000 0.284 90 L C -0.978 175.672 176.870 -0.367 0.000 1.023 90 L CA 0.118 54.785 54.840 -0.287 0.000 0.810 90 L CB 1.297 43.333 42.059 -0.039 0.000 1.231 90 L HN 0.849 nan 8.230 nan 0.000 0.423 91 D N 2.808 122.973 120.400 -0.392 0.000 2.758 91 D HA 0.552 5.191 4.640 -0.001 0.000 0.279 91 D C -1.269 174.933 176.300 -0.164 0.000 1.111 91 D CA -0.425 53.441 54.000 -0.224 0.000 1.109 91 D CB 2.114 42.762 40.800 -0.253 0.000 1.428 91 D HN 0.573 nan 8.370 nan 0.000 0.586 92 R N -0.640 119.797 120.500 -0.105 0.000 2.774 92 R HA 0.403 4.743 4.340 -0.001 0.000 0.272 92 R C -1.312 174.949 176.300 -0.064 0.000 1.000 92 R CA -0.642 55.393 56.100 -0.109 0.000 0.906 92 R CB 0.619 30.858 30.300 -0.101 0.000 1.227 92 R HN 0.335 nan 8.270 nan 0.000 0.468 93 S N 0.263 115.926 115.700 -0.061 0.000 2.499 93 S HA 0.172 4.642 4.470 -0.001 0.000 0.275 93 S C 0.559 175.148 174.600 -0.019 0.000 1.257 93 S CA -0.511 57.673 58.200 -0.026 0.000 1.050 93 S CB 1.534 64.725 63.200 -0.016 0.000 0.937 93 S HN 0.697 nan 8.310 nan 0.000 0.490 94 E N 2.501 122.699 120.200 -0.005 0.000 2.046 94 E HA -0.031 4.319 4.350 -0.001 0.000 0.190 94 E C 0.490 177.091 176.600 0.001 0.000 0.982 94 E CA 0.889 57.288 56.400 -0.003 0.000 0.800 94 E CB 0.097 29.800 29.700 0.004 0.000 0.756 94 E HN 0.757 nan 8.360 nan 0.000 0.449 95 S N 0.616 116.322 115.700 0.010 0.000 2.600 95 S HA 0.370 4.839 4.470 -0.001 0.000 0.265 95 S C 0.079 174.688 174.600 0.015 0.000 1.325 95 S CA -0.487 57.722 58.200 0.015 0.000 1.002 95 S CB 1.277 64.492 63.200 0.025 0.000 0.921 95 S HN 0.325 nan 8.310 nan 0.000 0.554 96 A N 0.857 123.686 122.820 0.016 0.000 2.386 96 A HA 0.397 4.716 4.320 -0.001 0.000 0.248 96 A C 0.107 177.712 177.584 0.035 0.000 1.082 96 A CA -0.177 51.872 52.037 0.019 0.000 0.789 96 A CB 0.006 19.015 19.000 0.015 0.000 1.025 96 A HN 0.615 nan 8.150 nan 0.000 0.490 97 Q N 1.294 121.121 119.800 0.046 0.000 2.425 97 Q HA 0.381 4.721 4.340 -0.001 0.000 0.254 97 Q C -1.970 174.070 176.000 0.067 0.000 1.032 97 Q CA -2.023 53.828 55.803 0.081 0.000 0.798 97 Q CB 1.379 30.193 28.738 0.126 0.000 1.210 97 Q HN 0.472 nan 8.270 nan 0.000 0.491 98 P HA -0.097 nan 4.420 nan 0.000 0.218 98 P C 0.225 177.516 177.300 -0.016 0.000 1.152 98 P CA 0.841 63.950 63.100 0.014 0.000 0.826 98 P CB 0.483 32.186 31.700 0.006 0.000 0.790 99 K N -1.146 119.231 120.400 -0.038 0.000 2.288 99 K HA -0.051 4.268 4.320 -0.001 0.000 0.201 99 K C 1.579 177.935 176.600 -0.406 0.000 1.048 99 K CA 1.154 57.312 56.287 -0.214 0.000 0.956 99 K CB -0.513 31.830 32.500 -0.261 0.000 0.746 99 K HN 0.353 nan 8.250 nan 0.000 0.461 100 Y N -0.646 119.661 120.300 0.012 0.000 2.512 100 Y HA 0.246 4.796 4.550 -0.001 0.000 0.268 100 Y C 0.986 176.865 175.900 -0.036 0.000 1.102 100 Y CA 0.212 58.309 58.100 -0.005 0.000 1.261 100 Y CB 0.926 39.384 38.460 -0.004 0.000 1.250 100 Y HN 0.181 nan 8.280 nan 0.000 0.506 101 G N 1.270 110.131 108.800 0.102 0.000 2.414 101 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.256 101 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.256 101 G C -0.672 174.243 174.900 0.026 0.000 1.128 101 G CA -0.441 44.683 45.100 0.039 0.000 0.944 101 G HN 0.107 nan 8.290 nan 0.000 0.500 102 Q N -0.253 119.574 119.800 0.046 0.000 2.353 102 Q HA 0.519 4.859 4.340 -0.001 0.000 0.268 102 Q C -2.015 173.996 176.000 0.018 0.000 1.045 102 Q CA -1.642 54.173 55.803 0.020 0.000 0.811 102 Q CB 3.058 31.805 28.738 0.014 0.000 1.305 102 Q HN 0.372 nan 8.270 nan 0.000 0.447 103 P HA 0.175 nan 4.420 nan 0.000 0.337 103 P C -0.780 176.518 177.300 -0.003 0.000 1.340 103 P CA -0.357 62.746 63.100 0.004 0.000 0.764 103 P CB 0.309 32.010 31.700 0.002 0.000 1.718 104 A N -1.440 121.376 122.820 -0.008 0.000 2.363 104 A HA 0.496 4.816 4.320 -0.001 0.000 0.270 104 A C 1.047 178.614 177.584 -0.028 0.000 1.121 104 A CA 0.228 52.257 52.037 -0.014 0.000 0.800 104 A CB -1.270 17.724 19.000 -0.011 0.000 1.052 104 A HN 0.823 nan 8.150 nan 0.000 0.493 105 G N 0.724 109.503 108.800 -0.036 0.000 2.273 105 G HA2 0.176 4.136 3.960 -0.001 0.000 0.280 105 G HA3 0.176 4.136 3.960 -0.001 0.000 0.280 105 G C 0.455 175.301 174.900 -0.089 0.000 1.047 105 G CA 0.506 45.572 45.100 -0.057 0.000 0.869 105 G HN 2.067 nan 8.290 nan 0.000 0.502 106 A N 0.714 123.480 122.820 -0.090 0.000 2.401 106 A HA 0.736 5.056 4.320 -0.001 0.000 0.259 106 A C -1.039 176.408 177.584 -0.229 0.000 1.103 106 A CA -0.942 51.012 52.037 -0.138 0.000 0.789 106 A CB 0.692 19.639 19.000 -0.088 0.000 1.035 106 A HN 0.306 nan 8.150 nan 0.000 0.491 107 P HA 0.290 nan 4.420 nan 0.000 0.274 107 P C -1.038 175.921 177.300 -0.570 0.000 1.231 107 P CA -0.157 62.590 63.100 -0.587 0.000 0.790 107 P CB 0.701 31.814 31.700 -0.979 0.000 0.951 108 R N 0.705 121.041 120.500 -0.273 0.000 2.621 108 R HA 0.425 4.764 4.340 -0.001 0.000 0.292 108 R C -0.341 176.026 176.300 0.111 0.000 0.969 108 R CA -0.887 55.223 56.100 0.017 0.000 0.887 108 R CB 0.817 31.089 30.300 -0.046 0.000 1.180 108 R HN 0.248 nan 8.270 nan 0.000 0.450 109 N N 2.356 121.247 118.700 0.319 0.000 2.402 109 N HA 0.156 4.896 4.740 -0.001 0.000 0.259 109 N C -1.242 174.142 175.510 -0.210 0.000 1.167 109 N CA 0.193 53.264 53.050 0.035 0.000 0.949 109 N CB 1.052 39.465 38.487 -0.122 0.000 1.212 109 N HN 0.721 nan 8.380 nan 0.000 0.493 110 A N 2.400 124.977 122.820 -0.406 0.000 2.346 110 A HA 0.934 5.253 4.320 -0.001 0.000 0.313 110 A C -1.020 176.252 177.584 -0.520 0.000 1.140 110 A CA -0.585 51.110 52.037 -0.570 0.000 0.826 110 A CB 1.429 19.980 19.000 -0.748 0.000 1.332 110 A HN 0.701 nan 8.150 nan 0.000 0.457 111 A N -0.744 121.773 122.820 -0.505 0.000 2.520 111 A HA 0.864 5.183 4.320 -0.001 0.000 0.298 111 A C -0.498 177.074 177.584 -0.021 0.000 1.051 111 A CA 0.117 52.020 52.037 -0.225 0.000 0.690 111 A CB 1.287 20.031 19.000 -0.427 0.000 1.281 111 A HN 2.460 nan 8.150 nan 0.000 0.402 112 A N 0.677 123.579 122.820 0.137 0.000 2.454 112 A HA 0.766 5.086 4.320 -0.001 0.000 0.302 112 A C -1.126 176.509 177.584 0.085 0.000 1.079 112 A CA -0.527 51.570 52.037 0.099 0.000 0.731 112 A CB 1.523 20.479 19.000 -0.073 0.000 1.299 112 A HN 1.395 nan 8.150 nan 0.000 0.413 113 V N 2.338 122.311 119.914 0.099 0.000 2.347 113 V HA 0.342 4.462 4.120 -0.001 0.000 0.280 113 V C -0.391 175.743 176.094 0.067 0.000 1.021 113 V CA -0.179 62.172 62.300 0.085 0.000 0.847 113 V CB 0.922 32.795 31.823 0.084 0.000 0.990 113 V HN 0.666 nan 8.190 nan 0.000 0.444 114 L N 5.904 127.168 121.223 0.069 0.000 2.257 114 L HA 0.612 4.952 4.340 -0.001 0.000 0.290 114 L C -0.155 176.814 176.870 0.166 0.000 1.044 114 L CA -0.175 54.708 54.840 0.071 0.000 0.810 114 L CB 0.548 42.622 42.059 0.025 0.000 1.193 114 L HN 0.672 nan 8.230 nan 0.000 0.425 115 H N 5.020 124.103 119.070 0.021 0.000 3.038 115 H HA 0.303 4.859 4.556 -0.001 0.000 0.362 115 H C -0.305 175.039 175.328 0.026 0.000 1.167 115 H CA -0.680 55.388 56.048 0.033 0.000 1.197 115 H CB 1.795 31.578 29.762 0.036 0.000 1.840 115 H HN 0.543 nan 8.280 nan 0.000 0.540 116 R N 1.890 122.133 120.500 -0.427 0.000 3.641 116 R HA -0.168 4.172 4.340 -0.001 0.000 0.286 116 R C 0.798 177.030 176.300 -0.115 0.000 1.153 116 R CA 1.063 56.992 56.100 -0.286 0.000 0.775 116 R CB -2.272 27.897 30.300 -0.218 0.000 1.215 116 R HN 1.096 nan 8.270 nan 0.000 0.474 117 G N -0.374 108.381 108.800 -0.075 0.000 2.160 117 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.251 117 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.251 117 G C 0.168 175.050 174.900 -0.029 0.000 1.008 117 G CA 0.871 45.947 45.100 -0.040 0.000 0.724 117 G HN 0.487 nan 8.290 nan 0.000 0.514 118 R N -1.862 118.627 120.500 -0.018 0.000 2.831 118 R HA 0.554 4.893 4.340 -0.001 0.000 0.266 118 R C -0.658 175.642 176.300 -0.001 0.000 1.051 118 R CA -0.897 55.196 56.100 -0.012 0.000 0.943 118 R CB 1.633 31.932 30.300 -0.002 0.000 1.228 118 R HN 0.101 nan 8.270 nan 0.000 0.467 119 V N 2.274 122.179 119.914 -0.015 0.000 2.353 119 V HA 0.141 4.261 4.120 -0.001 0.000 0.264 119 V C 0.925 177.033 176.094 0.025 0.000 1.049 119 V CA 0.297 62.587 62.300 -0.017 0.000 0.896 119 V CB 0.664 32.450 31.823 -0.062 0.000 1.025 119 V HN 0.989 nan 8.190 nan 0.000 0.475 120 A N 5.243 128.097 122.820 0.056 0.000 1.935 120 A HA 0.319 4.638 4.320 -0.001 0.000 0.214 120 A C 0.524 178.149 177.584 0.068 0.000 1.178 120 A CA 0.878 52.960 52.037 0.075 0.000 0.640 120 A CB 0.128 19.194 19.000 0.111 0.000 0.825 120 A HN 0.599 nan 8.150 nan 0.000 0.447 121 L N -1.518 119.754 121.223 0.080 0.000 2.445 121 L HA 0.602 4.942 4.340 -0.001 0.000 0.262 121 L C -1.412 175.550 176.870 0.152 0.000 0.974 121 L CA 0.099 55.005 54.840 0.109 0.000 0.822 121 L CB 2.587 44.713 42.059 0.111 0.000 1.339 121 L HN -0.059 nan 8.230 nan 0.000 0.409 122 T N 4.790 119.449 114.554 0.175 0.000 2.949 122 T HA 0.603 4.953 4.350 -0.001 0.000 0.300 122 T C -0.988 173.859 174.700 0.245 0.000 0.988 122 T CA -0.206 62.010 62.100 0.193 0.000 0.993 122 T CB 0.481 69.441 68.868 0.153 0.000 0.984 122 T HN 0.425 nan 8.240 nan 0.000 0.442 123 F N 1.516 121.510 119.950 0.072 0.000 2.639 123 F HA 1.002 5.528 4.527 -0.001 0.000 0.339 123 F C -0.703 175.115 175.800 0.029 0.000 1.071 123 F CA -1.717 56.309 58.000 0.044 0.000 0.994 123 F CB 0.937 39.954 39.000 0.029 0.000 1.341 123 F HN 0.596 nan 8.300 nan 0.000 0.498 124 A N 1.363 124.171 122.820 -0.020 0.000 2.515 124 A HA 0.517 4.837 4.320 -0.001 0.000 0.298 124 A C -0.962 176.642 177.584 0.033 0.000 1.059 124 A CA -1.178 50.768 52.037 -0.152 0.000 0.698 124 A CB 1.292 20.250 19.000 -0.071 0.000 1.289 124 A HN 0.957 nan 8.150 nan 0.000 0.404 125 K N 0.469 120.839 120.400 -0.050 0.000 2.511 125 K HA -0.120 4.199 4.320 -0.001 0.000 0.277 125 K C 0.561 177.213 176.600 0.087 0.000 1.025 125 K CA 0.753 57.050 56.287 0.018 0.000 1.112 125 K CB 0.070 32.507 32.500 -0.106 0.000 0.859 125 K HN 0.943 nan 8.250 nan 0.000 0.485 126 H N 3.113 122.221 119.070 0.063 0.000 2.388 126 H HA 0.025 4.580 4.556 -0.001 0.000 0.304 126 H C -0.081 175.303 175.328 0.093 0.000 1.049 126 H CA 0.846 56.944 56.048 0.083 0.000 1.371 126 H CB 0.157 29.992 29.762 0.121 0.000 1.436 126 H HN 0.622 nan 8.280 nan 0.000 0.544 127 H N 1.330 120.284 119.070 -0.193 0.000 2.652 127 H HA 0.278 4.833 4.556 -0.001 0.000 0.298 127 H C -1.001 174.199 175.328 -0.212 0.000 1.076 127 H CA -0.480 55.418 56.048 -0.250 0.000 1.360 127 H CB 0.357 30.057 29.762 -0.105 0.000 1.421 127 H HN 0.280 nan 8.280 nan 0.000 0.464 128 L N 7.917 128.808 121.223 -0.553 0.000 2.366 128 L HA 0.361 4.701 4.340 -0.001 0.000 0.266 128 L C -2.512 173.977 176.870 -0.635 0.000 1.010 128 L CA -2.080 52.500 54.840 -0.433 0.000 0.879 128 L CB 1.360 43.333 42.059 -0.144 0.000 1.228 128 L HN 0.472 nan 8.230 nan 0.000 0.439 129 P HA 0.098 nan 4.420 nan 0.000 0.272 129 P C 0.328 177.177 177.300 -0.752 0.000 1.230 129 P CA -0.354 62.220 63.100 -0.877 0.000 0.788 129 P CB 0.936 32.084 31.700 -0.920 0.000 0.949 130 N N 0.559 118.806 118.700 -0.754 0.000 2.135 130 N HA -0.110 4.629 4.740 -0.001 0.000 0.186 130 N C 0.436 175.835 175.510 -0.186 0.000 1.027 130 N CA 0.729 53.499 53.050 -0.467 0.000 0.849 130 N CB -0.084 38.233 38.487 -0.284 0.000 1.002 130 N HN 0.465 nan 8.380 nan 0.000 0.425 131 Y N -1.102 119.169 120.300 -0.048 0.000 2.230 131 Y HA 0.567 5.117 4.550 -0.001 0.000 0.354 131 Y C 1.079 177.020 175.900 0.068 0.000 1.343 131 Y CA -0.405 57.703 58.100 0.012 0.000 1.693 131 Y CB -0.188 38.286 38.460 0.024 0.000 1.553 131 Y HN 0.237 nan 8.280 nan 0.000 0.599 132 G N -1.055 107.896 108.800 0.251 0.000 2.500 132 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.209 132 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.209 132 G C 0.060 174.924 174.900 -0.059 0.000 1.283 132 G CA 0.184 45.368 45.100 0.141 0.000 0.960 132 G HN 1.481 nan 8.290 nan 0.000 0.528 133 V N -3.024 116.710 119.914 -0.300 0.000 3.085 133 V HA 0.521 4.641 4.120 -0.001 0.000 0.245 133 V C 1.150 177.035 176.094 -0.349 0.000 1.114 133 V CA 1.095 63.148 62.300 -0.412 0.000 1.108 133 V CB -0.459 31.010 31.823 -0.590 0.000 0.798 133 V HN 0.802 nan 8.190 nan 0.000 0.471 134 F N 3.816 123.789 119.950 0.039 0.000 2.424 134 F HA 0.491 5.018 4.527 -0.001 0.000 0.356 134 F C 0.568 176.354 175.800 -0.024 0.000 1.110 134 F CA -1.797 56.196 58.000 -0.011 0.000 1.161 134 F CB 0.211 39.193 39.000 -0.029 0.000 1.115 134 F HN 0.171 nan 8.300 nan 0.000 0.507 135 D N 1.589 122.089 120.400 0.166 0.000 3.085 135 D HA 0.012 4.651 4.640 -0.001 0.000 0.243 135 D C 0.621 177.015 176.300 0.158 0.000 1.232 135 D CA -0.047 54.034 54.000 0.136 0.000 0.913 135 D CB -0.361 40.519 40.800 0.134 0.000 1.108 135 D HN 0.655 nan 8.370 nan 0.000 0.468 136 E N -0.443 119.791 120.200 0.056 0.000 2.274 136 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 136 E C 1.163 177.830 176.600 0.112 0.000 0.996 136 E CA 0.179 56.524 56.400 -0.091 0.000 0.840 136 E CB -0.107 29.269 29.700 -0.540 0.000 0.772 136 E HN 0.431 nan 8.360 nan 0.000 0.491 137 F N 1.967 121.865 119.950 -0.086 0.000 2.126 137 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 137 F C 2.368 178.114 175.800 -0.090 0.000 1.096 137 F CA 1.272 59.210 58.000 -0.103 0.000 1.255 137 F CB 0.187 39.108 39.000 -0.131 0.000 0.997 137 F HN -0.132 nan 8.300 nan 0.000 0.479 138 R N -0.846 119.521 120.500 -0.222 0.000 2.083 138 R HA -0.205 4.135 4.340 -0.001 0.000 0.237 138 R C 1.670 177.656 176.300 -0.524 0.000 1.137 138 R CA 2.202 57.971 56.100 -0.551 0.000 0.951 138 R CB -0.691 29.097 30.300 -0.853 0.000 0.851 138 R HN 0.425 nan 8.270 nan 0.000 0.434 139 Y N -2.287 118.045 120.300 0.053 0.000 2.444 139 Y HA 0.200 4.750 4.550 -0.001 0.000 0.252 139 Y C 0.208 176.097 175.900 -0.019 0.000 1.091 139 Y CA -0.764 57.346 58.100 0.017 0.000 1.276 139 Y CB 0.567 39.041 38.460 0.024 0.000 1.170 139 Y HN -0.163 nan 8.280 nan 0.000 0.517 140 F N 0.394 120.342 119.950 -0.003 0.000 2.394 140 F HA 0.376 4.903 4.527 -0.001 0.000 0.340 140 F C 0.157 175.874 175.800 -0.138 0.000 1.105 140 F CA -1.411 56.559 58.000 -0.050 0.000 1.124 140 F CB 0.875 39.844 39.000 -0.051 0.000 1.145 140 F HN -0.441 nan 8.300 nan 0.000 0.505 141 V N 6.106 126.007 119.914 -0.021 0.000 2.455 141 V HA 0.203 4.323 4.120 -0.001 0.000 0.273 141 V C -1.953 174.072 176.094 -0.115 0.000 1.045 141 V CA -1.483 60.751 62.300 -0.110 0.000 0.976 141 V CB 0.754 32.538 31.823 -0.066 0.000 0.993 141 V HN 0.536 nan 8.190 nan 0.000 0.475 142 P HA 0.293 nan 4.420 nan 0.000 0.276 142 P C 0.013 177.301 177.300 -0.020 0.000 1.244 142 P CA -0.164 62.820 63.100 -0.193 0.000 0.801 142 P CB 0.653 32.112 31.700 -0.402 0.000 1.006 143 G N 0.530 109.388 108.800 0.096 0.000 2.353 143 G HA2 0.290 4.250 3.960 -0.001 0.000 0.284 143 G HA3 0.290 4.250 3.960 -0.001 0.000 0.284 143 G C -0.734 174.317 174.900 0.252 0.000 1.172 143 G CA -0.286 44.912 45.100 0.163 0.000 0.854 143 G HN 0.329 nan 8.290 nan 0.000 0.485 144 D N 1.406 121.928 120.400 0.205 0.000 2.683 144 D HA 0.348 4.987 4.640 -0.001 0.000 0.309 144 D C -0.182 176.163 176.300 0.075 0.000 1.238 144 D CA 0.144 54.246 54.000 0.169 0.000 0.936 144 D CB 1.122 42.058 40.800 0.228 0.000 1.001 144 D HN 0.178 nan 8.370 nan 0.000 0.505 145 T N 0.965 115.543 114.554 0.040 0.000 2.982 145 T HA 0.314 4.663 4.350 -0.001 0.000 0.321 145 T C -0.978 173.704 174.700 -0.031 0.000 1.229 145 T CA -0.594 61.524 62.100 0.030 0.000 1.044 145 T CB 1.819 70.746 68.868 0.097 0.000 1.184 145 T HN -0.003 nan 8.240 nan 0.000 0.477 146 M N 5.946 125.509 119.600 -0.062 0.000 2.131 146 M HA 0.403 4.882 4.480 -0.001 0.000 0.345 146 M C -2.561 173.658 176.300 -0.135 0.000 1.060 146 M CA -2.440 52.794 55.300 -0.110 0.000 1.011 146 M CB 0.902 33.447 32.600 -0.092 0.000 1.328 146 M HN 0.086 nan 8.290 nan 0.000 0.396 147 P HA 0.272 nan 4.420 nan 0.000 0.276 147 P C -1.012 176.151 177.300 -0.228 0.000 1.253 147 P CA 0.071 63.011 63.100 -0.267 0.000 0.766 147 P CB 0.570 31.908 31.700 -0.603 0.000 0.845 148 I N 3.953 124.444 120.570 -0.131 0.000 2.545 148 I HA 0.265 4.435 4.170 -0.001 0.000 0.292 148 I C -0.412 175.662 176.117 -0.072 0.000 1.040 148 I CA -0.827 60.412 61.300 -0.101 0.000 1.068 148 I CB 2.554 40.509 38.000 -0.074 0.000 1.251 148 I HN 0.041 nan 8.210 nan 0.000 0.424 149 V N 6.203 126.075 119.914 -0.070 0.000 2.350 149 V HA 0.445 4.564 4.120 -0.001 0.000 0.285 149 V C 0.093 176.157 176.094 -0.050 0.000 1.014 149 V CA -0.865 61.401 62.300 -0.058 0.000 0.831 149 V CB 1.406 33.190 31.823 -0.065 0.000 1.000 149 V HN 0.496 nan 8.190 nan 0.000 0.433 150 R N 4.068 124.547 120.500 -0.035 0.000 2.345 150 R HA 0.304 4.644 4.340 -0.001 0.000 0.331 150 R C -0.790 175.497 176.300 -0.022 0.000 1.067 150 R CA -0.224 55.864 56.100 -0.019 0.000 0.962 150 R CB 0.523 30.821 30.300 -0.004 0.000 0.987 150 R HN 0.533 nan 8.270 nan 0.000 0.451 151 L N 4.027 125.232 121.223 -0.029 0.000 2.404 151 L HA 0.299 4.638 4.340 -0.001 0.000 0.272 151 L C -0.615 176.276 176.870 0.035 0.000 0.980 151 L CA -0.208 54.600 54.840 -0.053 0.000 0.836 151 L CB 0.744 42.695 42.059 -0.179 0.000 1.238 151 L HN 0.677 nan 8.230 nan 0.000 0.408 152 H N 3.616 122.673 119.070 -0.022 0.000 2.862 152 H HA -0.119 4.437 4.556 -0.001 0.000 0.290 152 H C 1.224 176.539 175.328 -0.021 0.000 1.211 152 H CA 1.039 57.073 56.048 -0.023 0.000 1.140 152 H CB -1.523 28.207 29.762 -0.053 0.000 1.341 152 H HN 1.160 nan 8.280 nan 0.000 0.392 153 G N -2.244 106.611 108.800 0.092 0.000 2.176 153 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.253 153 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.253 153 G C 0.120 175.036 174.900 0.026 0.000 0.979 153 G CA 0.108 45.233 45.100 0.043 0.000 0.641 153 G HN 0.619 nan 8.290 nan 0.000 0.530 154 V N 1.351 121.280 119.914 0.024 0.000 2.417 154 V HA 0.483 4.603 4.120 -0.001 0.000 0.291 154 V C -0.362 175.724 176.094 -0.013 0.000 1.024 154 V CA -1.185 61.116 62.300 0.002 0.000 0.861 154 V CB 1.800 33.621 31.823 -0.004 0.000 0.985 154 V HN 0.188 nan 8.190 nan 0.000 0.436 155 D N 4.554 124.943 120.400 -0.017 0.000 2.339 155 D HA 0.389 5.028 4.640 -0.001 0.000 0.256 155 D C -0.255 176.023 176.300 -0.037 0.000 1.214 155 D CA 0.383 54.366 54.000 -0.028 0.000 0.877 155 D CB 1.134 41.918 40.800 -0.026 0.000 1.111 155 D HN 0.378 nan 8.370 nan 0.000 0.478 156 I N 2.075 122.615 120.570 -0.050 0.000 2.355 156 I HA 0.382 4.552 4.170 -0.001 0.000 0.288 156 I C 0.329 176.397 176.117 -0.082 0.000 0.999 156 I CA -0.870 60.395 61.300 -0.058 0.000 1.163 156 I CB 1.659 39.623 38.000 -0.059 0.000 1.316 156 I HN 0.241 nan 8.210 nan 0.000 0.454 157 A N 7.891 130.660 122.820 -0.084 0.000 2.310 157 A HA 0.844 5.164 4.320 -0.001 0.000 0.299 157 A C -0.578 176.913 177.584 -0.154 0.000 1.147 157 A CA -0.372 51.591 52.037 -0.123 0.000 0.818 157 A CB 0.623 19.567 19.000 -0.094 0.000 1.096 157 A HN 0.709 nan 8.150 nan 0.000 0.495 158 L N 1.177 122.234 121.223 -0.277 0.000 2.362 158 L HA 0.834 5.173 4.340 -0.001 0.000 0.271 158 L C 0.230 176.882 176.870 -0.363 0.000 1.002 158 L CA -0.458 54.180 54.840 -0.337 0.000 0.818 158 L CB 2.025 43.771 42.059 -0.522 0.000 1.298 158 L HN 0.858 nan 8.230 nan 0.000 0.420 159 A N 2.958 125.734 122.820 -0.074 0.000 2.593 159 A HA 0.894 5.214 4.320 -0.001 0.000 0.290 159 A C -1.353 176.333 177.584 0.170 0.000 1.126 159 A CA -0.486 51.598 52.037 0.079 0.000 0.695 159 A CB 1.675 20.688 19.000 0.023 0.000 1.290 159 A HN 0.603 nan 8.150 nan 0.000 0.414 160 I N 0.773 121.422 120.570 0.131 0.000 2.439 160 I HA 0.350 4.520 4.170 -0.001 0.000 0.285 160 I C 0.955 176.991 176.117 -0.136 0.000 1.021 160 I CA -0.530 60.748 61.300 -0.037 0.000 1.091 160 I CB 1.164 39.112 38.000 -0.087 0.000 1.242 160 I HN 1.042 nan 8.210 nan 0.000 0.439 161 C N 4.487 123.652 119.300 -0.225 0.000 5.488 161 C HA -0.362 4.097 4.460 -0.001 0.000 0.311 161 C C 2.493 177.315 174.990 -0.279 0.000 2.332 161 C CA 2.261 61.122 59.018 -0.263 0.000 2.157 161 C CB -1.006 26.526 27.740 -0.347 0.000 3.083 161 C HN 0.960 nan 8.230 nan 0.000 0.264 162 E N 0.882 120.774 120.200 -0.512 0.000 2.401 162 E HA -0.100 4.249 4.350 -0.001 0.000 0.199 162 E C 1.338 177.878 176.600 -0.100 0.000 1.023 162 E CA 1.123 57.097 56.400 -0.711 0.000 0.859 162 E CB -0.270 28.964 29.700 -0.777 0.000 0.780 162 E HN 0.649 nan 8.360 nan 0.000 0.523 163 D N -0.081 120.309 120.400 -0.017 0.000 2.149 163 D HA -0.180 4.459 4.640 -0.001 0.000 0.194 163 D C 1.308 177.676 176.300 0.113 0.000 1.001 163 D CA 0.985 55.047 54.000 0.103 0.000 0.849 163 D CB -0.052 40.809 40.800 0.103 0.000 0.939 163 D HN 0.178 nan 8.370 nan 0.000 0.449 164 L N -0.484 120.826 121.223 0.144 0.000 2.552 164 L HA -0.041 4.299 4.340 -0.001 0.000 0.227 164 L C 1.575 178.669 176.870 0.373 0.000 1.146 164 L CA 0.418 55.398 54.840 0.232 0.000 0.858 164 L CB -0.368 41.855 42.059 0.273 0.000 0.969 164 L HN 0.137 nan 8.230 nan 0.000 0.451 165 W N -0.715 120.634 121.300 0.082 0.000 2.576 165 W HA 0.123 4.782 4.660 -0.001 0.000 0.270 165 W C 1.378 177.869 176.519 -0.047 0.000 1.255 165 W CA -0.472 56.924 57.345 0.086 0.000 1.314 165 W CB -0.576 29.007 29.460 0.205 0.000 1.101 165 W HN 0.115 nan 8.180 nan 0.000 0.595 166 Q N 1.834 121.612 119.800 -0.037 0.000 2.296 166 Q HA 0.026 4.366 4.340 -0.001 0.000 0.262 166 Q C -0.502 175.449 176.000 -0.082 0.000 0.981 166 Q CA 0.063 55.663 55.803 -0.339 0.000 0.905 166 Q CB 0.490 28.810 28.738 -0.695 0.000 1.186 166 Q HN -0.059 nan 8.270 nan 0.000 0.399 167 D N 4.022 124.396 120.400 -0.043 0.000 2.374 167 D HA 0.197 4.836 4.640 -0.001 0.000 0.240 167 D C 0.551 176.852 176.300 0.003 0.000 1.229 167 D CA 0.668 54.667 54.000 -0.002 0.000 0.895 167 D CB 0.891 41.697 40.800 0.009 0.000 1.046 167 D HN 0.952 nan 8.370 nan 0.000 0.498 168 G N 1.892 110.700 108.800 0.014 0.000 2.183 168 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.168 168 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.168 168 G C 0.670 175.600 174.900 0.049 0.000 1.008 168 G CA -0.170 44.949 45.100 0.030 0.000 0.677 168 G HN 0.664 nan 8.290 nan 0.000 0.498 169 G N -0.130 108.701 108.800 0.052 0.000 3.286 169 G HA2 0.436 4.395 3.960 -0.001 0.000 0.173 169 G HA3 0.436 4.395 3.960 -0.001 0.000 0.173 169 G C 1.144 176.069 174.900 0.042 0.000 1.704 169 G CA 0.297 45.459 45.100 0.103 0.000 1.041 169 G HN 0.235 nan 8.290 nan 0.000 0.561 170 R N -0.615 119.916 120.500 0.052 0.000 2.189 170 R HA -0.006 4.334 4.340 -0.001 0.000 0.223 170 R C 2.483 178.781 176.300 -0.003 0.000 1.092 170 R CA 0.469 56.567 56.100 -0.003 0.000 0.989 170 R CB -0.422 29.881 30.300 0.006 0.000 0.876 170 R HN 0.246 nan 8.270 nan 0.000 0.457 171 V N 2.044 121.970 119.914 0.021 0.000 2.270 171 V HA -0.146 3.973 4.120 -0.001 0.000 0.245 171 V C -0.779 175.320 176.094 0.008 0.000 1.043 171 V CA 1.828 64.140 62.300 0.019 0.000 1.014 171 V CB -1.116 30.730 31.823 0.040 0.000 0.645 171 V HN 0.245 nan 8.190 nan 0.000 0.447 172 P HA -0.046 nan 4.420 nan 0.000 0.225 172 P C 1.485 178.780 177.300 -0.007 0.000 1.156 172 P CA 1.719 64.820 63.100 0.003 0.000 0.787 172 P CB 0.024 31.728 31.700 0.008 0.000 0.802 173 A N 0.818 123.629 122.820 -0.016 0.000 1.969 173 A HA -0.004 4.316 4.320 -0.001 0.000 0.218 173 A C 2.449 180.012 177.584 -0.036 0.000 1.169 173 A CA 1.794 53.813 52.037 -0.031 0.000 0.635 173 A CB -1.404 17.565 19.000 -0.052 0.000 0.810 173 A HN 0.220 nan 8.150 nan 0.000 0.445 174 A N -0.358 122.441 122.820 -0.035 0.000 1.933 174 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 174 A C 2.228 179.796 177.584 -0.027 0.000 1.175 174 A CA 1.619 53.632 52.037 -0.039 0.000 0.628 174 A CB -0.455 18.523 19.000 -0.036 0.000 0.814 174 A HN 0.540 nan 8.150 nan 0.000 0.444 175 R N 0.104 120.594 120.500 -0.017 0.000 2.070 175 R HA -0.110 4.230 4.340 -0.001 0.000 0.233 175 R C 2.238 178.530 176.300 -0.013 0.000 1.137 175 R CA 1.864 57.957 56.100 -0.012 0.000 0.945 175 R CB -0.238 30.059 30.300 -0.005 0.000 0.845 175 R HN 0.567 nan 8.270 nan 0.000 0.430 176 S N 0.024 115.715 115.700 -0.014 0.000 2.481 176 S HA -0.011 4.459 4.470 -0.001 0.000 0.231 176 S C 1.696 176.286 174.600 -0.016 0.000 0.996 176 S CA 0.768 58.961 58.200 -0.013 0.000 0.942 176 S CB 0.316 63.509 63.200 -0.011 0.000 0.768 176 S HN 0.459 nan 8.310 nan 0.000 0.520 177 A N 0.981 123.788 122.820 -0.022 0.000 2.218 177 A HA 0.535 4.855 4.320 -0.001 0.000 0.209 177 A C 1.499 179.069 177.584 -0.023 0.000 1.168 177 A CA 0.411 52.432 52.037 -0.026 0.000 0.804 177 A CB -0.763 18.214 19.000 -0.037 0.000 0.834 177 A HN 1.067 nan 8.150 nan 0.000 0.482 178 G N -0.880 107.908 108.800 -0.020 0.000 2.341 178 G HA2 0.169 4.128 3.960 -0.001 0.000 0.278 178 G HA3 0.169 4.128 3.960 -0.001 0.000 0.278 178 G C 0.238 175.126 174.900 -0.019 0.000 1.111 178 G CA 0.269 45.359 45.100 -0.016 0.000 0.982 178 G HN 1.473 nan 8.290 nan 0.000 0.502 179 A N -0.543 122.263 122.820 -0.023 0.000 2.371 179 A HA 0.774 5.094 4.320 -0.001 0.000 0.257 179 A C 1.531 179.104 177.584 -0.018 0.000 1.089 179 A CA 0.960 52.982 52.037 -0.026 0.000 0.794 179 A CB 1.019 19.999 19.000 -0.033 0.000 1.029 179 A HN 1.636 nan 8.150 nan 0.000 0.488 180 G N -0.079 108.710 108.800 -0.019 0.000 2.781 180 G HA2 0.408 4.368 3.960 -0.001 0.000 0.208 180 G HA3 0.408 4.368 3.960 -0.001 0.000 0.208 180 G C -0.188 174.705 174.900 -0.012 0.000 1.099 180 G CA 0.423 45.515 45.100 -0.013 0.000 0.776 180 G HN 0.724 nan 8.290 nan 0.000 0.532 181 L N 0.759 121.971 121.223 -0.018 0.000 2.470 181 L HA 0.701 5.041 4.340 -0.001 0.000 0.268 181 L C -1.815 175.041 176.870 -0.023 0.000 0.964 181 L CA -1.136 53.694 54.840 -0.016 0.000 0.839 181 L CB 2.260 44.308 42.059 -0.018 0.000 1.276 181 L HN -0.076 nan 8.230 nan 0.000 0.403 182 L N 5.725 126.940 121.223 -0.013 0.000 2.265 182 L HA 0.583 4.923 4.340 -0.001 0.000 0.289 182 L C -1.396 175.468 176.870 -0.010 0.000 1.033 182 L CA -0.318 54.513 54.840 -0.016 0.000 0.814 182 L CB 1.216 43.276 42.059 0.000 0.000 1.203 182 L HN 0.673 nan 8.230 nan 0.000 0.423 183 L N 4.948 126.153 121.223 -0.029 0.000 2.276 183 L HA 0.568 4.908 4.340 -0.001 0.000 0.286 183 L C -0.340 176.512 176.870 -0.031 0.000 1.024 183 L CA 0.243 55.068 54.840 -0.026 0.000 0.826 183 L CB 1.172 43.213 42.059 -0.030 0.000 1.211 183 L HN 0.708 nan 8.230 nan 0.000 0.422 184 S N 5.230 120.902 115.700 -0.046 0.000 2.456 184 S HA 0.727 5.197 4.470 -0.001 0.000 0.316 184 S C -0.617 173.854 174.600 -0.215 0.000 1.089 184 S CA -0.551 57.588 58.200 -0.101 0.000 1.101 184 S CB 0.970 64.112 63.200 -0.097 0.000 0.995 184 S HN 0.675 nan 8.310 nan 0.000 0.468 185 V N 3.456 123.263 119.914 -0.177 0.000 2.472 185 V HA 0.713 4.832 4.120 -0.001 0.000 0.290 185 V C -0.446 175.448 176.094 -0.334 0.000 1.037 185 V CA -0.715 61.447 62.300 -0.230 0.000 0.908 185 V CB 1.227 32.978 31.823 -0.120 0.000 0.985 185 V HN 0.892 nan 8.190 nan 0.000 0.454 186 N N 2.741 121.204 118.700 -0.395 0.000 2.242 186 N HA 0.742 5.481 4.740 -0.001 0.000 0.292 186 N C -1.043 174.238 175.510 -0.382 0.000 1.125 186 N CA -0.381 52.417 53.050 -0.421 0.000 0.783 186 N CB 2.522 40.674 38.487 -0.558 0.000 1.558 186 N HN 1.053 nan 8.380 nan 0.000 0.472 187 A N 0.777 123.326 122.820 -0.450 0.000 2.646 187 A HA 0.408 4.728 4.320 -0.001 0.000 0.312 187 A C -0.672 176.890 177.584 -0.037 0.000 1.245 187 A CA -0.520 51.197 52.037 -0.532 0.000 0.755 187 A CB 0.514 18.842 19.000 -1.120 0.000 1.132 187 A HN 0.393 nan 8.150 nan 0.000 0.458 188 S N 4.389 120.277 115.700 0.313 0.000 2.520 188 S HA 0.624 5.094 4.470 -0.001 0.000 0.324 188 S C -2.688 172.296 174.600 0.641 0.000 1.069 188 S CA -1.583 56.920 58.200 0.506 0.000 1.121 188 S CB 0.607 64.067 63.200 0.433 0.000 0.971 188 S HN 0.522 nan 8.310 nan 0.000 0.463 189 P HA 0.050 nan 4.420 nan 0.000 0.268 189 P C -0.635 176.782 177.300 0.194 0.000 1.204 189 P CA -0.227 62.984 63.100 0.184 0.000 0.768 189 P CB 0.172 31.954 31.700 0.137 0.000 0.842 190 Y N 2.284 122.604 120.300 0.034 0.000 2.578 190 Y HA 0.140 4.689 4.550 -0.001 0.000 0.339 190 Y C 0.329 176.266 175.900 0.062 0.000 1.231 190 Y CA 0.291 58.441 58.100 0.083 0.000 1.461 190 Y CB 0.570 39.140 38.460 0.185 0.000 1.323 190 Y HN 0.466 nan 8.280 nan 0.000 0.590 191 E N 5.158 124.859 120.200 -0.831 0.000 2.334 191 E HA 0.214 4.563 4.350 -0.001 0.000 0.280 191 E C -1.408 174.685 176.600 -0.846 0.000 0.899 191 E CA -1.015 54.972 56.400 -0.688 0.000 0.813 191 E CB 0.765 30.298 29.700 -0.278 0.000 1.318 191 E HN 0.725 nan 8.360 nan 0.000 0.399 192 R N 3.144 123.160 120.500 -0.807 0.000 2.484 192 R HA 0.134 4.474 4.340 -0.001 0.000 0.293 192 R C -1.077 175.118 176.300 -0.174 0.000 1.023 192 R CA 0.657 56.554 56.100 -0.338 0.000 1.037 192 R CB 0.527 30.767 30.300 -0.099 0.000 0.951 192 R HN 0.395 nan 8.270 nan 0.000 0.418 193 D N 2.444 122.793 120.400 -0.084 0.000 2.878 193 D HA 0.069 4.709 4.640 -0.001 0.000 0.211 193 D C -0.247 176.044 176.300 -0.015 0.000 1.271 193 D CA -0.558 53.408 54.000 -0.058 0.000 0.845 193 D CB 1.290 42.041 40.800 -0.081 0.000 1.679 193 D HN 0.696 nan 8.370 nan 0.000 0.536 194 K N 1.296 121.690 120.400 -0.011 0.000 2.217 194 K HA 0.040 4.359 4.320 -0.001 0.000 0.202 194 K C 0.198 176.796 176.600 -0.004 0.000 1.051 194 K CA 0.307 56.595 56.287 0.001 0.000 0.952 194 K CB 0.146 32.647 32.500 0.002 0.000 0.736 194 K HN 0.128 nan 8.250 nan 0.000 0.453 195 D N 2.068 122.457 120.400 -0.018 0.000 2.382 195 D HA -0.002 4.637 4.640 -0.001 0.000 0.240 195 D C -0.598 175.690 176.300 -0.020 0.000 1.146 195 D CA 0.010 53.996 54.000 -0.024 0.000 0.897 195 D CB 0.739 41.515 40.800 -0.040 0.000 1.197 195 D HN 0.109 nan 8.370 nan 0.000 0.432 196 D N 0.397 120.784 120.400 -0.021 0.000 2.524 196 D HA 0.032 4.672 4.640 -0.001 0.000 0.222 196 D C 0.992 177.268 176.300 -0.040 0.000 1.142 196 D CA -0.205 53.783 54.000 -0.020 0.000 0.973 196 D CB 0.163 40.955 40.800 -0.013 0.000 1.025 196 D HN 0.308 nan 8.370 nan 0.000 0.519 197 T N 0.924 115.449 114.554 -0.049 0.000 2.867 197 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 197 T C 1.864 176.514 174.700 -0.083 0.000 1.057 197 T CA 0.547 62.605 62.100 -0.071 0.000 1.136 197 T CB 0.175 68.994 68.868 -0.081 0.000 0.874 197 T HN 0.144 nan 8.240 nan 0.000 0.466 198 R N 1.100 121.547 120.500 -0.088 0.000 2.062 198 R HA 0.111 4.451 4.340 -0.001 0.000 0.231 198 R C 2.299 178.503 176.300 -0.161 0.000 1.136 198 R CA 1.300 57.305 56.100 -0.158 0.000 0.948 198 R CB -1.318 28.888 30.300 -0.157 0.000 0.845 198 R HN 0.432 nan 8.270 nan 0.000 0.430 199 L N 1.245 122.409 121.223 -0.098 0.000 2.046 199 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 199 L C 1.891 178.729 176.870 -0.054 0.000 1.077 199 L CA 2.498 57.298 54.840 -0.067 0.000 0.747 199 L CB -0.799 41.241 42.059 -0.033 0.000 0.896 199 L HN 0.504 nan 8.230 nan 0.000 0.432 200 E N -0.712 119.457 120.200 -0.052 0.000 2.152 200 E HA -0.230 4.120 4.350 -0.001 0.000 0.192 200 E C 2.041 178.618 176.600 -0.039 0.000 0.983 200 E CA 1.482 57.857 56.400 -0.042 0.000 0.818 200 E CB -0.965 28.709 29.700 -0.044 0.000 0.758 200 E HN 0.461 nan 8.360 nan 0.000 0.467 201 L N 0.742 121.934 121.223 -0.051 0.000 2.005 201 L HA -0.086 4.254 4.340 -0.001 0.000 0.207 201 L C 2.233 179.107 176.870 0.007 0.000 1.072 201 L CA 1.523 56.350 54.840 -0.023 0.000 0.744 201 L CB -0.399 41.650 42.059 -0.016 0.000 0.895 201 L HN 0.136 nan 8.230 nan 0.000 0.433 202 V N -0.021 119.877 119.914 -0.027 0.000 2.453 202 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 202 V C 2.746 178.849 176.094 0.015 0.000 1.048 202 V CA 1.746 64.050 62.300 0.007 0.000 1.049 202 V CB -0.864 30.934 31.823 -0.042 0.000 0.672 202 V HN 0.484 nan 8.190 nan 0.000 0.457 203 R N 0.782 121.281 120.500 -0.002 0.000 2.082 203 R HA -0.267 4.072 4.340 -0.001 0.000 0.234 203 R C 2.467 178.773 176.300 0.010 0.000 1.136 203 R CA 2.463 58.566 56.100 0.005 0.000 0.935 203 R CB -0.328 29.970 30.300 -0.003 0.000 0.842 203 R HN 0.511 nan 8.270 nan 0.000 0.430 204 K N -0.078 120.327 120.400 0.007 0.000 2.044 204 K HA -0.202 4.118 4.320 -0.001 0.000 0.210 204 K C 2.112 178.724 176.600 0.021 0.000 1.049 204 K CA 1.851 58.144 56.287 0.010 0.000 0.927 204 K CB -0.057 32.445 32.500 0.004 0.000 0.713 204 K HN -0.016 nan 8.250 nan 0.000 0.443 205 R N -0.020 120.501 120.500 0.036 0.000 2.189 205 R HA 0.114 4.454 4.340 -0.001 0.000 0.218 205 R C 1.940 178.265 176.300 0.041 0.000 1.074 205 R CA 1.119 57.248 56.100 0.048 0.000 0.991 205 R CB -0.496 29.853 30.300 0.080 0.000 0.883 205 R HN 0.403 nan 8.270 nan 0.000 0.457 206 A N 0.381 123.222 122.820 0.036 0.000 1.872 206 A HA -0.168 4.151 4.320 -0.001 0.000 0.214 206 A C 1.914 179.510 177.584 0.020 0.000 1.187 206 A CA 1.100 53.154 52.037 0.029 0.000 0.614 206 A CB -0.304 18.713 19.000 0.029 0.000 0.826 206 A HN 0.327 nan 8.150 nan 0.000 0.442 207 Q N -0.640 119.170 119.800 0.017 0.000 2.124 207 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 207 Q C 2.029 178.035 176.000 0.011 0.000 0.977 207 Q CA 1.572 57.382 55.803 0.012 0.000 0.850 207 Q CB -0.174 28.570 28.738 0.009 0.000 0.901 207 Q HN 0.828 nan 8.270 nan 0.000 0.429 208 E N 0.415 120.624 120.200 0.014 0.000 2.077 208 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 208 E C 1.719 178.326 176.600 0.012 0.000 0.989 208 E CA 1.098 57.506 56.400 0.014 0.000 0.800 208 E CB -0.029 29.683 29.700 0.019 0.000 0.746 208 E HN 0.378 nan 8.360 nan 0.000 0.452 209 A N -0.213 122.616 122.820 0.014 0.000 2.072 209 A HA 0.201 4.521 4.320 -0.001 0.000 0.216 209 A C 1.771 179.358 177.584 0.005 0.000 1.156 209 A CA 0.940 52.982 52.037 0.009 0.000 0.701 209 A CB -0.372 18.635 19.000 0.011 0.000 0.816 209 A HN 0.451 nan 8.150 nan 0.000 0.458 210 G N -1.232 107.572 108.800 0.007 0.000 2.176 210 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.252 210 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.252 210 G C 0.308 175.210 174.900 0.003 0.000 1.024 210 G CA 0.817 45.920 45.100 0.005 0.000 0.755 210 G HN 1.922 nan 8.290 nan 0.000 0.507 211 C N -2.818 116.486 119.300 0.005 0.000 3.318 211 C HA 0.842 5.302 4.460 -0.001 0.000 0.322 211 C C 0.587 175.583 174.990 0.009 0.000 1.398 211 C CA -0.182 58.839 59.018 0.004 0.000 1.339 211 C CB 1.193 28.932 27.740 -0.001 0.000 1.668 211 C HN 0.737 nan 8.230 nan 0.000 0.462 212 T N 2.680 117.239 114.554 0.007 0.000 2.928 212 T HA 0.425 4.775 4.350 -0.001 0.000 0.305 212 T C 0.195 174.905 174.700 0.016 0.000 1.035 212 T CA 0.655 62.762 62.100 0.012 0.000 1.145 212 T CB 0.130 69.003 68.868 0.008 0.000 0.963 212 T HN 0.863 nan 8.240 nan 0.000 0.545 213 T N 2.695 117.265 114.554 0.027 0.000 2.809 213 T HA 0.603 4.952 4.350 -0.001 0.000 0.284 213 T C -0.182 174.552 174.700 0.056 0.000 0.992 213 T CA -0.653 61.473 62.100 0.043 0.000 0.957 213 T CB 1.271 70.174 68.868 0.060 0.000 0.942 213 T HN 0.731 nan 8.240 nan 0.000 0.439 214 A N 3.415 126.265 122.820 0.050 0.000 2.276 214 A HA 0.658 4.977 4.320 -0.001 0.000 0.316 214 A C -1.157 176.486 177.584 0.099 0.000 1.229 214 A CA -0.594 51.478 52.037 0.058 0.000 0.851 214 A CB 0.367 19.377 19.000 0.016 0.000 1.165 214 A HN 0.932 nan 8.150 nan 0.000 0.513 215 Y N 3.514 123.806 120.300 -0.013 0.000 2.388 215 Y HA 0.530 5.080 4.550 -0.001 0.000 0.328 215 Y C -0.908 174.974 175.900 -0.030 0.000 0.963 215 Y CA -0.931 57.164 58.100 -0.008 0.000 1.240 215 Y CB 1.138 39.606 38.460 0.014 0.000 1.118 215 Y HN 0.642 nan 8.280 nan 0.000 0.484 216 L N 6.382 127.547 121.223 -0.097 0.000 2.282 216 L HA 0.856 5.196 4.340 -0.001 0.000 0.288 216 L C -0.938 175.830 176.870 -0.169 0.000 1.033 216 L CA -0.274 54.511 54.840 -0.093 0.000 0.807 216 L CB 0.927 42.904 42.059 -0.137 0.000 1.209 216 L HN 0.668 nan 8.230 nan 0.000 0.423 217 A N 5.641 128.432 122.820 -0.048 0.000 2.365 217 A HA 0.653 4.973 4.320 -0.001 0.000 0.318 217 A C -0.299 177.234 177.584 -0.085 0.000 1.091 217 A CA -0.760 51.253 52.037 -0.040 0.000 0.763 217 A CB 0.967 20.074 19.000 0.178 0.000 1.248 217 A HN 0.860 nan 8.150 nan 0.000 0.442 218 M N 2.500 122.009 119.600 -0.152 0.000 2.252 218 M HA 0.294 4.774 4.480 -0.001 0.000 0.321 218 M C -0.412 175.877 176.300 -0.019 0.000 1.070 218 M CA 0.617 55.809 55.300 -0.180 0.000 1.143 218 M CB 0.225 32.565 32.600 -0.434 0.000 1.498 218 M HN 0.678 nan 8.290 nan 0.000 0.445 219 I N 2.893 123.473 120.570 0.017 0.000 2.689 219 I HA 0.835 5.005 4.170 -0.001 0.000 0.299 219 I C -0.247 176.001 176.117 0.218 0.000 1.059 219 I CA 0.466 61.846 61.300 0.133 0.000 1.055 219 I CB 1.529 39.564 38.000 0.059 0.000 1.243 219 I HN 0.870 nan 8.210 nan 0.000 0.425 220 G N 4.003 112.994 108.800 0.318 0.000 2.371 220 G HA2 0.268 4.228 3.960 -0.001 0.000 0.663 220 G HA3 0.268 4.228 3.960 -0.001 0.000 0.663 220 G C -0.908 174.216 174.900 0.374 0.000 1.311 220 G CA -0.328 44.954 45.100 0.304 0.000 0.985 220 G HN 1.067 nan 8.290 nan 0.000 0.566 221 G N -1.032 107.933 108.800 0.275 0.000 2.452 221 G HA2 0.689 4.648 3.960 -0.001 0.000 0.324 221 G HA3 0.689 4.648 3.960 -0.001 0.000 0.324 221 G C -0.737 174.318 174.900 0.259 0.000 1.214 221 G CA -0.121 45.117 45.100 0.230 0.000 0.947 221 G HN 0.870 nan 8.290 nan 0.000 0.478 222 Q N 2.057 122.016 119.800 0.265 0.000 2.303 222 Q HA 0.405 4.745 4.340 -0.001 0.000 0.267 222 Q C 0.240 176.384 176.000 0.239 0.000 1.011 222 Q CA -0.239 55.727 55.803 0.272 0.000 0.740 222 Q CB 0.729 29.690 28.738 0.372 0.000 1.250 222 Q HN 0.656 nan 8.270 nan 0.000 0.458 223 D N 1.955 122.523 120.400 0.279 0.000 3.608 223 D HA -0.302 4.337 4.640 -0.001 0.000 0.152 223 D C 0.416 176.893 176.300 0.294 0.000 0.971 223 D CA 1.900 56.102 54.000 0.337 0.000 1.072 223 D CB -0.351 40.599 40.800 0.251 0.000 0.507 223 D HN 0.772 nan 8.370 nan 0.000 0.520 224 E N 0.165 120.479 120.200 0.190 0.000 2.150 224 E HA -0.037 4.313 4.350 -0.001 0.000 0.193 224 E C 0.666 177.310 176.600 0.073 0.000 0.985 224 E CA 0.468 56.933 56.400 0.108 0.000 0.814 224 E CB 0.004 29.728 29.700 0.041 0.000 0.752 224 E HN 0.296 nan 8.360 nan 0.000 0.466 225 L N 0.893 122.145 121.223 0.049 0.000 2.439 225 L HA 0.248 4.587 4.340 -0.001 0.000 0.261 225 L C -0.039 176.757 176.870 -0.124 0.000 1.153 225 L CA -0.515 54.281 54.840 -0.073 0.000 0.808 225 L CB 0.929 42.891 42.059 -0.162 0.000 1.126 225 L HN -0.178 nan 8.230 nan 0.000 0.460 226 V N 1.103 120.898 119.914 -0.198 0.000 2.760 226 V HA 0.390 4.509 4.120 -0.001 0.000 0.309 226 V C -0.814 175.153 176.094 -0.211 0.000 1.077 226 V CA -0.477 61.767 62.300 -0.093 0.000 0.910 226 V CB 1.969 33.882 31.823 0.151 0.000 1.008 226 V HN 0.367 nan 8.190 nan 0.000 0.424 227 F N 3.395 123.497 119.950 0.253 0.000 2.404 227 F HA 0.354 4.881 4.527 -0.001 0.000 0.354 227 F C 1.327 177.169 175.800 0.070 0.000 1.122 227 F CA -0.677 57.432 58.000 0.181 0.000 1.080 227 F CB 1.326 40.409 39.000 0.138 0.000 1.131 227 F HN 0.722 nan 8.300 nan 0.000 0.471 228 D N 1.218 121.655 120.400 0.062 0.000 2.317 228 D HA 0.125 4.764 4.640 -0.001 0.000 0.211 228 D C 1.463 177.505 176.300 -0.431 0.000 0.966 228 D CA 1.049 54.698 54.000 -0.585 0.000 0.876 228 D CB -0.034 40.442 40.800 -0.539 0.000 0.927 228 D HN 0.738 nan 8.370 nan 0.000 0.519 229 G N 1.826 110.573 108.800 -0.088 0.000 2.559 229 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.282 229 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.282 229 G C 0.134 175.014 174.900 -0.034 0.000 1.177 229 G CA 0.666 45.735 45.100 -0.053 0.000 0.960 229 G HN 0.568 nan 8.290 nan 0.000 0.540 230 D N 0.067 120.428 120.400 -0.065 0.000 2.723 230 D HA -0.098 4.541 4.640 -0.001 0.000 0.236 230 D C 0.565 176.874 176.300 0.014 0.000 1.138 230 D CA 1.632 55.609 54.000 -0.038 0.000 0.676 230 D CB -1.375 39.386 40.800 -0.065 0.000 1.069 230 D HN 1.002 nan 8.370 nan 0.000 0.430 231 S N -0.018 115.705 115.700 0.038 0.000 2.552 231 S HA 0.396 4.865 4.470 -0.001 0.000 0.289 231 S C 0.789 175.418 174.600 0.048 0.000 1.304 231 S CA 0.063 58.315 58.200 0.086 0.000 1.063 231 S CB 0.595 63.815 63.200 0.034 0.000 0.848 231 S HN 0.369 nan 8.310 nan 0.000 0.499 232 I N 0.685 121.298 120.570 0.072 0.000 2.828 232 I HA 0.612 4.782 4.170 -0.001 0.000 0.302 232 I C -0.947 175.198 176.117 0.047 0.000 1.101 232 I CA -1.278 60.038 61.300 0.025 0.000 1.031 232 I CB 1.888 39.878 38.000 -0.018 0.000 1.231 232 I HN 0.197 nan 8.210 nan 0.000 0.427 233 V N 4.645 124.566 119.914 0.012 0.000 2.495 233 V HA 0.594 4.713 4.120 -0.001 0.000 0.298 233 V C -0.279 175.823 176.094 0.013 0.000 1.031 233 V CA -0.686 61.623 62.300 0.014 0.000 0.871 233 V CB 2.162 33.979 31.823 -0.010 0.000 0.988 233 V HN 0.513 nan 8.190 nan 0.000 0.432 234 V N 3.716 123.645 119.914 0.026 0.000 2.760 234 V HA 0.428 4.548 4.120 -0.001 0.000 0.309 234 V C -0.687 175.422 176.094 0.026 0.000 1.077 234 V CA -0.763 61.554 62.300 0.028 0.000 0.910 234 V CB 2.420 34.259 31.823 0.026 0.000 1.008 234 V HN 1.119 nan 8.190 nan 0.000 0.424 235 D N 3.309 123.725 120.400 0.026 0.000 2.411 235 D HA 0.230 4.870 4.640 -0.001 0.000 0.251 235 D C 1.245 177.556 176.300 0.019 0.000 1.201 235 D CA -0.583 53.430 54.000 0.021 0.000 0.996 235 D CB 0.615 41.428 40.800 0.021 0.000 1.101 235 D HN 0.436 nan 8.370 nan 0.000 0.504 236 R N -0.120 120.388 120.500 0.014 0.000 2.178 236 R HA -0.239 4.101 4.340 -0.001 0.000 0.257 236 R C 0.471 176.778 176.300 0.012 0.000 1.163 236 R CA 2.218 58.325 56.100 0.011 0.000 0.981 236 R CB -0.559 29.745 30.300 0.008 0.000 0.878 236 R HN 0.541 nan 8.270 nan 0.000 0.454 237 D N -1.802 118.606 120.400 0.013 0.000 2.363 237 D HA 0.178 4.818 4.640 -0.001 0.000 0.214 237 D C 0.626 176.934 176.300 0.014 0.000 1.093 237 D CA 0.854 54.862 54.000 0.012 0.000 0.837 237 D CB 0.893 41.700 40.800 0.011 0.000 0.948 237 D HN 0.552 nan 8.370 nan 0.000 0.507 238 G N 1.700 110.510 108.800 0.017 0.000 2.157 238 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.239 238 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.239 238 G C 0.212 175.127 174.900 0.024 0.000 0.982 238 G CA -0.176 44.934 45.100 0.018 0.000 0.650 238 G HN 0.237 nan 8.290 nan 0.000 0.527 239 E N 0.049 120.268 120.200 0.032 0.000 2.313 239 E HA 0.558 4.907 4.350 -0.001 0.000 0.272 239 E C 0.659 177.301 176.600 0.070 0.000 1.038 239 E CA -0.447 55.982 56.400 0.048 0.000 0.863 239 E CB 1.356 31.085 29.700 0.048 0.000 1.060 239 E HN 0.331 nan 8.360 nan 0.000 0.402 240 V N 5.299 125.280 119.914 0.112 0.000 2.415 240 V HA 0.011 4.130 4.120 -0.001 0.000 0.267 240 V C 1.124 177.323 176.094 0.176 0.000 1.042 240 V CA -0.118 62.276 62.300 0.156 0.000 1.000 240 V CB 0.689 32.661 31.823 0.248 0.000 1.015 240 V HN 0.641 nan 8.190 nan 0.000 0.478 241 V N 3.865 123.802 119.914 0.039 0.000 2.273 241 V HA 0.218 4.338 4.120 -0.001 0.000 0.242 241 V C 1.031 176.958 176.094 -0.279 0.000 1.035 241 V CA 1.771 64.042 62.300 -0.048 0.000 1.013 241 V CB -0.240 31.564 31.823 -0.032 0.000 0.652 241 V HN 0.956 nan 8.190 nan 0.000 0.452 242 A N -0.166 122.508 122.820 -0.243 0.000 2.556 242 A HA 0.894 5.214 4.320 -0.001 0.000 0.294 242 A C -0.747 176.736 177.584 -0.168 0.000 1.091 242 A CA -0.702 51.127 52.037 -0.346 0.000 0.704 242 A CB 2.009 20.876 19.000 -0.221 0.000 1.300 242 A HN 0.320 nan 8.150 nan 0.000 0.406 243 R N 0.364 120.784 120.500 -0.133 0.000 2.515 243 R HA 0.658 4.998 4.340 -0.001 0.000 0.278 243 R C -0.635 175.665 176.300 -0.001 0.000 1.107 243 R CA 0.382 56.471 56.100 -0.019 0.000 0.945 243 R CB 1.378 31.712 30.300 0.057 0.000 1.219 243 R HN 1.524 nan 8.270 nan 0.000 0.434 244 A N 4.997 127.819 122.820 0.003 0.000 2.271 244 A HA 0.707 5.027 4.320 -0.001 0.000 0.288 244 A C -2.237 175.358 177.584 0.019 0.000 1.094 244 A CA -1.599 50.444 52.037 0.010 0.000 0.828 244 A CB 0.078 19.077 19.000 -0.002 0.000 1.091 244 A HN 0.675 nan 8.150 nan 0.000 0.493 245 P HA 0.192 nan 4.420 nan 0.000 0.274 245 P C -1.058 176.240 177.300 -0.004 0.000 1.237 245 P CA -0.162 62.961 63.100 0.038 0.000 0.793 245 P CB 0.440 32.181 31.700 0.068 0.000 0.977 246 Q N 0.664 120.455 119.800 -0.015 0.000 2.304 246 Q HA 0.275 4.615 4.340 -0.001 0.000 0.260 246 Q C -0.424 175.570 176.000 -0.010 0.000 0.965 246 Q CA -0.034 55.667 55.803 -0.170 0.000 0.898 246 Q CB -0.162 28.493 28.738 -0.139 0.000 1.196 246 Q HN 0.294 nan 8.270 nan 0.000 0.402 247 F N -0.495 119.465 119.950 0.017 0.000 3.043 247 F HA -0.269 4.257 4.527 -0.001 0.000 0.290 247 F C -0.293 175.531 175.800 0.040 0.000 0.844 247 F CA 0.482 58.489 58.000 0.012 0.000 1.184 247 F CB -2.010 36.968 39.000 -0.036 0.000 1.246 247 F HN 0.344 nan 8.300 nan 0.000 0.536 248 S N -1.064 114.729 115.700 0.156 0.000 2.540 248 S HA 0.447 4.917 4.470 -0.001 0.000 0.275 248 S C -0.364 174.294 174.600 0.097 0.000 1.123 248 S CA -1.067 57.215 58.200 0.137 0.000 0.907 248 S CB 2.575 65.853 63.200 0.130 0.000 1.081 248 S HN 0.242 nan 8.310 nan 0.000 0.476 249 E N 0.564 120.833 120.200 0.115 0.000 2.392 249 E HA 0.519 4.868 4.350 -0.001 0.000 0.264 249 E C 0.228 176.923 176.600 0.157 0.000 1.024 249 E CA 0.266 56.725 56.400 0.099 0.000 0.903 249 E CB 0.620 30.440 29.700 0.200 0.000 0.963 249 E HN 0.793 nan 8.360 nan 0.000 0.432 250 G N 1.130 109.982 108.800 0.087 0.000 2.387 250 G HA2 0.366 4.326 3.960 -0.001 0.000 0.294 250 G HA3 0.366 4.326 3.960 -0.001 0.000 0.294 250 G C -1.215 173.739 174.900 0.089 0.000 1.509 250 G CA -0.482 44.730 45.100 0.188 0.000 0.806 250 G HN 0.777 nan 8.290 nan 0.000 0.546 251 C N -0.704 118.723 119.300 0.212 0.000 2.529 251 C HA 0.902 5.362 4.460 -0.001 0.000 0.329 251 C C -0.126 174.904 174.990 0.066 0.000 1.194 251 C CA -1.110 57.988 59.018 0.133 0.000 1.779 251 C CB 0.956 28.864 27.740 0.280 0.000 2.322 251 C HN 0.728 nan 8.230 nan 0.000 0.500 252 V N 2.892 122.813 119.914 0.011 0.000 2.349 252 V HA 0.465 4.584 4.120 -0.001 0.000 0.284 252 V C -0.285 175.810 176.094 0.003 0.000 1.014 252 V CA -0.197 62.105 62.300 0.002 0.000 0.826 252 V CB 1.099 32.909 31.823 -0.023 0.000 1.009 252 V HN 0.833 nan 8.190 nan 0.000 0.431 253 V N 7.127 127.056 119.914 0.025 0.000 2.370 253 V HA 0.658 4.778 4.120 -0.001 0.000 0.283 253 V C -0.191 175.921 176.094 0.030 0.000 1.023 253 V CA -0.430 61.887 62.300 0.029 0.000 0.857 253 V CB 1.368 33.218 31.823 0.046 0.000 0.985 253 V HN 0.796 nan 8.190 nan 0.000 0.443 254 L N 1.389 122.632 121.223 0.034 0.000 2.479 254 L HA 0.840 5.179 4.340 -0.001 0.000 0.255 254 L C -1.366 175.547 176.870 0.072 0.000 1.026 254 L CA -0.780 54.082 54.840 0.037 0.000 0.842 254 L CB 2.822 44.881 42.059 -0.001 0.000 1.444 254 L HN 0.326 nan 8.230 nan 0.000 0.409 255 D N 2.390 122.836 120.400 0.078 0.000 2.192 255 D HA 0.684 5.324 4.640 -0.001 0.000 0.246 255 D C -0.771 175.556 176.300 0.045 0.000 1.042 255 D CA -0.051 54.011 54.000 0.104 0.000 0.847 255 D CB 2.811 43.681 40.800 0.117 0.000 1.186 255 D HN 0.438 nan 8.370 nan 0.000 0.461 256 L N 1.237 122.485 121.223 0.042 0.000 2.354 256 L HA 0.380 4.720 4.340 -0.001 0.000 0.264 256 L C -0.526 176.343 176.870 -0.003 0.000 1.008 256 L CA -1.034 53.814 54.840 0.013 0.000 0.819 256 L CB 2.128 44.195 42.059 0.014 0.000 1.339 256 L HN 0.107 nan 8.230 nan 0.000 0.420 257 D N 3.483 123.877 120.400 -0.011 0.000 2.349 257 D HA 0.589 5.228 4.640 -0.001 0.000 0.232 257 D C -0.735 175.559 176.300 -0.010 0.000 1.071 257 D CA -0.017 53.972 54.000 -0.019 0.000 0.832 257 D CB 1.917 42.702 40.800 -0.024 0.000 1.086 257 D HN 0.213 nan 8.370 nan 0.000 0.504 258 L N 3.160 124.377 121.223 -0.009 0.000 2.386 258 L HA 0.425 4.765 4.340 -0.001 0.000 0.271 258 L C -2.357 174.509 176.870 -0.006 0.000 0.993 258 L CA -2.120 52.717 54.840 -0.006 0.000 0.819 258 L CB 2.610 44.666 42.059 -0.004 0.000 1.294 258 L HN 0.030 nan 8.230 nan 0.000 0.414 259 P HA 0.076 nan 4.420 nan 0.000 0.268 259 P C -0.557 176.741 177.300 -0.003 0.000 1.205 259 P CA -0.238 62.859 63.100 -0.005 0.000 0.771 259 P CB 0.918 32.615 31.700 -0.005 0.000 0.858 260 A N 2.854 125.673 122.820 -0.002 0.000 2.445 260 A HA 0.476 4.796 4.320 -0.001 0.000 0.242 260 A C 0.601 178.184 177.584 -0.001 0.000 1.075 260 A CA -0.129 51.908 52.037 0.000 0.000 0.777 260 A CB -0.256 18.745 19.000 0.001 0.000 1.013 260 A HN 0.648 nan 8.150 nan 0.000 0.493 261 A N 1.541 124.361 122.820 -0.000 0.000 2.340 261 A HA 0.513 4.833 4.320 -0.001 0.000 0.268 261 A C 0.283 177.866 177.584 -0.002 0.000 1.100 261 A CA -0.371 51.665 52.037 -0.003 0.000 0.803 261 A CB 0.004 19.001 19.000 -0.004 0.000 1.043 261 A HN 0.887 nan 8.150 nan 0.000 0.488 262 E N 1.433 121.631 120.200 -0.004 0.000 2.493 262 E HA 0.269 4.619 4.350 -0.001 0.000 0.255 262 E C 1.108 177.707 176.600 -0.001 0.000 0.999 262 E CA 0.790 57.188 56.400 -0.003 0.000 0.934 262 E CB 0.625 30.323 29.700 -0.004 0.000 0.940 262 E HN 0.670 nan 8.360 nan 0.000 0.473 263 A N 5.294 128.114 122.820 -0.000 0.000 2.070 263 A HA -0.102 4.218 4.320 -0.001 0.000 0.220 263 A C 0.323 177.908 177.584 0.001 0.000 1.159 263 A CA 1.007 53.045 52.037 0.001 0.000 0.656 263 A CB 0.060 19.061 19.000 0.002 0.000 0.800 263 A HN 0.533 nan 8.150 nan 0.000 0.453 264 E N 0.916 121.116 120.200 -0.000 0.000 2.751 264 E HA 0.281 4.630 4.350 -0.001 0.000 0.219 264 E C -2.738 173.861 176.600 -0.002 0.000 1.060 264 E CA -1.701 54.699 56.400 -0.000 0.000 0.893 264 E CB 0.774 30.474 29.700 0.000 0.000 1.300 264 E HN 0.417 nan 8.360 nan 0.000 0.433 265 P HA 0.385 nan 4.420 nan 0.000 0.281 265 P C -2.507 174.789 177.300 -0.006 0.000 1.249 265 P CA -1.633 61.464 63.100 -0.005 0.000 0.810 265 P CB 0.168 31.864 31.700 -0.007 0.000 1.008 266 P HA 0.213 nan 4.420 nan 0.000 0.269 266 P C -0.163 177.132 177.300 -0.009 0.000 1.215 266 P CA 0.110 63.205 63.100 -0.008 0.000 0.780 266 P CB 0.209 31.903 31.700 -0.010 0.000 0.898 267 T N -1.902 112.648 114.554 -0.006 0.000 2.916 267 T HA 0.719 5.069 4.350 -0.001 0.000 0.292 267 T C 0.248 174.945 174.700 -0.005 0.000 1.064 267 T CA -0.026 62.070 62.100 -0.006 0.000 1.011 267 T CB 1.464 70.331 68.868 -0.002 0.000 1.152 267 T HN 0.780 nan 8.240 nan 0.000 0.510 268 G N 0.237 109.035 108.800 -0.004 0.000 2.693 268 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.226 268 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.226 268 G C -0.287 174.610 174.900 -0.006 0.000 1.354 268 G CA -0.521 44.577 45.100 -0.002 0.000 0.873 268 G HN 1.513 nan 8.290 nan 0.000 0.562 269 V N 0.212 120.125 119.914 -0.003 0.000 2.694 269 V HA 0.344 4.464 4.120 -0.001 0.000 0.306 269 V C 1.388 177.476 176.094 -0.009 0.000 1.054 269 V CA 0.825 63.123 62.300 -0.005 0.000 1.161 269 V CB 0.773 32.596 31.823 0.001 0.000 0.916 269 V HN 0.874 nan 8.190 nan 0.000 0.490 270 V N 3.239 123.144 119.914 -0.016 0.000 5.502 270 V HA 0.261 4.380 4.120 -0.001 0.000 0.283 270 V C 1.047 177.132 176.094 -0.015 0.000 1.523 270 V CA -0.191 62.099 62.300 -0.018 0.000 0.749 270 V CB 1.118 32.926 31.823 -0.026 0.000 1.393 270 V HN 0.828 nan 8.190 nan 0.000 0.425 271 D N 0.359 120.748 120.400 -0.018 0.000 2.104 271 D HA -0.175 4.464 4.640 -0.001 0.000 0.194 271 D C 1.382 177.685 176.300 0.005 0.000 0.994 271 D CA 1.701 55.698 54.000 -0.005 0.000 0.830 271 D CB 0.140 40.937 40.800 -0.004 0.000 0.959 271 D HN 0.538 nan 8.370 nan 0.000 0.452 272 D N -1.827 118.568 120.400 -0.010 0.000 2.349 272 D HA 0.105 4.745 4.640 -0.001 0.000 0.214 272 D C 1.001 177.322 176.300 0.036 0.000 1.063 272 D CA 0.628 54.648 54.000 0.033 0.000 0.847 272 D CB 0.723 41.561 40.800 0.064 0.000 0.933 272 D HN 0.290 nan 8.370 nan 0.000 0.513 273 G N 0.742 109.543 108.800 0.002 0.000 2.151 273 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.140 273 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.140 273 G C 0.055 174.952 174.900 -0.005 0.000 1.020 273 G CA -0.201 44.906 45.100 0.013 0.000 0.688 273 G HN 0.232 nan 8.290 nan 0.000 0.500 274 L N 1.286 122.480 121.223 -0.048 0.000 2.281 274 L HA 0.529 4.869 4.340 -0.001 0.000 0.285 274 L C 1.190 178.040 176.870 -0.034 0.000 1.074 274 L CA -0.697 54.104 54.840 -0.066 0.000 0.817 274 L CB 0.802 42.775 42.059 -0.144 0.000 1.168 274 L HN 0.064 nan 8.230 nan 0.000 0.434 275 R N 2.921 123.413 120.500 -0.012 0.000 2.438 275 R HA 0.371 4.711 4.340 -0.001 0.000 0.287 275 R C -0.320 175.971 176.300 -0.015 0.000 1.077 275 R CA -0.443 55.654 56.100 -0.006 0.000 1.034 275 R CB 0.803 31.109 30.300 0.010 0.000 0.993 275 R HN 0.536 nan 8.270 nan 0.000 0.459 276 I N 2.536 123.095 120.570 -0.018 0.000 2.517 276 I HA -0.065 4.105 4.170 -0.001 0.000 0.285 276 I C 0.308 176.415 176.117 -0.016 0.000 1.106 276 I CA 0.425 61.709 61.300 -0.026 0.000 1.402 276 I CB 0.465 38.450 38.000 -0.025 0.000 1.399 276 I HN 0.371 nan 8.210 nan 0.000 0.535 277 D N 8.237 128.624 120.400 -0.022 0.000 2.473 277 D HA 0.190 4.829 4.640 -0.001 0.000 0.226 277 D C -0.000 176.290 176.300 -0.016 0.000 1.089 277 D CA -0.455 53.542 54.000 -0.006 0.000 0.883 277 D CB 0.579 41.387 40.800 0.014 0.000 1.029 277 D HN 0.349 nan 8.370 nan 0.000 0.517 278 R N 2.170 122.664 120.500 -0.010 0.000 2.539 278 R HA 0.458 4.797 4.340 -0.001 0.000 0.275 278 R C -0.379 175.920 176.300 -0.003 0.000 1.077 278 R CA -0.664 55.428 56.100 -0.012 0.000 1.097 278 R CB 1.305 31.600 30.300 -0.007 0.000 1.018 278 R HN 0.327 nan 8.270 nan 0.000 0.483 279 L N 1.887 123.105 121.223 -0.009 0.000 2.528 279 L HA 0.254 4.594 4.340 -0.001 0.000 0.267 279 L C -1.384 175.479 176.870 -0.011 0.000 0.961 279 L CA -0.464 54.375 54.840 -0.002 0.000 0.866 279 L CB 2.216 44.276 42.059 0.002 0.000 1.248 279 L HN 0.300 nan 8.230 nan 0.000 0.404 280 V N 7.180 127.095 119.914 0.001 0.000 2.270 280 V HA 0.251 4.371 4.120 -0.001 0.000 0.263 280 V C 1.103 177.199 176.094 0.004 0.000 1.066 280 V CA -0.106 62.196 62.300 0.003 0.000 0.857 280 V CB 0.524 32.355 31.823 0.014 0.000 1.099 280 V HN 0.820 nan 8.190 nan 0.000 0.476 281 I N 2.414 122.966 120.570 -0.030 0.000 2.162 281 I HA -0.040 4.129 4.170 -0.001 0.000 0.238 281 I C 1.006 177.150 176.117 0.045 0.000 1.076 281 I CA 1.478 62.749 61.300 -0.049 0.000 1.353 281 I CB 0.201 38.072 38.000 -0.216 0.000 1.063 281 I HN 0.559 nan 8.210 nan 0.000 0.408 282 S N -0.292 115.453 115.700 0.076 0.000 2.707 282 S HA 0.241 4.711 4.470 -0.001 0.000 0.303 282 S C 0.399 175.045 174.600 0.077 0.000 1.132 282 S CA -0.568 57.702 58.200 0.117 0.000 1.046 282 S CB 1.982 65.335 63.200 0.255 0.000 1.004 282 S HN 0.126 nan 8.310 nan 0.000 0.483 283 E N 2.513 122.741 120.200 0.047 0.000 2.158 283 E HA -0.009 4.340 4.350 -0.001 0.000 0.191 283 E C 0.052 176.667 176.600 0.024 0.000 0.982 283 E CA 0.912 57.330 56.400 0.030 0.000 0.823 283 E CB 0.256 29.969 29.700 0.021 0.000 0.766 283 E HN 0.710 nan 8.360 nan 0.000 0.468 284 E N 1.443 121.653 120.200 0.018 0.000 2.313 284 E HA 0.158 4.508 4.350 -0.001 0.000 0.276 284 E C -2.280 174.310 176.600 -0.017 0.000 1.031 284 E CA -2.041 54.357 56.400 -0.003 0.000 0.857 284 E CB 0.962 30.653 29.700 -0.014 0.000 1.040 284 E HN 0.118 nan 8.360 nan 0.000 0.408 285 P HA -0.041 nan 4.420 nan 0.000 0.269 285 P C -0.646 176.607 177.300 -0.078 0.000 1.215 285 P CA -0.268 62.819 63.100 -0.021 0.000 0.780 285 P CB 0.421 32.116 31.700 -0.008 0.000 0.898 286 L N 4.990 126.154 121.223 -0.098 0.000 2.371 286 L HA 0.415 4.755 4.340 -0.001 0.000 0.272 286 L C -2.052 174.801 176.870 -0.028 0.000 1.124 286 L CA -1.840 52.907 54.840 -0.156 0.000 0.816 286 L CB -0.396 41.572 42.059 -0.151 0.000 1.129 286 L HN 0.305 nan 8.230 nan 0.000 0.448 287 P HA 0.126 nan 4.420 nan 0.000 0.264 287 P C -0.852 176.518 177.300 0.118 0.000 1.193 287 P CA -0.227 62.897 63.100 0.040 0.000 0.763 287 P CB 0.429 32.151 31.700 0.036 0.000 0.810 288 A N 3.956 126.829 122.820 0.088 0.000 2.483 288 A HA 0.433 4.752 4.320 -0.001 0.000 0.238 288 A C -0.147 177.536 177.584 0.165 0.000 1.070 288 A CA 0.190 52.276 52.037 0.082 0.000 0.770 288 A CB -0.427 18.574 19.000 0.002 0.000 1.008 288 A HN 0.683 nan 8.150 nan 0.000 0.497 289 Y N -1.371 118.943 120.300 0.022 0.000 2.689 289 Y HA 0.638 5.188 4.550 -0.001 0.000 0.333 289 Y C -0.404 175.516 175.900 0.033 0.000 1.190 289 Y CA -1.183 56.939 58.100 0.036 0.000 1.063 289 Y CB 0.917 39.416 38.460 0.065 0.000 1.294 289 Y HN 0.654 nan 8.280 nan 0.000 0.466 290 E N 1.569 121.847 120.200 0.130 0.000 2.104 290 E HA 0.462 4.812 4.350 -0.001 0.000 0.278 290 E C -0.530 176.082 176.600 0.021 0.000 1.127 290 E CA -0.227 56.191 56.400 0.031 0.000 0.897 290 E CB 0.454 30.208 29.700 0.090 0.000 1.043 290 E HN 0.785 nan 8.360 nan 0.000 0.410 291 A N 5.861 128.585 122.820 -0.160 0.000 2.981 291 A HA 0.020 4.339 4.320 -0.001 0.000 0.280 291 A C 0.987 178.579 177.584 0.014 0.000 1.743 291 A CA -0.297 51.684 52.037 -0.094 0.000 1.430 291 A CB -0.278 18.612 19.000 -0.183 0.000 1.085 291 A HN 0.835 nan 8.150 nan 0.000 0.597 292 E N 1.729 121.975 120.200 0.077 0.000 2.299 292 E HA 0.015 4.365 4.350 -0.001 0.000 0.193 292 E C -0.088 176.546 176.600 0.057 0.000 0.998 292 E CA 0.263 56.700 56.400 0.062 0.000 0.851 292 E CB -0.136 29.607 29.700 0.072 0.000 0.795 292 E HN 0.654 nan 8.360 nan 0.000 0.492 293 L N 1.040 122.307 121.223 0.072 0.000 2.282 293 L HA 0.458 4.797 4.340 -0.001 0.000 0.288 293 L C 0.499 177.390 176.870 0.035 0.000 1.033 293 L CA -0.365 54.509 54.840 0.056 0.000 0.807 293 L CB 1.772 43.872 42.059 0.069 0.000 1.209 293 L HN 0.030 nan 8.230 nan 0.000 0.423 294 A N 1.801 124.628 122.820 0.011 0.000 2.382 294 A HA 0.531 4.850 4.320 -0.001 0.000 0.228 294 A C 1.388 178.929 177.584 -0.071 0.000 1.217 294 A CA 0.542 52.566 52.037 -0.021 0.000 0.923 294 A CB 0.391 19.382 19.000 -0.014 0.000 0.979 294 A HN 1.013 nan 8.150 nan 0.000 0.515 295 G N -1.011 107.759 108.800 -0.050 0.000 2.420 295 G HA2 0.238 4.197 3.960 -0.001 0.000 0.221 295 G HA3 0.238 4.197 3.960 -0.001 0.000 0.221 295 G C 1.558 176.401 174.900 -0.095 0.000 1.117 295 G CA 0.583 45.642 45.100 -0.069 0.000 0.657 295 G HN 2.495 nan 8.290 nan 0.000 0.512 296 G N -1.306 107.387 108.800 -0.179 0.000 2.705 296 G HA2 0.214 4.173 3.960 -0.001 0.000 0.686 296 G HA3 0.214 4.173 3.960 -0.001 0.000 0.686 296 G C -0.525 174.234 174.900 -0.234 0.000 1.285 296 G CA 0.020 45.033 45.100 -0.146 0.000 0.800 296 G HN 1.474 nan 8.290 nan 0.000 0.611 297 Y N 0.801 121.118 120.300 0.028 0.000 2.595 297 Y HA 0.581 5.130 4.550 -0.001 0.000 0.336 297 Y C 1.148 177.066 175.900 0.030 0.000 0.996 297 Y CA -0.006 58.110 58.100 0.026 0.000 1.260 297 Y CB 0.926 39.399 38.460 0.022 0.000 1.108 297 Y HN 0.981 nan 8.280 nan 0.000 0.509 298 A N 2.694 125.593 122.820 0.132 0.000 2.483 298 A HA 0.080 4.400 4.320 -0.001 0.000 0.238 298 A C 0.063 177.712 177.584 0.109 0.000 1.070 298 A CA -0.648 51.452 52.037 0.104 0.000 0.770 298 A CB 0.149 19.195 19.000 0.075 0.000 1.008 298 A HN 0.670 nan 8.150 nan 0.000 0.497 299 D N 2.190 122.647 120.400 0.095 0.000 2.425 299 D HA 0.114 4.754 4.640 -0.001 0.000 0.247 299 D C 0.278 176.628 176.300 0.083 0.000 1.147 299 D CA 0.228 54.280 54.000 0.086 0.000 0.879 299 D CB 0.496 41.344 40.800 0.081 0.000 1.179 299 D HN 0.349 nan 8.370 nan 0.000 0.456 300 R N 1.634 122.178 120.500 0.075 0.000 2.694 300 R HA 0.308 4.647 4.340 -0.001 0.000 0.268 300 R C 0.222 176.568 176.300 0.078 0.000 1.061 300 R CA -0.375 55.767 56.100 0.071 0.000 1.133 300 R CB 0.446 30.781 30.300 0.057 0.000 1.020 300 R HN 0.380 nan 8.270 nan 0.000 0.475 301 L N 2.040 123.313 121.223 0.082 0.000 2.343 301 L HA 0.242 4.582 4.340 -0.001 0.000 0.275 301 L C 0.983 177.880 176.870 0.046 0.000 1.056 301 L CA -0.809 54.077 54.840 0.077 0.000 0.804 301 L CB 1.006 43.121 42.059 0.093 0.000 1.203 301 L HN 0.637 nan 8.230 nan 0.000 0.440 302 D N 1.812 122.224 120.400 0.020 0.000 2.358 302 D HA 0.120 4.760 4.640 -0.001 0.000 0.244 302 D C 0.877 177.130 176.300 -0.078 0.000 1.163 302 D CA -0.138 53.856 54.000 -0.010 0.000 0.945 302 D CB 1.765 42.575 40.800 0.016 0.000 1.152 302 D HN 0.584 nan 8.370 nan 0.000 0.451 303 A N 1.717 124.505 122.820 -0.054 0.000 1.927 303 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 303 A C 1.722 179.219 177.584 -0.144 0.000 1.185 303 A CA 1.933 53.940 52.037 -0.050 0.000 0.639 303 A CB -0.497 18.494 19.000 -0.015 0.000 0.820 303 A HN 0.707 nan 8.150 nan 0.000 0.451 304 D N -1.196 119.029 120.400 -0.293 0.000 2.123 304 D HA -0.121 4.519 4.640 -0.001 0.000 0.200 304 D C 1.943 177.700 176.300 -0.905 0.000 0.976 304 D CA 1.409 55.093 54.000 -0.527 0.000 0.831 304 D CB -0.303 40.112 40.800 -0.641 0.000 0.974 304 D HN 0.753 nan 8.370 nan 0.000 0.469 305 E N 1.069 120.635 120.200 -1.055 0.000 2.077 305 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 305 E C 1.994 178.350 176.600 -0.406 0.000 0.989 305 E CA 0.845 56.674 56.400 -0.951 0.000 0.800 305 E CB 0.127 29.608 29.700 -0.364 0.000 0.746 305 E HN 0.229 nan 8.360 nan 0.000 0.452 306 E N 0.010 120.077 120.200 -0.223 0.000 2.051 306 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 306 E C 2.122 178.585 176.600 -0.229 0.000 0.991 306 E CA 1.527 57.886 56.400 -0.070 0.000 0.799 306 E CB 0.092 29.855 29.700 0.106 0.000 0.748 306 E HN 0.184 nan 8.360 nan 0.000 0.449 307 V N 0.504 120.339 119.914 -0.131 0.000 2.261 307 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 307 V C 2.218 178.188 176.094 -0.207 0.000 1.047 307 V CA 2.135 64.381 62.300 -0.091 0.000 1.015 307 V CB -0.813 31.012 31.823 0.005 0.000 0.642 307 V HN 0.403 nan 8.190 nan 0.000 0.446 308 Y N 1.196 121.301 120.300 -0.325 0.000 2.165 308 Y HA -0.276 4.274 4.550 -0.001 0.000 0.286 308 Y C 2.803 178.536 175.900 -0.278 0.000 1.155 308 Y CA 2.004 59.956 58.100 -0.248 0.000 1.164 308 Y CB -0.218 38.099 38.460 -0.238 0.000 0.978 308 Y HN 0.213 nan 8.280 nan 0.000 0.513 309 S N 0.155 115.695 115.700 -0.266 0.000 2.359 309 S HA -0.284 4.186 4.470 -0.001 0.000 0.224 309 S C 2.262 176.364 174.600 -0.831 0.000 1.035 309 S CA 1.168 59.084 58.200 -0.473 0.000 1.018 309 S CB -0.882 61.996 63.200 -0.538 0.000 0.876 309 S HN 0.643 nan 8.310 nan 0.000 0.448 310 A N 1.590 123.688 122.820 -1.202 0.000 1.908 310 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 310 A C 2.121 179.474 177.584 -0.384 0.000 1.181 310 A CA 1.289 52.764 52.037 -0.938 0.000 0.627 310 A CB -0.814 17.733 19.000 -0.755 0.000 0.818 310 A HN 0.468 nan 8.150 nan 0.000 0.445 311 L N -0.656 120.363 121.223 -0.339 0.000 2.046 311 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 311 L C 2.527 179.262 176.870 -0.226 0.000 1.077 311 L CA 1.155 55.850 54.840 -0.242 0.000 0.747 311 L CB -0.749 41.126 42.059 -0.307 0.000 0.896 311 L HN 0.255 nan 8.230 nan 0.000 0.432 312 V N -0.560 119.173 119.914 -0.302 0.000 2.270 312 V HA -0.229 3.891 4.120 -0.001 0.000 0.245 312 V C 2.460 178.497 176.094 -0.094 0.000 1.043 312 V CA 1.511 63.698 62.300 -0.189 0.000 1.014 312 V CB -0.173 31.566 31.823 -0.141 0.000 0.645 312 V HN 0.175 nan 8.190 nan 0.000 0.447 313 V N 0.908 120.760 119.914 -0.103 0.000 2.332 313 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 313 V C 2.625 178.733 176.094 0.023 0.000 1.055 313 V CA 2.185 64.480 62.300 -0.008 0.000 1.038 313 V CB -1.525 30.322 31.823 0.040 0.000 0.651 313 V HN 0.619 nan 8.190 nan 0.000 0.450 314 G N -0.002 108.804 108.800 0.011 0.000 2.459 314 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.217 314 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.217 314 G C 1.579 176.480 174.900 0.003 0.000 1.183 314 G CA 1.334 46.478 45.100 0.074 0.000 0.776 314 G HN 0.440 nan 8.290 nan 0.000 0.552 315 L N 0.692 121.907 121.223 -0.015 0.000 2.056 315 L HA 0.089 4.429 4.340 -0.001 0.000 0.207 315 L C 2.758 179.570 176.870 -0.096 0.000 1.078 315 L CA 2.262 57.029 54.840 -0.121 0.000 0.749 315 L CB -0.648 41.406 42.059 -0.009 0.000 0.901 315 L HN 0.287 nan 8.230 nan 0.000 0.433 316 R N -0.498 119.986 120.500 -0.026 0.000 2.091 316 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 316 R C 2.092 178.405 176.300 0.022 0.000 1.136 316 R CA 1.544 57.651 56.100 0.011 0.000 0.959 316 R CB -0.401 29.918 30.300 0.031 0.000 0.856 316 R HN 0.490 nan 8.270 nan 0.000 0.437 317 A N -0.261 122.576 122.820 0.029 0.000 1.930 317 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 317 A C 1.999 179.603 177.584 0.032 0.000 1.175 317 A CA 1.082 53.152 52.037 0.054 0.000 0.627 317 A CB -0.773 18.285 19.000 0.097 0.000 0.815 317 A HN 0.606 nan 8.150 nan 0.000 0.443 318 Y N 0.253 120.440 120.300 -0.190 0.000 2.224 318 Y HA -0.175 4.375 4.550 -0.001 0.000 0.289 318 Y C 2.350 178.170 175.900 -0.133 0.000 1.146 318 Y CA 1.903 59.846 58.100 -0.261 0.000 1.182 318 Y CB 0.041 38.051 38.460 -0.750 0.000 0.983 318 Y HN 0.110 nan 8.280 nan 0.000 0.524 319 V N -0.343 119.568 119.914 -0.004 0.000 2.283 319 V HA -0.253 3.867 4.120 -0.001 0.000 0.243 319 V C 2.549 178.697 176.094 0.090 0.000 1.039 319 V CA 1.679 64.009 62.300 0.050 0.000 1.016 319 V CB -1.412 30.452 31.823 0.067 0.000 0.650 319 V HN 0.488 nan 8.190 nan 0.000 0.449 320 A N 0.078 122.933 122.820 0.059 0.000 1.877 320 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 320 A C 2.154 179.759 177.584 0.036 0.000 1.186 320 A CA 1.698 53.770 52.037 0.058 0.000 0.620 320 A CB -0.387 18.646 19.000 0.056 0.000 0.822 320 A HN 0.547 nan 8.150 nan 0.000 0.443 321 K N -0.154 120.256 120.400 0.017 0.000 2.487 321 K HA 0.063 4.383 4.320 -0.001 0.000 0.192 321 K C 0.228 176.812 176.600 -0.026 0.000 1.027 321 K CA 0.307 56.597 56.287 0.004 0.000 1.054 321 K CB 0.012 32.524 32.500 0.020 0.000 0.824 321 K HN 0.334 nan 8.250 nan 0.000 0.510 322 N N 0.188 118.873 118.700 -0.025 0.000 2.230 322 N HA 0.031 4.771 4.740 -0.001 0.000 0.202 322 N C 0.892 176.385 175.510 -0.029 0.000 1.119 322 N CA 0.647 53.697 53.050 0.000 0.000 0.851 322 N CB 1.453 39.942 38.487 0.004 0.000 0.990 322 N HN 0.382 nan 8.380 nan 0.000 0.497 323 G N 0.488 109.252 108.800 -0.061 0.000 2.217 323 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.246 323 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.246 323 G C 0.039 174.808 174.900 -0.218 0.000 0.990 323 G CA -0.301 44.685 45.100 -0.190 0.000 0.627 323 G HN 0.247 nan 8.290 nan 0.000 0.522 324 F N 0.151 120.079 119.950 -0.037 0.000 2.380 324 F HA 0.647 5.174 4.527 -0.001 0.000 0.325 324 F C 1.675 177.485 175.800 0.017 0.000 1.136 324 F CA 0.151 58.145 58.000 -0.010 0.000 1.171 324 F CB 0.995 39.991 39.000 -0.007 0.000 1.230 324 F HN -0.003 nan 8.300 nan 0.000 0.554 325 R N 0.103 120.749 120.500 0.244 0.000 2.287 325 R HA 0.195 4.535 4.340 -0.001 0.000 0.197 325 R C -0.032 176.393 176.300 0.210 0.000 0.900 325 R CA 0.435 56.641 56.100 0.177 0.000 1.052 325 R CB 0.540 30.922 30.300 0.137 0.000 1.117 325 R HN 0.592 nan 8.270 nan 0.000 0.568 326 S N 0.186 116.046 115.700 0.266 0.000 2.570 326 S HA 0.564 5.034 4.470 -0.001 0.000 0.286 326 S C -0.841 173.893 174.600 0.223 0.000 1.099 326 S CA -0.578 57.794 58.200 0.287 0.000 0.913 326 S CB 1.852 65.306 63.200 0.424 0.000 1.085 326 S HN 0.122 nan 8.310 nan 0.000 0.480 327 V N 1.703 121.709 119.914 0.153 0.000 2.960 327 V HA 0.902 5.021 4.120 -0.001 0.000 0.315 327 V C -1.220 174.874 176.094 -0.001 0.000 1.087 327 V CA -0.956 61.390 62.300 0.076 0.000 0.982 327 V CB 1.546 33.409 31.823 0.067 0.000 1.039 327 V HN 0.802 nan 8.190 nan 0.000 0.437 328 L N 3.154 124.379 121.223 0.004 0.000 2.376 328 L HA 0.768 5.108 4.340 -0.001 0.000 0.275 328 L C -0.975 175.921 176.870 0.043 0.000 0.987 328 L CA -0.178 54.657 54.840 -0.009 0.000 0.828 328 L CB 1.352 43.409 42.059 -0.003 0.000 1.249 328 L HN 0.740 nan 8.230 nan 0.000 0.409 329 I N 4.332 124.942 120.570 0.067 0.000 2.436 329 I HA 0.516 4.686 4.170 -0.001 0.000 0.289 329 I C 0.616 176.808 176.117 0.124 0.000 1.010 329 I CA -0.689 60.663 61.300 0.087 0.000 1.098 329 I CB 2.043 40.093 38.000 0.083 0.000 1.266 329 I HN 0.734 nan 8.210 nan 0.000 0.434 330 G N 6.957 115.851 108.800 0.157 0.000 2.364 330 G HA2 0.512 4.472 3.960 -0.001 0.000 0.267 330 G HA3 0.512 4.472 3.960 -0.001 0.000 0.267 330 G C -0.509 174.597 174.900 0.344 0.000 1.233 330 G CA -0.343 44.922 45.100 0.274 0.000 0.885 330 G HN 0.477 nan 8.290 nan 0.000 0.490 331 L N 2.826 124.272 121.223 0.372 0.000 2.298 331 L HA 0.256 4.596 4.340 -0.001 0.000 0.284 331 L C 1.275 178.174 176.870 0.048 0.000 1.013 331 L CA -0.642 54.311 54.840 0.188 0.000 0.824 331 L CB 1.967 44.165 42.059 0.233 0.000 1.221 331 L HN 0.713 nan 8.230 nan 0.000 0.418 332 S N 0.430 115.918 115.700 -0.354 0.000 2.517 332 S HA 0.169 4.638 4.470 -0.001 0.000 0.214 332 S C 1.366 175.821 174.600 -0.241 0.000 0.991 332 S CA 0.370 58.215 58.200 -0.592 0.000 0.906 332 S CB 0.606 63.243 63.200 -0.939 0.000 0.789 332 S HN 1.003 nan 8.310 nan 0.000 0.513 333 G N 0.633 109.352 108.800 -0.134 0.000 2.225 333 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.254 333 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.254 333 G C 0.540 175.401 174.900 -0.065 0.000 0.988 333 G CA -0.060 44.991 45.100 -0.081 0.000 0.625 333 G HN 1.099 nan 8.290 nan 0.000 0.527 334 G N -0.473 108.264 108.800 -0.106 0.000 2.634 334 G HA2 0.495 4.455 3.960 -0.001 0.000 0.255 334 G HA3 0.495 4.455 3.960 -0.001 0.000 0.255 334 G C 1.125 175.994 174.900 -0.050 0.000 1.205 334 G CA 0.182 45.242 45.100 -0.067 0.000 0.884 334 G HN 0.731 nan 8.290 nan 0.000 0.549 335 I N -0.352 120.194 120.570 -0.040 0.000 2.394 335 I HA -0.062 4.107 4.170 -0.001 0.000 0.251 335 I C 1.930 177.985 176.117 -0.104 0.000 1.136 335 I CA 1.370 62.633 61.300 -0.061 0.000 1.425 335 I CB -0.161 37.785 38.000 -0.090 0.000 1.079 335 I HN 0.444 nan 8.210 nan 0.000 0.425 336 D N 0.132 120.457 120.400 -0.125 0.000 2.078 336 D HA -0.177 4.463 4.640 -0.001 0.000 0.193 336 D C 2.515 178.781 176.300 -0.057 0.000 0.990 336 D CA 2.011 55.946 54.000 -0.108 0.000 0.827 336 D CB -0.567 40.174 40.800 -0.099 0.000 0.975 336 D HN 0.495 nan 8.370 nan 0.000 0.451 337 S N 0.726 116.395 115.700 -0.050 0.000 2.382 337 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 337 S C 2.184 176.784 174.600 -0.001 0.000 1.027 337 S CA 1.325 59.514 58.200 -0.018 0.000 0.991 337 S CB -0.500 62.681 63.200 -0.032 0.000 0.823 337 S HN 0.264 nan 8.310 nan 0.000 0.469 338 A N 1.854 124.667 122.820 -0.012 0.000 1.902 338 A HA 0.053 4.373 4.320 -0.001 0.000 0.217 338 A C 2.246 179.847 177.584 0.028 0.000 1.181 338 A CA 1.624 53.663 52.037 0.004 0.000 0.623 338 A CB -0.900 18.099 19.000 -0.001 0.000 0.818 338 A HN 0.510 nan 8.150 nan 0.000 0.443 339 L N -0.230 121.007 121.223 0.024 0.000 2.093 339 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 339 L C 2.381 179.286 176.870 0.058 0.000 1.085 339 L CA 1.664 56.543 54.840 0.065 0.000 0.755 339 L CB -0.437 41.647 42.059 0.041 0.000 0.904 339 L HN 0.150 nan 8.230 nan 0.000 0.435 340 V N -0.053 119.874 119.914 0.023 0.000 2.295 340 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 340 V C 2.787 178.902 176.094 0.035 0.000 1.049 340 V CA 1.595 63.906 62.300 0.018 0.000 1.024 340 V CB -1.260 30.573 31.823 0.018 0.000 0.648 340 V HN 0.592 nan 8.190 nan 0.000 0.447 341 A N -0.024 122.822 122.820 0.043 0.000 1.908 341 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 341 A C 2.415 180.034 177.584 0.057 0.000 1.181 341 A CA 2.291 54.356 52.037 0.047 0.000 0.627 341 A CB -0.790 18.234 19.000 0.040 0.000 0.818 341 A HN 0.585 nan 8.150 nan 0.000 0.445 342 A N -0.163 122.705 122.820 0.081 0.000 1.898 342 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 342 A C 2.117 179.808 177.584 0.178 0.000 1.181 342 A CA 1.491 53.607 52.037 0.133 0.000 0.620 342 A CB -0.603 18.503 19.000 0.176 0.000 0.819 342 A HN 0.494 nan 8.150 nan 0.000 0.442 343 I N -0.128 120.509 120.570 0.112 0.000 2.226 343 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 343 I C 2.932 179.048 176.117 -0.002 0.000 1.100 343 I CA 1.095 62.369 61.300 -0.044 0.000 1.374 343 I CB -0.289 37.592 38.000 -0.198 0.000 1.057 343 I HN 0.352 nan 8.210 nan 0.000 0.413 344 A N -0.297 122.538 122.820 0.024 0.000 1.933 344 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 344 A C 2.409 180.021 177.584 0.046 0.000 1.175 344 A CA 1.750 53.808 52.037 0.035 0.000 0.628 344 A CB -1.132 17.894 19.000 0.043 0.000 0.814 344 A HN 0.551 nan 8.150 nan 0.000 0.444 345 C N -0.428 118.905 119.300 0.054 0.000 2.457 345 C HA -0.043 4.417 4.460 -0.001 0.000 0.278 345 C C 2.222 177.250 174.990 0.064 0.000 1.309 345 C CA 0.910 59.958 59.018 0.051 0.000 1.735 345 C CB -0.984 26.782 27.740 0.044 0.000 1.992 345 C HN 0.593 nan 8.230 nan 0.000 0.493 346 D N 1.012 121.468 120.400 0.092 0.000 2.183 346 D HA -0.024 4.616 4.640 -0.001 0.000 0.203 346 D C 2.207 178.554 176.300 0.077 0.000 0.969 346 D CA 1.431 55.497 54.000 0.109 0.000 0.842 346 D CB -0.325 40.597 40.800 0.203 0.000 0.957 346 D HN 0.516 nan 8.370 nan 0.000 0.484 347 A N 0.053 122.904 122.820 0.051 0.000 1.898 347 A HA 0.044 4.364 4.320 -0.001 0.000 0.214 347 A C 2.095 179.709 177.584 0.050 0.000 1.183 347 A CA 0.773 52.832 52.037 0.037 0.000 0.622 347 A CB -0.151 18.857 19.000 0.013 0.000 0.824 347 A HN 0.215 nan 8.150 nan 0.000 0.444 348 L N -2.378 118.878 121.223 0.055 0.000 2.840 348 L HA 0.443 4.782 4.340 -0.001 0.000 0.249 348 L C 0.918 177.825 176.870 0.061 0.000 1.119 348 L CA 0.255 55.133 54.840 0.063 0.000 0.930 348 L CB 0.122 42.226 42.059 0.075 0.000 1.295 348 L HN 0.530 nan 8.230 nan 0.000 0.534 349 G N 0.319 109.150 108.800 0.052 0.000 2.712 349 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.686 349 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.686 349 G C 0.517 175.433 174.900 0.026 0.000 1.181 349 G CA -0.291 44.834 45.100 0.040 0.000 0.762 349 G HN 0.123 nan 8.290 nan 0.000 0.641 350 A N 0.916 123.741 122.820 0.008 0.000 2.019 350 A HA -0.011 4.309 4.320 -0.001 0.000 0.219 350 A C 2.324 179.870 177.584 -0.064 0.000 1.164 350 A CA 2.456 54.480 52.037 -0.021 0.000 0.644 350 A CB -0.360 18.626 19.000 -0.023 0.000 0.805 350 A HN 1.076 nan 8.150 nan 0.000 0.449 351 Q N 0.525 120.299 119.800 -0.042 0.000 2.170 351 Q HA -0.093 4.247 4.340 -0.001 0.000 0.203 351 Q C 1.170 177.134 176.000 -0.061 0.000 0.976 351 Q CA 1.522 57.287 55.803 -0.063 0.000 0.858 351 Q CB -0.260 28.481 28.738 0.004 0.000 0.907 351 Q HN 0.629 nan 8.270 nan 0.000 0.433 352 N N -0.011 118.710 118.700 0.035 0.000 2.336 352 N HA 0.053 4.793 4.740 -0.001 0.000 0.189 352 N C -0.483 175.144 175.510 0.194 0.000 1.113 352 N CA 0.149 53.306 53.050 0.179 0.000 0.858 352 N CB 1.106 39.690 38.487 0.161 0.000 0.970 352 N HN 0.154 nan 8.380 nan 0.000 0.471 353 V N 0.393 120.317 119.914 0.016 0.000 2.417 353 V HA 0.454 4.574 4.120 -0.001 0.000 0.291 353 V C -1.543 174.480 176.094 -0.119 0.000 1.024 353 V CA -0.699 61.622 62.300 0.035 0.000 0.861 353 V CB 0.853 32.694 31.823 0.031 0.000 0.985 353 V HN 0.027 nan 8.190 nan 0.000 0.436 354 Y N 4.458 124.690 120.300 -0.114 0.000 2.331 354 Y HA 0.755 5.304 4.550 -0.001 0.000 0.334 354 Y C 0.798 176.670 175.900 -0.046 0.000 0.960 354 Y CA -0.343 57.685 58.100 -0.120 0.000 1.130 354 Y CB 2.364 40.624 38.460 -0.332 0.000 1.164 354 Y HN 0.876 nan 8.280 nan 0.000 0.458 355 G N 1.910 110.798 108.800 0.146 0.000 2.388 355 G HA2 0.594 4.554 3.960 -0.001 0.000 0.330 355 G HA3 0.594 4.554 3.960 -0.001 0.000 0.330 355 G C -1.571 173.394 174.900 0.109 0.000 1.142 355 G CA -0.644 44.567 45.100 0.185 0.000 0.908 355 G HN 0.421 nan 8.290 nan 0.000 0.473 356 V N 1.055 121.025 119.914 0.092 0.000 2.483 356 V HA 0.467 4.587 4.120 -0.001 0.000 0.297 356 V C 0.132 176.271 176.094 0.074 0.000 1.027 356 V CA -0.847 61.442 62.300 -0.018 0.000 0.855 356 V CB 1.591 33.407 31.823 -0.012 0.000 0.995 356 V HN 0.761 nan 8.190 nan 0.000 0.424 357 S N 5.840 121.533 115.700 -0.010 0.000 2.475 357 S HA 0.655 5.125 4.470 -0.001 0.000 0.281 357 S C -0.284 174.355 174.600 0.064 0.000 1.198 357 S CA -0.471 57.821 58.200 0.154 0.000 1.063 357 S CB 0.323 63.665 63.200 0.236 0.000 0.972 357 S HN 0.670 nan 8.310 nan 0.000 0.486 358 M N 7.243 126.909 119.600 0.110 0.000 2.182 358 M HA 0.342 4.821 4.480 -0.001 0.000 0.285 358 M C -2.564 173.747 176.300 0.019 0.000 0.956 358 M CA -1.877 53.400 55.300 -0.038 0.000 0.878 358 M CB 1.644 34.091 32.600 -0.255 0.000 1.373 358 M HN 0.391 nan 8.290 nan 0.000 0.393 359 P HA 0.313 nan 4.420 nan 0.000 0.282 359 P C -0.476 176.825 177.300 0.002 0.000 1.249 359 P CA -0.392 62.736 63.100 0.047 0.000 0.806 359 P CB 1.539 33.265 31.700 0.043 0.000 0.984 360 S N 0.557 116.248 115.700 -0.014 0.000 2.738 360 S HA 0.223 4.693 4.470 -0.001 0.000 0.284 360 S C 1.344 175.927 174.600 -0.028 0.000 1.146 360 S CA -0.645 57.512 58.200 -0.072 0.000 0.997 360 S CB 0.448 63.561 63.200 -0.145 0.000 1.081 360 S HN 0.426 nan 8.310 nan 0.000 0.553 361 K N -0.045 120.342 120.400 -0.021 0.000 2.057 361 K HA -0.071 4.249 4.320 -0.001 0.000 0.207 361 K C 0.906 177.529 176.600 0.038 0.000 1.049 361 K CA 1.608 57.924 56.287 0.049 0.000 0.931 361 K CB -0.234 32.358 32.500 0.154 0.000 0.714 361 K HN 0.749 nan 8.250 nan 0.000 0.440 362 Y N 1.035 121.282 120.300 -0.088 0.000 2.457 362 Y HA 0.068 4.618 4.550 -0.001 0.000 0.263 362 Y C 0.517 176.389 175.900 -0.047 0.000 1.164 362 Y CA -0.532 57.534 58.100 -0.057 0.000 1.274 362 Y CB 0.641 39.065 38.460 -0.060 0.000 1.097 362 Y HN 0.023 nan 8.280 nan 0.000 0.523 363 S N 0.192 115.923 115.700 0.053 0.000 2.564 363 S HA 0.220 4.689 4.470 -0.001 0.000 0.278 363 S C 0.592 175.185 174.600 -0.012 0.000 1.333 363 S CA -0.578 57.633 58.200 0.017 0.000 1.048 363 S CB 1.232 64.442 63.200 0.016 0.000 0.900 363 S HN 0.316 nan 8.310 nan 0.000 0.505 364 S N 1.537 117.215 115.700 -0.037 0.000 2.633 364 S HA 0.196 4.666 4.470 -0.001 0.000 0.257 364 S C 0.091 174.662 174.600 -0.048 0.000 1.265 364 S CA -0.278 57.902 58.200 -0.033 0.000 0.980 364 S CB 0.090 63.278 63.200 -0.020 0.000 1.017 364 S HN 0.761 nan 8.310 nan 0.000 0.577 365 D N -0.467 119.940 120.400 0.013 0.000 2.392 365 D HA 0.015 4.654 4.640 -0.001 0.000 0.206 365 D C 1.644 177.973 176.300 0.048 0.000 1.046 365 D CA 0.591 54.606 54.000 0.026 0.000 0.865 365 D CB -0.329 40.496 40.800 0.042 0.000 0.969 365 D HN 0.849 nan 8.370 nan 0.000 0.509 366 H N 0.044 119.117 119.070 0.005 0.000 2.512 366 H HA 0.195 4.750 4.556 -0.001 0.000 0.279 366 H C 1.432 176.761 175.328 0.002 0.000 0.999 366 H CA 0.643 56.692 56.048 0.001 0.000 1.283 366 H CB 0.042 29.803 29.762 -0.001 0.000 1.421 366 H HN -0.162 nan 8.280 nan 0.000 0.554 367 S N 1.187 116.601 115.700 -0.477 0.000 2.348 367 S HA -0.108 4.362 4.470 -0.001 0.000 0.221 367 S C 2.075 176.620 174.600 -0.092 0.000 1.033 367 S CA 1.299 59.322 58.200 -0.296 0.000 1.010 367 S CB -0.038 63.002 63.200 -0.266 0.000 0.891 367 S HN 0.406 nan 8.310 nan 0.000 0.442 368 K N 0.569 120.947 120.400 -0.037 0.000 2.057 368 K HA -0.055 4.265 4.320 -0.001 0.000 0.207 368 K C 2.306 178.932 176.600 0.043 0.000 1.049 368 K CA 1.140 57.455 56.287 0.047 0.000 0.931 368 K CB -0.527 32.003 32.500 0.050 0.000 0.714 368 K HN 0.393 nan 8.250 nan 0.000 0.440 369 G N 0.942 109.751 108.800 0.015 0.000 2.404 369 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.215 369 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.215 369 G C 1.074 175.955 174.900 -0.032 0.000 1.174 369 G CA 0.964 46.067 45.100 0.005 0.000 0.780 369 G HN 0.244 nan 8.290 nan 0.000 0.537 370 D N 0.956 121.345 120.400 -0.019 0.000 2.178 370 D HA -0.014 4.625 4.640 -0.001 0.000 0.202 370 D C 2.811 179.059 176.300 -0.085 0.000 0.974 370 D CA 1.020 54.999 54.000 -0.034 0.000 0.841 370 D CB -0.212 40.591 40.800 0.005 0.000 0.953 370 D HN 0.293 nan 8.370 nan 0.000 0.478 371 A N 1.419 124.190 122.820 -0.081 0.000 1.858 371 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 371 A C 2.380 179.685 177.584 -0.465 0.000 1.190 371 A CA 2.356 54.320 52.037 -0.121 0.000 0.617 371 A CB -0.810 18.248 19.000 0.097 0.000 0.827 371 A HN 0.237 nan 8.150 nan 0.000 0.443 372 A N -0.866 121.635 122.820 -0.532 0.000 1.940 372 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 372 A C 2.017 179.347 177.584 -0.423 0.000 1.176 372 A CA 1.742 53.333 52.037 -0.743 0.000 0.631 372 A CB -0.511 18.306 19.000 -0.305 0.000 0.814 372 A HN 0.530 nan 8.150 nan 0.000 0.446 373 E N -0.507 119.550 120.200 -0.238 0.000 2.049 373 E HA -0.225 4.124 4.350 -0.001 0.000 0.198 373 E C 2.034 178.540 176.600 -0.156 0.000 1.007 373 E CA 1.655 57.964 56.400 -0.151 0.000 0.809 373 E CB -0.400 29.247 29.700 -0.088 0.000 0.749 373 E HN 0.558 nan 8.360 nan 0.000 0.450 374 L N 0.773 121.896 121.223 -0.166 0.000 2.042 374 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 374 L C 2.266 179.048 176.870 -0.146 0.000 1.076 374 L CA 2.319 57.084 54.840 -0.125 0.000 0.749 374 L CB -0.629 41.373 42.059 -0.095 0.000 0.893 374 L HN 0.050 nan 8.230 nan 0.000 0.432 375 A N -0.176 122.489 122.820 -0.259 0.000 1.883 375 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 375 A C 2.436 179.932 177.584 -0.147 0.000 1.186 375 A CA 2.041 53.939 52.037 -0.232 0.000 0.624 375 A CB -0.670 18.036 19.000 -0.489 0.000 0.822 375 A HN 0.533 nan 8.150 nan 0.000 0.444 376 R N -0.436 119.965 120.500 -0.165 0.000 2.091 376 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 376 R C 2.177 178.435 176.300 -0.070 0.000 1.136 376 R CA 1.824 57.864 56.100 -0.100 0.000 0.959 376 R CB -0.298 29.944 30.300 -0.096 0.000 0.856 376 R HN 0.718 nan 8.270 nan 0.000 0.437 377 R N -0.282 120.175 120.500 -0.072 0.000 2.297 377 R HA 0.068 4.408 4.340 -0.001 0.000 0.197 377 R C 1.447 177.721 176.300 -0.044 0.000 0.943 377 R CA 1.231 57.299 56.100 -0.053 0.000 1.038 377 R CB 0.053 30.323 30.300 -0.050 0.000 0.957 377 R HN 0.197 nan 8.270 nan 0.000 0.484 378 T N -3.317 111.209 114.554 -0.045 0.000 3.034 378 T HA 0.270 4.620 4.350 -0.001 0.000 0.248 378 T C 1.431 176.114 174.700 -0.029 0.000 1.040 378 T CA 0.396 62.478 62.100 -0.031 0.000 1.107 378 T CB 0.621 69.475 68.868 -0.024 0.000 0.932 378 T HN 0.346 nan 8.240 nan 0.000 0.474 379 G N 1.281 110.060 108.800 -0.036 0.000 2.141 379 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.195 379 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.195 379 G C -0.295 174.575 174.900 -0.051 0.000 1.012 379 G CA -0.097 44.981 45.100 -0.036 0.000 0.696 379 G HN 0.628 nan 8.290 nan 0.000 0.508 380 L N 0.784 121.978 121.223 -0.047 0.000 2.395 380 L HA 0.495 4.835 4.340 -0.001 0.000 0.269 380 L C 0.299 177.133 176.870 -0.060 0.000 1.133 380 L CA -0.794 54.012 54.840 -0.057 0.000 0.812 380 L CB 0.582 42.636 42.059 -0.009 0.000 1.125 380 L HN 0.167 nan 8.230 nan 0.000 0.452 381 N N 4.125 122.713 118.700 -0.187 0.000 2.448 381 N HA 0.085 4.825 4.740 -0.001 0.000 0.250 381 N C -0.891 174.639 175.510 0.033 0.000 1.136 381 N CA 0.046 52.984 53.050 -0.186 0.000 0.953 381 N CB 0.158 38.260 38.487 -0.641 0.000 1.251 381 N HN 0.295 nan 8.380 nan 0.000 0.502 382 F N 3.166 123.087 119.950 -0.047 0.000 2.399 382 F HA 0.447 4.973 4.527 -0.001 0.000 0.334 382 F C 0.539 176.357 175.800 0.031 0.000 1.097 382 F CA -0.899 57.102 58.000 0.000 0.000 1.076 382 F CB 0.904 39.903 39.000 -0.003 0.000 1.162 382 F HN 0.382 nan 8.300 nan 0.000 0.495 383 R N 2.253 122.287 120.500 -0.775 0.000 2.734 383 R HA 0.673 5.012 4.340 -0.001 0.000 0.271 383 R C -2.011 173.805 176.300 -0.807 0.000 1.021 383 R CA -0.858 54.877 56.100 -0.608 0.000 0.893 383 R CB 1.700 31.872 30.300 -0.214 0.000 1.244 383 R HN 0.575 nan 8.270 nan 0.000 0.464 384 T N 1.575 115.862 114.554 -0.445 0.000 2.841 384 T HA 0.470 4.820 4.350 -0.001 0.000 0.285 384 T C -0.859 173.763 174.700 -0.131 0.000 0.991 384 T CA -0.665 61.272 62.100 -0.272 0.000 0.966 384 T CB 1.571 70.343 68.868 -0.159 0.000 0.962 384 T HN 0.499 nan 8.240 nan 0.000 0.438 385 V N 0.528 120.387 119.914 -0.091 0.000 2.531 385 V HA 0.734 4.854 4.120 -0.001 0.000 0.301 385 V C 0.207 176.283 176.094 -0.030 0.000 1.034 385 V CA -0.947 61.324 62.300 -0.048 0.000 0.865 385 V CB 1.660 33.459 31.823 -0.040 0.000 0.995 385 V HN 0.807 nan 8.190 nan 0.000 0.424 386 S N 3.216 118.910 115.700 -0.010 0.000 2.528 386 S HA 0.439 4.909 4.470 -0.001 0.000 0.277 386 S C 0.982 175.589 174.600 0.012 0.000 1.297 386 S CA -0.341 57.860 58.200 0.003 0.000 1.052 386 S CB 0.517 63.726 63.200 0.015 0.000 0.917 386 S HN 0.937 nan 8.310 nan 0.000 0.492 387 I N 2.270 122.844 120.570 0.006 0.000 3.684 387 I HA 0.261 4.431 4.170 -0.001 0.000 0.304 387 I C 1.694 177.867 176.117 0.094 0.000 1.278 387 I CA 0.360 61.679 61.300 0.031 0.000 1.272 387 I CB -0.144 37.851 38.000 -0.008 0.000 1.029 387 I HN 0.658 nan 8.210 nan 0.000 0.458 388 E N 2.492 122.738 120.200 0.077 0.000 2.085 388 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 388 E C -0.424 176.283 176.600 0.178 0.000 0.994 388 E CA 1.713 58.189 56.400 0.127 0.000 0.801 388 E CB -0.715 29.032 29.700 0.079 0.000 0.743 388 E HN 0.456 nan 8.360 nan 0.000 0.453 389 P HA -0.180 nan 4.420 nan 0.000 0.217 389 P C 1.475 178.852 177.300 0.127 0.000 1.150 389 P CA 1.471 64.635 63.100 0.107 0.000 0.832 389 P CB -0.188 31.553 31.700 0.068 0.000 0.787 390 M N -2.568 117.124 119.600 0.155 0.000 2.254 390 M HA -0.018 4.462 4.480 -0.001 0.000 0.265 390 M C 2.197 178.678 176.300 0.302 0.000 1.066 390 M CA 1.319 56.742 55.300 0.204 0.000 1.123 390 M CB -2.079 30.647 32.600 0.209 0.000 1.388 390 M HN -0.174 nan 8.290 nan 0.000 0.425 391 F N 3.066 123.090 119.950 0.122 0.000 2.095 391 F HA -0.225 4.302 4.527 -0.001 0.000 0.298 391 F C 1.771 177.642 175.800 0.119 0.000 1.104 391 F CA 2.032 60.094 58.000 0.104 0.000 1.232 391 F CB -0.334 38.697 39.000 0.052 0.000 0.987 391 F HN 0.157 nan 8.300 nan 0.000 0.475 392 D N 0.504 120.976 120.400 0.119 0.000 2.117 392 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 392 D C 2.412 178.688 176.300 -0.039 0.000 0.987 392 D CA 1.494 55.498 54.000 0.006 0.000 0.829 392 D CB -0.871 39.983 40.800 0.089 0.000 0.961 392 D HN 0.392 nan 8.370 nan 0.000 0.460 393 A N 0.131 122.954 122.820 0.006 0.000 1.908 393 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 393 A C 2.136 179.654 177.584 -0.110 0.000 1.181 393 A CA 1.225 53.233 52.037 -0.050 0.000 0.627 393 A CB -1.043 17.926 19.000 -0.052 0.000 0.818 393 A HN 0.243 nan 8.150 nan 0.000 0.445 394 Y N -0.955 119.276 120.300 -0.116 0.000 2.133 394 Y HA -0.190 4.360 4.550 -0.001 0.000 0.287 394 Y C 2.772 178.558 175.900 -0.191 0.000 1.134 394 Y CA 1.713 59.730 58.100 -0.138 0.000 1.133 394 Y CB -0.233 38.145 38.460 -0.138 0.000 0.987 394 Y HN 0.149 nan 8.280 nan 0.000 0.502 395 M N -0.542 118.966 119.600 -0.154 0.000 2.202 395 M HA -0.240 4.239 4.480 -0.001 0.000 0.262 395 M C 2.395 178.623 176.300 -0.121 0.000 1.063 395 M CA 1.604 56.765 55.300 -0.233 0.000 1.097 395 M CB -1.509 30.822 32.600 -0.449 0.000 1.382 395 M HN 0.377 nan 8.290 nan 0.000 0.413 396 A N 0.518 123.281 122.820 -0.097 0.000 1.865 396 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 396 A C 2.139 179.689 177.584 -0.056 0.000 1.191 396 A CA 2.328 54.326 52.037 -0.065 0.000 0.623 396 A CB -0.836 18.130 19.000 -0.056 0.000 0.826 396 A HN 0.599 nan 8.150 nan 0.000 0.444 397 S N -1.887 113.774 115.700 -0.065 0.000 2.597 397 S HA 0.465 4.934 4.470 -0.001 0.000 0.224 397 S C 0.837 175.415 174.600 -0.037 0.000 0.955 397 S CA 0.347 58.513 58.200 -0.057 0.000 0.933 397 S CB 0.233 63.387 63.200 -0.078 0.000 0.788 397 S HN 0.261 nan 8.310 nan 0.000 0.488 398 L N 0.386 121.592 121.223 -0.027 0.000 2.688 398 L HA 0.495 4.835 4.340 -0.001 0.000 0.216 398 L C 1.076 177.936 176.870 -0.017 0.000 1.036 398 L CA 0.940 55.776 54.840 -0.007 0.000 0.906 398 L CB -0.494 41.585 42.059 0.033 0.000 1.501 398 L HN 0.407 nan 8.230 nan 0.000 0.489 399 G N 1.891 110.669 108.800 -0.037 0.000 2.540 399 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.260 399 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.260 399 G C -0.554 174.328 174.900 -0.029 0.000 0.993 399 G CA -0.068 45.009 45.100 -0.038 0.000 1.327 399 G HN 0.114 nan 8.290 nan 0.000 0.485 400 L N 1.498 122.695 121.223 -0.043 0.000 2.325 400 L HA 0.850 5.190 4.340 -0.001 0.000 0.278 400 L C 0.799 177.664 176.870 -0.007 0.000 1.023 400 L CA -0.529 54.297 54.840 -0.022 0.000 0.811 400 L CB 2.179 44.222 42.059 -0.026 0.000 1.249 400 L HN 0.601 nan 8.230 nan 0.000 0.431 401 T N -1.021 113.535 114.554 0.003 0.000 2.893 401 T HA 0.773 5.122 4.350 -0.001 0.000 0.293 401 T C 0.282 174.989 174.700 0.012 0.000 1.027 401 T CA -0.049 62.056 62.100 0.008 0.000 0.988 401 T CB 2.007 70.877 68.868 0.003 0.000 1.043 401 T HN 1.044 nan 8.240 nan 0.000 0.461 402 G N 1.801 110.608 108.800 0.012 0.000 2.531 402 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.274 402 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.274 402 G C 0.540 175.449 174.900 0.016 0.000 1.159 402 G CA 0.229 45.335 45.100 0.010 0.000 0.969 402 G HN 0.951 nan 8.290 nan 0.000 0.554 403 L N 1.343 122.575 121.223 0.015 0.000 2.079 403 L HA 0.142 4.482 4.340 -0.001 0.000 0.210 403 L C 3.506 180.390 176.870 0.024 0.000 1.081 403 L CA 3.025 57.877 54.840 0.020 0.000 0.752 403 L CB -0.828 41.244 42.059 0.021 0.000 0.896 403 L HN 0.922 nan 8.230 nan 0.000 0.433 404 A N 0.268 123.101 122.820 0.021 0.000 1.902 404 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 404 A C 2.283 179.883 177.584 0.027 0.000 1.181 404 A CA 1.818 53.867 52.037 0.020 0.000 0.623 404 A CB -0.579 18.430 19.000 0.014 0.000 0.818 404 A HN 0.612 nan 8.150 nan 0.000 0.443 405 E N -0.397 119.828 120.200 0.042 0.000 2.216 405 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 405 E C 1.672 178.347 176.600 0.124 0.000 0.988 405 E CA 1.087 57.541 56.400 0.090 0.000 0.834 405 E CB -0.237 29.525 29.700 0.104 0.000 0.772 405 E HN 0.677 nan 8.360 nan 0.000 0.479 406 E N 0.281 120.519 120.200 0.064 0.000 2.107 406 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 406 E C 1.559 178.181 176.600 0.035 0.000 0.982 406 E CA 0.791 57.215 56.400 0.040 0.000 0.809 406 E CB 0.024 29.734 29.700 0.017 0.000 0.756 406 E HN 0.288 nan 8.360 nan 0.000 0.459 407 N N 1.018 119.736 118.700 0.031 0.000 2.223 407 N HA -0.146 4.593 4.740 -0.001 0.000 0.185 407 N C 1.721 177.231 175.510 -0.000 0.000 1.016 407 N CA 0.408 53.469 53.050 0.018 0.000 0.863 407 N CB -0.246 38.252 38.487 0.018 0.000 0.983 407 N HN 0.089 nan 8.380 nan 0.000 0.429 408 L N 1.315 122.541 121.223 0.005 0.000 2.013 408 L HA -0.227 4.113 4.340 -0.001 0.000 0.212 408 L C 2.021 178.881 176.870 -0.016 0.000 1.073 408 L CA 1.771 56.587 54.840 -0.040 0.000 0.753 408 L CB -0.898 41.156 42.059 -0.008 0.000 0.890 408 L HN 0.089 nan 8.230 nan 0.000 0.432 409 Q N -0.365 119.463 119.800 0.046 0.000 2.082 409 Q HA -0.253 4.087 4.340 -0.001 0.000 0.211 409 Q C 2.370 178.345 176.000 -0.042 0.000 1.002 409 Q CA 3.033 58.834 55.803 -0.003 0.000 0.868 409 Q CB -0.407 28.311 28.738 -0.035 0.000 0.931 409 Q HN 0.815 nan 8.270 nan 0.000 0.414 410 S N -0.249 115.436 115.700 -0.025 0.000 2.383 410 S HA -0.089 4.381 4.470 -0.001 0.000 0.227 410 S C 1.776 176.343 174.600 -0.055 0.000 1.026 410 S CA 0.774 58.957 58.200 -0.029 0.000 0.981 410 S CB -0.254 62.957 63.200 0.018 0.000 0.818 410 S HN 0.261 nan 8.310 nan 0.000 0.472 411 R N 0.778 121.243 120.500 -0.059 0.000 2.148 411 R HA 0.149 4.489 4.340 -0.001 0.000 0.227 411 R C 2.169 178.417 176.300 -0.088 0.000 1.103 411 R CA 0.890 56.947 56.100 -0.072 0.000 0.983 411 R CB -0.557 29.690 30.300 -0.089 0.000 0.874 411 R HN 0.454 nan 8.270 nan 0.000 0.451 412 L N -0.127 121.036 121.223 -0.100 0.000 2.044 412 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 412 L C 2.487 179.308 176.870 -0.082 0.000 1.075 412 L CA 1.363 56.157 54.840 -0.075 0.000 0.747 412 L CB -0.343 41.690 42.059 -0.043 0.000 0.903 412 L HN 0.120 nan 8.230 nan 0.000 0.435 413 R N -0.079 120.338 120.500 -0.138 0.000 2.092 413 R HA -0.089 4.251 4.340 -0.001 0.000 0.231 413 R C 2.361 178.572 176.300 -0.148 0.000 1.119 413 R CA 1.144 57.114 56.100 -0.217 0.000 0.970 413 R CB -0.667 29.373 30.300 -0.434 0.000 0.864 413 R HN 0.419 nan 8.270 nan 0.000 0.440 414 G N 0.410 109.149 108.800 -0.100 0.000 2.421 414 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.216 414 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.216 414 G C 1.345 176.219 174.900 -0.043 0.000 1.171 414 G CA 1.270 46.333 45.100 -0.061 0.000 0.775 414 G HN 0.235 nan 8.290 nan 0.000 0.543 415 T N 0.966 115.499 114.554 -0.035 0.000 2.759 415 T HA -0.120 4.230 4.350 -0.001 0.000 0.269 415 T C 2.595 177.288 174.700 -0.011 0.000 1.042 415 T CA 1.786 63.879 62.100 -0.011 0.000 1.140 415 T CB -0.488 68.387 68.868 0.010 0.000 0.864 415 T HN 0.296 nan 8.240 nan 0.000 0.455 416 T N 2.336 116.874 114.554 -0.027 0.000 2.737 416 T HA 0.085 4.434 4.350 -0.001 0.000 0.265 416 T C 2.002 176.689 174.700 -0.021 0.000 1.038 416 T CA 0.804 62.889 62.100 -0.026 0.000 1.144 416 T CB -0.425 68.414 68.868 -0.049 0.000 0.866 416 T HN 0.248 nan 8.240 nan 0.000 0.434 417 L N -0.147 121.057 121.223 -0.032 0.000 2.083 417 L HA -0.077 4.263 4.340 -0.001 0.000 0.209 417 L C 2.600 179.472 176.870 0.003 0.000 1.083 417 L CA 0.999 55.833 54.840 -0.011 0.000 0.752 417 L CB -0.424 41.625 42.059 -0.016 0.000 0.899 417 L HN 0.257 nan 8.230 nan 0.000 0.433 418 M N -0.312 119.285 119.600 -0.006 0.000 2.132 418 M HA -0.103 4.377 4.480 -0.001 0.000 0.263 418 M C 2.318 178.621 176.300 0.005 0.000 1.065 418 M CA 1.959 57.258 55.300 -0.001 0.000 1.122 418 M CB -0.529 32.068 32.600 -0.006 0.000 1.365 418 M HN 0.211 nan 8.290 nan 0.000 0.411 419 A N -0.470 122.353 122.820 0.004 0.000 1.930 419 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 419 A C 2.189 179.775 177.584 0.003 0.000 1.175 419 A CA 1.539 53.578 52.037 0.004 0.000 0.627 419 A CB -0.968 18.036 19.000 0.006 0.000 0.815 419 A HN 0.514 nan 8.150 nan 0.000 0.443 420 I N 0.545 121.122 120.570 0.011 0.000 2.252 420 I HA -0.227 3.943 4.170 -0.001 0.000 0.245 420 I C 2.859 178.989 176.117 0.023 0.000 1.102 420 I CA 1.562 62.876 61.300 0.023 0.000 1.385 420 I CB -0.177 37.849 38.000 0.042 0.000 1.064 420 I HN 0.506 nan 8.210 nan 0.000 0.414 421 S N 0.119 115.843 115.700 0.039 0.000 2.428 421 S HA -0.131 4.338 4.470 -0.001 0.000 0.230 421 S C 1.624 176.206 174.600 -0.030 0.000 1.014 421 S CA 1.101 59.316 58.200 0.024 0.000 0.957 421 S CB -0.824 62.413 63.200 0.061 0.000 0.784 421 S HN 0.481 nan 8.310 nan 0.000 0.499 422 N N 0.830 119.523 118.700 -0.013 0.000 2.120 422 N HA -0.092 4.647 4.740 -0.001 0.000 0.188 422 N C 2.050 177.538 175.510 -0.037 0.000 1.024 422 N CA 1.238 54.281 53.050 -0.012 0.000 0.852 422 N CB -0.114 38.371 38.487 -0.002 0.000 1.003 422 N HN 0.385 nan 8.380 nan 0.000 0.424 423 Q N 1.008 120.779 119.800 -0.049 0.000 2.049 423 Q HA -0.071 4.268 4.340 -0.001 0.000 0.198 423 Q C 1.178 177.108 176.000 -0.117 0.000 0.971 423 Q CA 1.398 57.164 55.803 -0.062 0.000 0.833 423 Q CB -0.003 28.708 28.738 -0.045 0.000 0.896 423 Q HN 0.500 nan 8.270 nan 0.000 0.434 424 E N -1.368 118.710 120.200 -0.204 0.000 2.476 424 E HA 0.200 4.549 4.350 -0.001 0.000 0.199 424 E C 0.398 176.651 176.600 -0.579 0.000 1.021 424 E CA 0.357 56.529 56.400 -0.380 0.000 0.907 424 E CB 0.695 30.140 29.700 -0.425 0.000 0.974 424 E HN 0.437 nan 8.360 nan 0.000 0.489 425 G N 2.264 110.825 108.800 -0.399 0.000 2.165 425 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.226 425 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.226 425 G C -0.213 174.608 174.900 -0.133 0.000 1.035 425 G CA -0.252 44.727 45.100 -0.202 0.000 0.744 425 G HN 0.246 nan 8.290 nan 0.000 0.501 426 H N -0.746 118.333 119.070 0.014 0.000 2.544 426 H HA 0.596 5.152 4.556 -0.001 0.000 0.342 426 H C 0.666 175.947 175.328 -0.078 0.000 1.185 426 H CA -0.752 55.284 56.048 -0.019 0.000 1.264 426 H CB 1.263 30.973 29.762 -0.087 0.000 1.607 426 H HN 0.178 nan 8.280 nan 0.000 0.550 427 I N 2.045 122.613 120.570 -0.004 0.000 2.321 427 I HA 0.073 4.242 4.170 -0.001 0.000 0.291 427 I C 0.137 176.239 176.117 -0.024 0.000 0.998 427 I CA -0.752 60.455 61.300 -0.155 0.000 1.227 427 I CB 1.408 39.230 38.000 -0.297 0.000 1.368 427 I HN 0.060 nan 8.210 nan 0.000 0.466 428 V N 7.560 127.464 119.914 -0.018 0.000 2.655 428 V HA 0.103 4.223 4.120 -0.001 0.000 0.300 428 V C 0.362 176.460 176.094 0.007 0.000 1.044 428 V CA -0.064 62.239 62.300 0.004 0.000 1.095 428 V CB 0.842 32.661 31.823 -0.007 0.000 0.952 428 V HN 0.451 nan 8.190 nan 0.000 0.485 429 L N 4.514 125.752 121.223 0.025 0.000 2.296 429 L HA 0.659 4.999 4.340 -0.001 0.000 0.286 429 L C 0.428 177.306 176.870 0.014 0.000 1.023 429 L CA -0.520 54.339 54.840 0.033 0.000 0.812 429 L CB 1.521 43.615 42.059 0.059 0.000 1.223 429 L HN 0.726 nan 8.230 nan 0.000 0.421 430 A N 5.296 128.101 122.820 -0.026 0.000 2.354 430 A HA 0.509 4.829 4.320 -0.001 0.000 0.281 430 A C -1.757 175.861 177.584 0.058 0.000 1.174 430 A CA -1.153 50.873 52.037 -0.019 0.000 0.828 430 A CB 0.149 19.042 19.000 -0.178 0.000 1.099 430 A HN 0.579 nan 8.150 nan 0.000 0.516 431 P HA 0.081 nan 4.420 nan 0.000 0.255 431 P C 0.778 178.108 177.300 0.050 0.000 1.248 431 P CA 0.397 63.532 63.100 0.058 0.000 0.807 431 P CB 0.050 31.782 31.700 0.054 0.000 1.150 432 G N 1.491 110.363 108.800 0.119 0.000 2.365 432 G HA2 0.189 4.149 3.960 -0.001 0.000 0.249 432 G HA3 0.189 4.149 3.960 -0.001 0.000 0.249 432 G C 0.071 174.926 174.900 -0.074 0.000 1.288 432 G CA -0.276 44.838 45.100 0.023 0.000 0.887 432 G HN 0.290 nan 8.290 nan 0.000 0.524 433 N N 0.596 119.240 118.700 -0.092 0.000 2.447 433 N HA 0.226 4.966 4.740 -0.001 0.000 0.271 433 N C 1.162 176.596 175.510 -0.127 0.000 1.226 433 N CA -0.906 52.077 53.050 -0.112 0.000 0.980 433 N CB 1.435 39.856 38.487 -0.109 0.000 1.206 433 N HN 0.414 nan 8.380 nan 0.000 0.558 434 K N -0.362 119.956 120.400 -0.136 0.000 2.148 434 K HA -0.072 4.248 4.320 -0.001 0.000 0.204 434 K C 1.288 177.914 176.600 0.043 0.000 1.050 434 K CA 1.114 57.314 56.287 -0.144 0.000 0.942 434 K CB -0.141 32.092 32.500 -0.444 0.000 0.724 434 K HN 0.590 nan 8.250 nan 0.000 0.446 435 S N 1.121 116.922 115.700 0.167 0.000 2.356 435 S HA -0.139 4.331 4.470 -0.001 0.000 0.223 435 S C 1.607 176.292 174.600 0.141 0.000 1.032 435 S CA 1.418 59.783 58.200 0.276 0.000 1.005 435 S CB -0.192 63.212 63.200 0.339 0.000 0.867 435 S HN 0.409 nan 8.310 nan 0.000 0.449 436 E N 0.646 120.913 120.200 0.113 0.000 2.072 436 E HA -0.064 4.285 4.350 -0.001 0.000 0.191 436 E C 1.980 178.527 176.600 -0.089 0.000 0.985 436 E CA 0.709 57.170 56.400 0.102 0.000 0.801 436 E CB -0.206 29.568 29.700 0.123 0.000 0.750 436 E HN 0.209 nan 8.360 nan 0.000 0.452 437 L N 0.742 121.852 121.223 -0.188 0.000 2.083 437 L HA -0.169 4.171 4.340 -0.001 0.000 0.209 437 L C 2.263 178.893 176.870 -0.400 0.000 1.083 437 L CA 1.589 56.209 54.840 -0.367 0.000 0.752 437 L CB -0.551 41.223 42.059 -0.475 0.000 0.899 437 L HN 0.086 nan 8.230 nan 0.000 0.433 438 A N -0.637 122.053 122.820 -0.217 0.000 1.858 438 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 438 A C 2.056 179.536 177.584 -0.173 0.000 1.190 438 A CA 2.184 54.146 52.037 -0.125 0.000 0.617 438 A CB -1.016 18.151 19.000 0.278 0.000 0.827 438 A HN 0.328 nan 8.150 nan 0.000 0.443 439 V N -3.565 116.218 119.914 -0.218 0.000 3.649 439 V HA 0.510 4.629 4.120 -0.001 0.000 0.275 439 V C 1.296 177.193 176.094 -0.328 0.000 1.281 439 V CA 0.552 62.659 62.300 -0.321 0.000 1.143 439 V CB -0.951 30.541 31.823 -0.553 0.000 0.892 439 V HN 1.626 nan 8.190 nan 0.000 0.441 440 G N -0.528 108.110 108.800 -0.269 0.000 2.198 440 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.257 440 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.257 440 G C -0.098 174.772 174.900 -0.051 0.000 1.042 440 G CA 0.338 45.322 45.100 -0.193 0.000 0.791 440 G HN 0.668 nan 8.290 nan 0.000 0.502 441 Y N 0.803 121.064 120.300 -0.065 0.000 2.578 441 Y HA 0.205 4.755 4.550 -0.001 0.000 0.339 441 Y C 1.544 177.433 175.900 -0.020 0.000 1.231 441 Y CA -0.001 58.084 58.100 -0.026 0.000 1.461 441 Y CB 0.571 39.036 38.460 0.008 0.000 1.323 441 Y HN 0.248 nan 8.280 nan 0.000 0.590 442 S N 1.760 117.574 115.700 0.189 0.000 2.515 442 S HA -0.082 4.387 4.470 -0.001 0.000 0.285 442 S C 1.285 175.928 174.600 0.073 0.000 1.265 442 S CA 0.137 58.390 58.200 0.088 0.000 1.079 442 S CB 0.881 64.110 63.200 0.049 0.000 0.877 442 S HN 0.889 nan 8.310 nan 0.000 0.493 443 T N 1.985 116.586 114.554 0.079 0.000 2.732 443 T HA -0.005 4.345 4.350 -0.001 0.000 0.261 443 T C 1.253 176.011 174.700 0.097 0.000 1.040 443 T CA 1.063 63.219 62.100 0.093 0.000 1.145 443 T CB -0.563 68.373 68.868 0.113 0.000 0.866 443 T HN 0.613 nan 8.240 nan 0.000 0.427 444 L N -2.266 119.013 121.223 0.094 0.000 4.982 444 L HA -0.196 4.144 4.340 -0.001 0.000 0.402 444 L C 0.342 177.341 176.870 0.215 0.000 0.863 444 L CA 1.331 56.238 54.840 0.112 0.000 1.876 444 L CB -1.132 40.978 42.059 0.086 0.000 1.554 444 L HN 0.504 nan 8.230 nan 0.000 0.603 445 Y N 0.030 120.334 120.300 0.007 0.000 2.721 445 Y HA 0.442 4.992 4.550 -0.001 0.000 0.251 445 Y C 1.207 177.111 175.900 0.008 0.000 1.136 445 Y CA 0.407 58.511 58.100 0.006 0.000 1.142 445 Y CB 1.046 39.512 38.460 0.009 0.000 1.212 445 Y HN 0.160 nan 8.280 nan 0.000 0.565 446 G N 1.290 110.130 108.800 0.068 0.000 2.333 446 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.296 446 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.296 446 G C 0.445 175.372 174.900 0.045 0.000 1.059 446 G CA 0.709 45.826 45.100 0.028 0.000 1.050 446 G HN 0.430 nan 8.290 nan 0.000 0.508 447 D N 0.090 120.547 120.400 0.096 0.000 2.178 447 D HA -0.022 4.617 4.640 -0.001 0.000 0.202 447 D C 2.313 178.629 176.300 0.026 0.000 0.974 447 D CA 1.280 55.354 54.000 0.123 0.000 0.841 447 D CB -0.115 40.831 40.800 0.243 0.000 0.953 447 D HN 0.415 nan 8.370 nan 0.000 0.478 448 S N -0.324 115.404 115.700 0.047 0.000 2.442 448 S HA -0.056 4.413 4.470 -0.001 0.000 0.236 448 S C 0.644 175.152 174.600 -0.154 0.000 1.007 448 S CA 0.217 58.390 58.200 -0.044 0.000 0.965 448 S CB -0.004 63.209 63.200 0.022 0.000 0.773 448 S HN -0.042 nan 8.310 nan 0.000 0.504 449 V N 0.934 120.780 119.914 -0.113 0.000 2.472 449 V HA 0.779 4.898 4.120 -0.001 0.000 0.290 449 V C 0.531 176.543 176.094 -0.137 0.000 1.037 449 V CA 0.132 62.367 62.300 -0.107 0.000 0.908 449 V CB 0.619 32.407 31.823 -0.058 0.000 0.985 449 V HN 0.456 nan 8.190 nan 0.000 0.454 450 G N 2.794 111.511 108.800 -0.138 0.000 2.337 450 G HA2 0.498 4.458 3.960 -0.001 0.000 0.310 450 G HA3 0.498 4.458 3.960 -0.001 0.000 0.310 450 G C -0.123 174.701 174.900 -0.126 0.000 1.534 450 G CA 0.080 45.106 45.100 -0.124 0.000 0.982 450 G HN 1.006 nan 8.290 nan 0.000 0.672 451 A N -0.559 122.223 122.820 -0.062 0.000 2.140 451 A HA 0.681 5.001 4.320 -0.001 0.000 0.209 451 A C 0.254 177.835 177.584 -0.005 0.000 1.181 451 A CA 0.997 53.034 52.037 0.000 0.000 0.824 451 A CB 0.293 19.327 19.000 0.056 0.000 0.879 451 A HN 1.681 nan 8.150 nan 0.000 0.480 452 Y N -1.426 118.732 120.300 -0.238 0.000 2.513 452 Y HA 0.507 5.056 4.550 -0.001 0.000 0.340 452 Y C -0.154 175.616 175.900 -0.216 0.000 1.055 452 Y CA -0.737 57.139 58.100 -0.374 0.000 1.020 452 Y CB 1.654 39.780 38.460 -0.556 0.000 1.301 452 Y HN 0.026 nan 8.280 nan 0.000 0.453 453 G N 5.509 113.941 108.800 -0.613 0.000 2.955 453 G HA2 0.406 4.365 3.960 -0.001 0.000 0.336 453 G HA3 0.406 4.365 3.960 -0.001 0.000 0.336 453 G C -2.595 172.092 174.900 -0.354 0.000 1.264 453 G CA -1.643 43.280 45.100 -0.295 0.000 1.096 453 G HN 0.484 nan 8.290 nan 0.000 0.486 454 P HA -0.053 nan 4.420 nan 0.000 0.220 454 P C 1.478 178.725 177.300 -0.089 0.000 1.148 454 P CA 0.729 63.804 63.100 -0.041 0.000 0.803 454 P CB 0.161 31.893 31.700 0.054 0.000 0.782 455 I N -3.975 116.540 120.570 -0.091 0.000 3.936 455 I HA 0.266 4.436 4.170 -0.001 0.000 0.330 455 I C 1.521 177.567 176.117 -0.117 0.000 1.509 455 I CA -0.354 60.887 61.300 -0.097 0.000 1.126 455 I CB -0.348 37.602 38.000 -0.083 0.000 1.115 455 I HN -0.179 nan 8.210 nan 0.000 0.424 456 K N 0.517 120.840 120.400 -0.128 0.000 2.360 456 K HA -0.143 4.177 4.320 -0.001 0.000 0.201 456 K C 0.802 177.305 176.600 -0.163 0.000 1.046 456 K CA 1.713 57.914 56.287 -0.145 0.000 0.945 456 K CB -0.135 32.299 32.500 -0.110 0.000 0.750 456 K HN 0.275 nan 8.250 nan 0.000 0.464 457 D N 0.795 121.097 120.400 -0.162 0.000 2.424 457 D HA 0.104 4.744 4.640 -0.001 0.000 0.220 457 D C -1.179 174.965 176.300 -0.260 0.000 1.150 457 D CA -0.214 53.667 54.000 -0.198 0.000 0.831 457 D CB 0.748 41.459 40.800 -0.148 0.000 0.981 457 D HN -0.008 nan 8.370 nan 0.000 0.500 458 V N 1.813 121.591 119.914 -0.226 0.000 2.409 458 V HA 0.320 4.440 4.120 -0.001 0.000 0.291 458 V C -0.195 175.792 176.094 -0.179 0.000 1.020 458 V CA -0.951 61.239 62.300 -0.184 0.000 0.848 458 V CB 0.911 32.674 31.823 -0.100 0.000 0.990 458 V HN 0.025 nan 8.190 nan 0.000 0.430 459 Y N 2.554 122.830 120.300 -0.039 0.000 2.457 459 Y HA 0.057 4.607 4.550 -0.001 0.000 0.341 459 Y C 1.646 177.490 175.900 -0.092 0.000 1.240 459 Y CA 0.018 58.096 58.100 -0.038 0.000 1.437 459 Y CB 0.724 39.183 38.460 -0.001 0.000 1.328 459 Y HN 0.605 nan 8.280 nan 0.000 0.588 460 K N 0.501 120.925 120.400 0.039 0.000 2.074 460 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 460 K C 1.756 178.271 176.600 -0.141 0.000 1.048 460 K CA 2.277 58.407 56.287 -0.261 0.000 0.926 460 K CB -0.504 31.604 32.500 -0.653 0.000 0.713 460 K HN 0.782 nan 8.250 nan 0.000 0.444 461 T N -0.116 114.495 114.554 0.095 0.000 2.759 461 T HA -0.105 4.244 4.350 -0.001 0.000 0.269 461 T C 1.766 176.579 174.700 0.189 0.000 1.042 461 T CA 1.772 64.005 62.100 0.222 0.000 1.140 461 T CB -0.259 68.704 68.868 0.159 0.000 0.864 461 T HN 0.246 nan 8.240 nan 0.000 0.455 462 S N 0.516 116.290 115.700 0.124 0.000 2.470 462 S HA 0.140 4.610 4.470 -0.001 0.000 0.225 462 S C 1.899 176.528 174.600 0.048 0.000 1.006 462 S CA 0.193 58.453 58.200 0.099 0.000 0.934 462 S CB -0.204 63.055 63.200 0.098 0.000 0.778 462 S HN 0.314 nan 8.310 nan 0.000 0.517 463 I N 1.238 121.771 120.570 -0.061 0.000 2.179 463 I HA -0.143 4.027 4.170 -0.001 0.000 0.242 463 I C 1.795 177.840 176.117 -0.119 0.000 1.088 463 I CA 1.394 62.599 61.300 -0.159 0.000 1.357 463 I CB -0.412 37.385 38.000 -0.339 0.000 1.051 463 I HN 0.211 nan 8.210 nan 0.000 0.409 464 F N 0.092 120.051 119.950 0.015 0.000 2.069 464 F HA -0.279 4.248 4.527 -0.001 0.000 0.298 464 F C 2.753 178.588 175.800 0.059 0.000 1.113 464 F CA 1.486 59.503 58.000 0.028 0.000 1.214 464 F CB -0.549 38.460 39.000 0.015 0.000 0.978 464 F HN -0.097 nan 8.300 nan 0.000 0.474 465 R N 0.657 121.310 120.500 0.256 0.000 2.105 465 R HA -0.174 4.165 4.340 -0.001 0.000 0.239 465 R C 2.065 178.481 176.300 0.193 0.000 1.135 465 R CA 1.302 57.515 56.100 0.189 0.000 0.967 465 R CB -0.376 30.010 30.300 0.144 0.000 0.861 465 R HN 0.350 nan 8.270 nan 0.000 0.442 466 L N -0.599 120.731 121.223 0.179 0.000 2.131 466 L HA -0.016 4.324 4.340 -0.001 0.000 0.206 466 L C 2.606 179.640 176.870 0.274 0.000 1.087 466 L CA 0.947 55.928 54.840 0.236 0.000 0.767 466 L CB -0.399 41.801 42.059 0.235 0.000 0.917 466 L HN 0.253 nan 8.230 nan 0.000 0.441 467 A N 0.196 123.132 122.820 0.194 0.000 1.877 467 A HA -0.231 4.088 4.320 -0.001 0.000 0.216 467 A C 2.144 179.795 177.584 0.112 0.000 1.186 467 A CA 1.730 53.854 52.037 0.144 0.000 0.620 467 A CB -0.483 18.585 19.000 0.115 0.000 0.822 467 A HN 0.406 nan 8.150 nan 0.000 0.443 468 E N -1.628 118.657 120.200 0.142 0.000 2.085 468 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 468 E C 1.732 178.381 176.600 0.083 0.000 0.994 468 E CA 1.461 57.923 56.400 0.102 0.000 0.801 468 E CB -0.271 29.503 29.700 0.122 0.000 0.743 468 E HN 0.862 nan 8.360 nan 0.000 0.453 469 W N 1.569 122.852 121.300 -0.028 0.000 2.363 469 W HA -0.147 4.513 4.660 -0.001 0.000 0.296 469 W C 2.233 178.673 176.519 -0.132 0.000 1.212 469 W CA 1.112 58.417 57.345 -0.066 0.000 1.260 469 W CB 0.086 29.508 29.460 -0.062 0.000 1.131 469 W HN -0.158 nan 8.180 nan 0.000 0.530 470 R N 0.739 121.106 120.500 -0.222 0.000 2.062 470 R HA -0.158 4.181 4.340 -0.001 0.000 0.231 470 R C 1.796 177.811 176.300 -0.475 0.000 1.136 470 R CA 1.779 57.536 56.100 -0.572 0.000 0.948 470 R CB -1.224 28.899 30.300 -0.295 0.000 0.845 470 R HN 0.214 nan 8.270 nan 0.000 0.430 471 N N 0.820 119.371 118.700 -0.248 0.000 2.094 471 N HA -0.217 4.523 4.740 -0.001 0.000 0.191 471 N C 1.791 177.162 175.510 -0.233 0.000 1.023 471 N CA 1.348 54.287 53.050 -0.185 0.000 0.857 471 N CB -0.402 38.030 38.487 -0.093 0.000 1.013 471 N HN 0.295 nan 8.380 nan 0.000 0.426 472 R N 0.617 120.948 120.500 -0.281 0.000 2.092 472 R HA 0.035 4.374 4.340 -0.001 0.000 0.231 472 R C 1.811 177.880 176.300 -0.385 0.000 1.119 472 R CA 1.307 57.243 56.100 -0.274 0.000 0.970 472 R CB -0.200 29.972 30.300 -0.213 0.000 0.864 472 R HN 0.165 nan 8.270 nan 0.000 0.440 473 A N 0.928 123.347 122.820 -0.669 0.000 1.969 473 A HA -0.005 4.314 4.320 -0.001 0.000 0.218 473 A C 2.345 179.696 177.584 -0.390 0.000 1.169 473 A CA 1.401 53.026 52.037 -0.688 0.000 0.635 473 A CB -0.550 17.689 19.000 -1.268 0.000 0.810 473 A HN 0.546 nan 8.150 nan 0.000 0.445 474 A N 0.104 122.723 122.820 -0.335 0.000 1.841 474 A HA 0.174 4.494 4.320 -0.001 0.000 0.214 474 A C 2.541 180.035 177.584 -0.151 0.000 1.195 474 A CA 2.097 54.011 52.037 -0.204 0.000 0.611 474 A CB -1.210 17.687 19.000 -0.171 0.000 0.835 474 A HN 1.088 nan 8.150 nan 0.000 0.443 475 A N -0.300 122.431 122.820 -0.148 0.000 1.940 475 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 475 A C 1.872 179.399 177.584 -0.095 0.000 1.176 475 A CA 1.853 53.826 52.037 -0.107 0.000 0.631 475 A CB -0.664 18.276 19.000 -0.099 0.000 0.814 475 A HN 0.660 nan 8.150 nan 0.000 0.446 476 E N -1.021 119.109 120.200 -0.117 0.000 2.171 476 E HA -0.162 4.187 4.350 -0.001 0.000 0.197 476 E C 0.941 177.502 176.600 -0.066 0.000 0.997 476 E CA 0.837 57.184 56.400 -0.089 0.000 0.810 476 E CB 0.002 29.640 29.700 -0.105 0.000 0.738 476 E HN 0.254 nan 8.360 nan 0.000 0.467 477 R N -0.709 119.746 120.500 -0.075 0.000 2.700 477 R HA 0.147 4.487 4.340 -0.001 0.000 0.377 477 R C 0.603 176.875 176.300 -0.047 0.000 1.130 477 R CA 0.453 56.523 56.100 -0.052 0.000 1.055 477 R CB 0.736 31.007 30.300 -0.047 0.000 1.387 477 R HN 0.291 nan 8.270 nan 0.000 0.580 478 G N 1.039 109.809 108.800 -0.050 0.000 2.196 478 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.268 478 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.268 478 G C 0.256 175.130 174.900 -0.045 0.000 0.975 478 G CA 0.480 45.554 45.100 -0.042 0.000 0.648 478 G HN 0.426 nan 8.290 nan 0.000 0.538 479 Q N 0.641 120.408 119.800 -0.055 0.000 2.368 479 Q HA 0.455 4.795 4.340 -0.001 0.000 0.237 479 Q C 0.191 176.154 176.000 -0.061 0.000 0.987 479 Q CA 0.219 55.990 55.803 -0.054 0.000 0.896 479 Q CB 0.494 29.198 28.738 -0.058 0.000 1.241 479 Q HN 0.266 nan 8.270 nan 0.000 0.485 480 T N 3.654 118.177 114.554 -0.052 0.000 2.817 480 T HA 0.132 4.481 4.350 -0.001 0.000 0.295 480 T C -2.213 172.449 174.700 -0.065 0.000 0.958 480 T CA -1.106 60.963 62.100 -0.052 0.000 1.157 480 T CB -0.109 68.734 68.868 -0.042 0.000 0.898 480 T HN 0.352 nan 8.240 nan 0.000 0.536 481 P HA 0.148 nan 4.420 nan 0.000 0.266 481 P C -2.122 175.142 177.300 -0.060 0.000 1.215 481 P CA -1.442 61.610 63.100 -0.080 0.000 0.763 481 P CB 0.495 32.150 31.700 -0.075 0.000 0.806 482 P HA 0.036 nan 4.420 nan 0.000 0.222 482 P C 0.435 177.719 177.300 -0.026 0.000 1.153 482 P CA 1.085 64.163 63.100 -0.035 0.000 0.798 482 P CB 0.261 31.949 31.700 -0.020 0.000 0.796 483 I N 1.092 121.650 120.570 -0.020 0.000 2.321 483 I HA 0.280 4.449 4.170 -0.001 0.000 0.291 483 I C -2.340 173.772 176.117 -0.008 0.000 0.998 483 I CA -3.010 58.287 61.300 -0.005 0.000 1.227 483 I CB 1.394 39.404 38.000 0.017 0.000 1.368 483 I HN -0.276 nan 8.210 nan 0.000 0.466 484 P HA -0.011 nan 4.420 nan 0.000 0.266 484 P C 0.243 177.549 177.300 0.010 0.000 1.195 484 P CA -0.021 63.074 63.100 -0.009 0.000 0.768 484 P CB 0.512 32.205 31.700 -0.013 0.000 0.838 485 E N 2.421 122.624 120.200 0.007 0.000 2.208 485 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 485 E C 1.764 178.380 176.600 0.025 0.000 0.988 485 E CA 1.167 57.575 56.400 0.015 0.000 0.828 485 E CB -0.846 28.855 29.700 0.001 0.000 0.763 485 E HN 0.503 nan 8.360 nan 0.000 0.478 486 A N 1.313 124.147 122.820 0.023 0.000 2.015 486 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 486 A C 2.411 180.034 177.584 0.066 0.000 1.163 486 A CA 1.249 53.306 52.037 0.034 0.000 0.646 486 A CB -0.307 18.714 19.000 0.034 0.000 0.806 486 A HN 0.152 nan 8.150 nan 0.000 0.448 487 S N -0.122 115.617 115.700 0.065 0.000 2.387 487 S HA -0.057 4.413 4.470 -0.001 0.000 0.226 487 S C 1.755 176.431 174.600 0.127 0.000 1.026 487 S CA 1.332 59.580 58.200 0.080 0.000 0.972 487 S CB -0.404 62.822 63.200 0.045 0.000 0.814 487 S HN 0.581 nan 8.310 nan 0.000 0.477 488 I N 1.545 122.191 120.570 0.128 0.000 2.202 488 I HA -0.113 4.056 4.170 -0.001 0.000 0.242 488 I C 1.898 178.108 176.117 0.156 0.000 1.091 488 I CA 1.286 62.707 61.300 0.203 0.000 1.368 488 I CB -0.531 37.554 38.000 0.142 0.000 1.058 488 I HN 0.312 nan 8.210 nan 0.000 0.410 489 T N -1.608 112.987 114.554 0.068 0.000 3.260 489 T HA 0.310 4.660 4.350 -0.001 0.000 0.254 489 T C 0.248 174.955 174.700 0.011 0.000 0.951 489 T CA -0.443 61.660 62.100 0.005 0.000 0.918 489 T CB -0.014 68.846 68.868 -0.015 0.000 1.098 489 T HN -0.058 nan 8.240 nan 0.000 0.563 508 D N -0.855 119.502 120.400 -0.071 0.000 2.339 508 D HA 0.168 4.808 4.640 -0.001 0.000 0.245 508 D C 0.941 177.221 176.300 -0.033 0.000 1.115 508 D CA 0.019 53.964 54.000 -0.093 0.000 0.917 508 D CB 0.519 41.304 40.800 -0.024 0.000 1.192 508 D HN 0.361 nan 8.370 nan 0.000 0.428 509 Y N 1.314 121.662 120.300 0.081 0.000 2.102 509 Y HA -0.207 4.343 4.550 -0.001 0.000 0.280 509 Y C -0.746 175.189 175.900 0.059 0.000 1.178 509 Y CA 1.100 59.260 58.100 0.100 0.000 1.146 509 Y CB -1.075 37.498 38.460 0.188 0.000 0.968 509 Y HN 0.541 nan 8.280 nan 0.000 0.504 510 P HA -0.130 nan 4.420 nan 0.000 0.219 510 P C 1.581 178.923 177.300 0.070 0.000 1.150 510 P CA 1.308 64.480 63.100 0.122 0.000 0.814 510 P CB 0.059 31.817 31.700 0.097 0.000 0.787 511 V N -0.542 119.412 119.914 0.066 0.000 2.407 511 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 511 V C 2.328 178.372 176.094 -0.084 0.000 1.041 511 V CA 1.163 63.490 62.300 0.045 0.000 1.040 511 V CB -1.120 30.760 31.823 0.095 0.000 0.671 511 V HN 0.033 nan 8.190 nan 0.000 0.455 512 L N 0.776 121.973 121.223 -0.044 0.000 1.970 512 L HA -0.224 4.116 4.340 -0.001 0.000 0.212 512 L C 2.136 178.925 176.870 -0.136 0.000 1.071 512 L CA 2.332 57.129 54.840 -0.073 0.000 0.751 512 L CB -1.019 41.044 42.059 0.006 0.000 0.889 512 L HN 0.313 nan 8.230 nan 0.000 0.432 513 D N -0.110 120.220 120.400 -0.117 0.000 2.158 513 D HA -0.197 4.443 4.640 -0.001 0.000 0.197 513 D C 2.196 178.216 176.300 -0.466 0.000 0.995 513 D CA 1.552 55.324 54.000 -0.382 0.000 0.846 513 D CB -0.386 40.242 40.800 -0.286 0.000 0.941 513 D HN 0.543 nan 8.370 nan 0.000 0.456 514 A N 0.566 123.222 122.820 -0.273 0.000 1.883 514 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 514 A C 2.367 179.750 177.584 -0.335 0.000 1.186 514 A CA 1.150 53.042 52.037 -0.242 0.000 0.624 514 A CB -0.747 18.182 19.000 -0.118 0.000 0.822 514 A HN 0.227 nan 8.150 nan 0.000 0.444 515 I N -0.322 119.984 120.570 -0.439 0.000 2.252 515 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 515 I C 2.307 178.314 176.117 -0.183 0.000 1.102 515 I CA 0.879 61.936 61.300 -0.404 0.000 1.385 515 I CB -0.307 37.436 38.000 -0.428 0.000 1.064 515 I HN 0.281 nan 8.210 nan 0.000 0.414 516 L N 0.257 121.378 121.223 -0.169 0.000 2.046 516 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 516 L C 2.634 179.496 176.870 -0.014 0.000 1.077 516 L CA 1.446 56.269 54.840 -0.030 0.000 0.747 516 L CB -0.693 41.353 42.059 -0.021 0.000 0.896 516 L HN 0.341 nan 8.230 nan 0.000 0.432 517 E N 0.701 120.788 120.200 -0.190 0.000 2.077 517 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 517 E C 2.377 178.966 176.600 -0.018 0.000 0.989 517 E CA 1.168 57.525 56.400 -0.072 0.000 0.800 517 E CB -0.009 29.608 29.700 -0.137 0.000 0.746 517 E HN 0.457 nan 8.360 nan 0.000 0.452 518 L N -0.210 120.995 121.223 -0.029 0.000 2.046 518 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 518 L C 2.536 179.445 176.870 0.066 0.000 1.077 518 L CA 1.376 56.224 54.840 0.013 0.000 0.747 518 L CB -0.428 41.636 42.059 0.010 0.000 0.896 518 L HN 0.240 nan 8.230 nan 0.000 0.432 519 Y N -0.745 119.522 120.300 -0.055 0.000 2.269 519 Y HA -0.072 4.477 4.550 -0.001 0.000 0.294 519 Y C 2.196 178.075 175.900 -0.035 0.000 1.120 519 Y CA 1.180 59.262 58.100 -0.030 0.000 1.159 519 Y CB 0.074 38.522 38.460 -0.020 0.000 1.024 519 Y HN -0.171 nan 8.280 nan 0.000 0.532 520 V N -0.224 119.660 119.914 -0.050 0.000 2.725 520 V HA -0.092 4.027 4.120 -0.001 0.000 0.247 520 V C 1.217 177.166 176.094 -0.242 0.000 1.058 520 V CA 1.840 64.002 62.300 -0.230 0.000 1.080 520 V CB -0.170 31.522 31.823 -0.219 0.000 0.713 520 V HN 0.331 nan 8.190 nan 0.000 0.465 521 D N -0.250 120.077 120.400 -0.121 0.000 2.431 521 D HA 0.102 4.741 4.640 -0.001 0.000 0.227 521 D C 2.006 178.248 176.300 -0.097 0.000 1.030 521 D CA 0.364 54.297 54.000 -0.111 0.000 0.897 521 D CB 0.281 41.059 40.800 -0.037 0.000 1.058 521 D HN 0.336 nan 8.370 nan 0.000 0.500 522 R N 0.796 121.252 120.500 -0.074 0.000 2.397 522 R HA 0.061 4.401 4.340 -0.001 0.000 0.241 522 R C -0.459 175.800 176.300 -0.069 0.000 0.914 522 R CA -0.131 55.932 56.100 -0.063 0.000 1.071 522 R CB 0.838 31.118 30.300 -0.033 0.000 1.116 522 R HN -0.132 nan 8.270 nan 0.000 0.524 523 D N 2.449 122.786 120.400 -0.105 0.000 2.692 523 D HA -0.118 4.522 4.640 -0.001 0.000 0.233 523 D C -0.441 175.831 176.300 -0.048 0.000 1.172 523 D CA 1.595 55.517 54.000 -0.130 0.000 0.636 523 D CB -0.970 39.746 40.800 -0.140 0.000 1.028 523 D HN 0.300 nan 8.370 nan 0.000 0.419 524 T N -1.718 112.845 114.554 0.015 0.000 2.909 524 T HA 0.599 4.949 4.350 -0.001 0.000 0.286 524 T C 1.033 175.832 174.700 0.166 0.000 1.002 524 T CA -0.385 61.757 62.100 0.069 0.000 1.074 524 T CB 2.328 71.236 68.868 0.066 0.000 0.984 524 T HN 0.192 nan 8.240 nan 0.000 0.495 525 G N -0.244 108.645 108.800 0.148 0.000 2.522 525 G HA2 0.517 4.477 3.960 -0.001 0.000 0.304 525 G HA3 0.517 4.477 3.960 -0.001 0.000 0.304 525 G C 1.106 176.093 174.900 0.145 0.000 1.210 525 G CA -0.563 44.655 45.100 0.198 0.000 0.960 525 G HN 0.916 nan 8.290 nan 0.000 0.497 526 A N 0.074 122.964 122.820 0.117 0.000 1.903 526 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 526 A C 2.016 179.632 177.584 0.054 0.000 1.191 526 A CA 2.482 54.547 52.037 0.046 0.000 0.638 526 A CB -0.630 18.384 19.000 0.023 0.000 0.823 526 A HN 0.552 nan 8.150 nan 0.000 0.451 527 D N -0.342 120.098 120.400 0.066 0.000 2.123 527 D HA -0.058 4.581 4.640 -0.001 0.000 0.196 527 D C 2.185 178.518 176.300 0.056 0.000 0.992 527 D CA 1.660 55.694 54.000 0.056 0.000 0.833 527 D CB -0.398 40.436 40.800 0.057 0.000 0.954 527 D HN 0.456 nan 8.370 nan 0.000 0.455 528 A N 0.066 122.925 122.820 0.064 0.000 2.014 528 A HA -0.029 4.291 4.320 -0.001 0.000 0.218 528 A C 2.310 179.942 177.584 0.081 0.000 1.163 528 A CA 0.502 52.576 52.037 0.062 0.000 0.652 528 A CB -0.438 18.597 19.000 0.059 0.000 0.808 528 A HN 0.191 nan 8.150 nan 0.000 0.449 529 I N -0.607 120.019 120.570 0.092 0.000 2.286 529 I HA -0.159 4.010 4.170 -0.001 0.000 0.245 529 I C 2.235 178.463 176.117 0.184 0.000 1.104 529 I CA 0.807 62.185 61.300 0.130 0.000 1.397 529 I CB -0.216 37.822 38.000 0.064 0.000 1.072 529 I HN 0.124 nan 8.210 nan 0.000 0.417 530 V N 1.136 121.117 119.914 0.112 0.000 2.358 530 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 530 V C 2.710 178.837 176.094 0.054 0.000 1.047 530 V CA 1.920 64.274 62.300 0.090 0.000 1.035 530 V CB -0.976 30.878 31.823 0.051 0.000 0.658 530 V HN 0.484 nan 8.190 nan 0.000 0.452 531 A N -0.042 122.807 122.820 0.047 0.000 2.019 531 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 531 A C 2.307 179.898 177.584 0.012 0.000 1.164 531 A CA 1.746 53.797 52.037 0.023 0.000 0.644 531 A CB -0.539 18.476 19.000 0.026 0.000 0.805 531 A HN 0.573 nan 8.150 nan 0.000 0.449 532 A N -1.931 120.914 122.820 0.042 0.000 2.119 532 A HA 0.389 4.708 4.320 -0.001 0.000 0.216 532 A C 1.672 179.183 177.584 -0.121 0.000 1.152 532 A CA 1.506 53.554 52.037 0.018 0.000 0.708 532 A CB -0.498 18.576 19.000 0.124 0.000 0.805 532 A HN 1.730 nan 8.150 nan 0.000 0.460 533 G N -3.160 105.549 108.800 -0.152 0.000 2.200 533 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.145 533 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.145 533 G C -0.277 174.382 174.900 -0.401 0.000 1.021 533 G CA -0.285 44.641 45.100 -0.292 0.000 0.720 533 G HN 0.270 nan 8.290 nan 0.000 0.494 534 Y N 0.644 120.935 120.300 -0.016 0.000 2.419 534 Y HA 0.567 5.117 4.550 -0.001 0.000 0.328 534 Y C 0.485 176.371 175.900 -0.024 0.000 1.162 534 Y CA -0.956 57.131 58.100 -0.022 0.000 1.174 534 Y CB 1.150 39.594 38.460 -0.026 0.000 1.228 534 Y HN 0.133 nan 8.280 nan 0.000 0.473 535 D N 1.071 121.559 120.400 0.145 0.000 2.343 535 D HA 0.110 4.749 4.640 -0.001 0.000 0.255 535 D C 1.292 177.616 176.300 0.040 0.000 1.187 535 D CA -0.022 54.014 54.000 0.060 0.000 0.875 535 D CB 0.785 41.609 40.800 0.039 0.000 1.136 535 D HN 0.540 nan 8.370 nan 0.000 0.469 536 R N 2.956 123.468 120.500 0.019 0.000 2.134 536 R HA -0.254 4.085 4.340 -0.001 0.000 0.248 536 R C 1.533 177.819 176.300 -0.023 0.000 1.143 536 R CA 2.020 58.120 56.100 -0.001 0.000 0.957 536 R CB -0.009 30.288 30.300 -0.005 0.000 0.867 536 R HN 0.661 nan 8.270 nan 0.000 0.441 537 E N -0.097 120.089 120.200 -0.023 0.000 2.038 537 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 537 E C 2.030 178.602 176.600 -0.047 0.000 1.000 537 E CA 1.727 58.104 56.400 -0.038 0.000 0.803 537 E CB -0.121 29.560 29.700 -0.031 0.000 0.750 537 E HN 0.404 nan 8.360 nan 0.000 0.448 538 L N 0.390 121.593 121.223 -0.034 0.000 2.217 538 L HA -0.117 4.222 4.340 -0.001 0.000 0.211 538 L C 2.419 179.245 176.870 -0.073 0.000 1.107 538 L CA 0.250 55.063 54.840 -0.045 0.000 0.783 538 L CB -0.263 41.782 42.059 -0.024 0.000 0.919 538 L HN 0.024 nan 8.230 nan 0.000 0.442 539 V N -0.472 119.402 119.914 -0.066 0.000 2.261 539 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 539 V C 2.447 178.453 176.094 -0.146 0.000 1.047 539 V CA 1.640 63.876 62.300 -0.106 0.000 1.015 539 V CB -0.261 31.526 31.823 -0.060 0.000 0.642 539 V HN 0.181 nan 8.190 nan 0.000 0.446 540 V N -0.050 119.794 119.914 -0.117 0.000 2.343 540 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 540 V C 2.413 178.420 176.094 -0.146 0.000 1.051 540 V CA 2.380 64.598 62.300 -0.136 0.000 1.036 540 V CB -0.715 31.038 31.823 -0.116 0.000 0.654 540 V HN 0.561 nan 8.190 nan 0.000 0.451 541 K N -0.229 120.099 120.400 -0.120 0.000 2.063 541 K HA -0.195 4.125 4.320 -0.001 0.000 0.208 541 K C 2.163 178.688 176.600 -0.124 0.000 1.048 541 K CA 2.038 58.260 56.287 -0.108 0.000 0.928 541 K CB -0.255 32.197 32.500 -0.080 0.000 0.713 541 K HN 0.515 nan 8.250 nan 0.000 0.442 542 T N 1.741 116.208 114.554 -0.145 0.000 2.770 542 T HA -0.050 4.299 4.350 -0.001 0.000 0.263 542 T C 1.764 176.340 174.700 -0.207 0.000 1.039 542 T CA 1.142 63.143 62.100 -0.166 0.000 1.142 542 T CB -0.108 68.659 68.868 -0.168 0.000 0.868 542 T HN 0.132 nan 8.240 nan 0.000 0.435 543 L N 0.400 121.437 121.223 -0.310 0.000 2.012 543 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 543 L C 2.892 179.644 176.870 -0.196 0.000 1.073 543 L CA 1.496 56.062 54.840 -0.458 0.000 0.748 543 L CB -0.582 41.115 42.059 -0.603 0.000 0.891 543 L HN 0.146 nan 8.230 nan 0.000 0.431 544 R N -0.099 120.308 120.500 -0.155 0.000 2.094 544 R HA -0.178 4.162 4.340 -0.001 0.000 0.239 544 R C 2.408 178.673 176.300 -0.058 0.000 1.137 544 R CA 1.812 57.854 56.100 -0.097 0.000 0.943 544 R CB -0.304 29.927 30.300 -0.115 0.000 0.850 544 R HN 0.241 nan 8.270 nan 0.000 0.433 545 M N -0.605 118.946 119.600 -0.082 0.000 2.149 545 M HA -0.195 4.285 4.480 -0.001 0.000 0.261 545 M C 2.069 178.331 176.300 -0.063 0.000 1.064 545 M CA 1.421 56.673 55.300 -0.081 0.000 1.102 545 M CB -0.126 32.394 32.600 -0.132 0.000 1.369 545 M HN 0.063 nan 8.290 nan 0.000 0.408 546 V N 0.450 120.347 119.914 -0.028 0.000 2.261 546 V HA -0.286 3.834 4.120 -0.001 0.000 0.246 546 V C 1.717 177.869 176.094 0.096 0.000 1.047 546 V CA 2.017 64.355 62.300 0.063 0.000 1.015 546 V CB -0.776 31.194 31.823 0.244 0.000 0.642 546 V HN 0.389 nan 8.190 nan 0.000 0.446 547 D N 0.586 121.068 120.400 0.137 0.000 2.104 547 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 547 D C 2.317 178.679 176.300 0.104 0.000 0.994 547 D CA 2.120 56.213 54.000 0.154 0.000 0.830 547 D CB -0.563 40.343 40.800 0.176 0.000 0.959 547 D HN 0.630 nan 8.370 nan 0.000 0.452 548 T N -2.019 112.577 114.554 0.071 0.000 3.118 548 T HA 0.185 4.535 4.350 -0.001 0.000 0.260 548 T C 1.649 176.408 174.700 0.098 0.000 1.139 548 T CA 0.728 62.885 62.100 0.094 0.000 1.085 548 T CB -0.033 68.880 68.868 0.074 0.000 0.934 548 T HN 0.082 nan 8.240 nan 0.000 0.518 549 A N 0.828 123.645 122.820 -0.004 0.000 2.238 549 A HA 0.187 4.506 4.320 -0.001 0.000 0.208 549 A C 2.200 179.685 177.584 -0.166 0.000 1.177 549 A CA 0.059 52.018 52.037 -0.130 0.000 0.804 549 A CB -0.411 18.468 19.000 -0.202 0.000 0.823 549 A HN 0.320 nan 8.150 nan 0.000 0.482 550 E N 0.244 120.432 120.200 -0.020 0.000 2.035 550 E HA -0.271 4.079 4.350 -0.001 0.000 0.204 550 E C 1.745 178.345 176.600 0.001 0.000 1.025 550 E CA 2.217 58.621 56.400 0.007 0.000 0.835 550 E CB -0.657 29.103 29.700 0.100 0.000 0.764 550 E HN 0.928 nan 8.360 nan 0.000 0.457 551 Y N 0.285 120.575 120.300 -0.016 0.000 2.274 551 Y HA -0.059 4.491 4.550 -0.001 0.000 0.290 551 Y C 2.123 178.020 175.900 -0.004 0.000 1.145 551 Y CA 1.318 59.416 58.100 -0.004 0.000 1.203 551 Y CB -0.358 38.105 38.460 0.005 0.000 0.984 551 Y HN -0.107 nan 8.280 nan 0.000 0.533 552 K N 0.856 120.805 120.400 -0.752 0.000 2.097 552 K HA -0.127 4.193 4.320 -0.001 0.000 0.206 552 K C 2.084 178.555 176.600 -0.216 0.000 1.049 552 K CA 1.852 57.817 56.287 -0.537 0.000 0.933 552 K CB -0.147 32.018 32.500 -0.558 0.000 0.717 552 K HN 0.599 nan 8.250 nan 0.000 0.442 553 R N -0.099 120.269 120.500 -0.220 0.000 2.300 553 R HA 0.132 4.471 4.340 -0.001 0.000 0.199 553 R C 1.686 177.956 176.300 -0.049 0.000 0.920 553 R CA 0.080 56.081 56.100 -0.164 0.000 1.046 553 R CB 0.026 30.110 30.300 -0.359 0.000 0.984 553 R HN -0.018 nan 8.270 nan 0.000 0.493 554 R N 1.108 121.593 120.500 -0.025 0.000 2.115 554 R HA -0.014 4.325 4.340 -0.001 0.000 0.226 554 R C 1.323 177.646 176.300 0.038 0.000 1.100 554 R CA 1.193 57.307 56.100 0.024 0.000 0.980 554 R CB 0.035 30.365 30.300 0.050 0.000 0.875 554 R HN 0.425 nan 8.270 nan 0.000 0.445 555 Q N -0.697 119.126 119.800 0.038 0.000 2.247 555 Q HA 0.069 4.409 4.340 -0.001 0.000 0.204 555 Q C -0.636 175.381 176.000 0.028 0.000 0.872 555 Q CA -0.224 55.599 55.803 0.034 0.000 0.951 555 Q CB 0.466 29.226 28.738 0.036 0.000 1.099 555 Q HN 0.185 nan 8.270 nan 0.000 0.501 556 Y N 2.901 123.154 120.300 -0.078 0.000 2.346 556 Y HA 0.117 4.667 4.550 -0.001 0.000 0.330 556 Y C -1.857 173.992 175.900 -0.086 0.000 1.178 556 Y CA -2.291 55.754 58.100 -0.092 0.000 1.331 556 Y CB 0.537 38.923 38.460 -0.123 0.000 1.253 556 Y HN 0.066 nan 8.280 nan 0.000 0.529 557 P HA -0.005 nan 4.420 nan 0.000 0.269 557 P C -2.663 174.539 177.300 -0.164 0.000 1.211 557 P CA -0.817 62.110 63.100 -0.287 0.000 0.781 557 P CB -0.282 31.159 31.700 -0.431 0.000 0.877 558 P HA 0.245 nan 4.420 nan 0.000 0.272 558 P C 0.008 176.927 177.300 -0.634 0.000 1.223 558 P CA 0.374 63.337 63.100 -0.229 0.000 0.784 558 P CB 0.710 32.357 31.700 -0.089 0.000 0.923 559 G N 0.157 108.601 108.800 -0.593 0.000 2.608 559 G HA2 0.408 4.368 3.960 -0.001 0.000 0.291 559 G HA3 0.408 4.368 3.960 -0.001 0.000 0.291 559 G C -1.270 173.402 174.900 -0.381 0.000 1.425 559 G CA -0.515 44.024 45.100 -0.935 0.000 0.787 559 G HN 0.342 nan 8.290 nan 0.000 0.484 560 T N 2.297 116.712 114.554 -0.232 0.000 2.769 560 T HA 0.259 4.608 4.350 -0.001 0.000 0.293 560 T C 0.157 174.835 174.700 -0.038 0.000 0.931 560 T CA 0.074 62.166 62.100 -0.012 0.000 1.139 560 T CB 0.549 69.446 68.868 0.049 0.000 0.881 560 T HN 0.209 nan 8.240 nan 0.000 0.532 561 K N 3.693 124.086 120.400 -0.012 0.000 2.276 561 K HA 0.263 4.583 4.320 -0.001 0.000 0.285 561 K C 0.950 177.557 176.600 0.012 0.000 1.062 561 K CA -0.308 55.961 56.287 -0.030 0.000 0.918 561 K CB 0.946 33.420 32.500 -0.043 0.000 1.055 561 K HN 0.686 nan 8.250 nan 0.000 0.477 562 I N -0.715 119.845 120.570 -0.017 0.000 4.081 562 I HA 0.112 4.282 4.170 -0.001 0.000 0.333 562 I C 0.118 176.140 176.117 -0.159 0.000 1.413 562 I CA -0.446 60.848 61.300 -0.010 0.000 1.110 562 I CB 0.627 38.696 38.000 0.114 0.000 1.082 562 I HN 0.182 nan 8.210 nan 0.000 0.402 563 S N 0.073 115.683 115.700 -0.149 0.000 2.568 563 S HA 0.812 5.282 4.470 -0.001 0.000 0.293 563 S C 0.839 175.347 174.600 -0.153 0.000 1.089 563 S CA -0.266 57.835 58.200 -0.165 0.000 0.945 563 S CB 2.184 65.288 63.200 -0.160 0.000 1.077 563 S HN 0.150 nan 8.310 nan 0.000 0.485 564 A N 1.487 124.220 122.820 -0.145 0.000 1.898 564 A HA 0.125 4.445 4.320 -0.001 0.000 0.216 564 A C 0.787 178.300 177.584 -0.118 0.000 1.181 564 A CA 0.823 52.788 52.037 -0.121 0.000 0.620 564 A CB -0.499 18.435 19.000 -0.110 0.000 0.819 564 A HN 0.846 nan 8.150 nan 0.000 0.442 565 K N -2.194 118.124 120.400 -0.136 0.000 2.375 565 K HA 0.662 4.982 4.320 -0.001 0.000 0.249 565 K C 0.026 176.498 176.600 -0.214 0.000 0.942 565 K CA -0.371 55.825 56.287 -0.151 0.000 0.806 565 K CB 2.104 34.521 32.500 -0.140 0.000 1.227 565 K HN 0.264 nan 8.250 nan 0.000 0.430 566 G N 0.917 109.553 108.800 -0.273 0.000 2.649 566 G HA2 0.144 4.104 3.960 -0.001 0.000 0.078 566 G HA3 0.144 4.104 3.960 -0.001 0.000 0.078 566 G C -1.173 173.396 174.900 -0.551 0.000 1.110 566 G CA -0.575 44.234 45.100 -0.484 0.000 1.269 566 G HN 0.355 nan 8.290 nan 0.000 0.581 567 F N 3.265 123.160 119.950 -0.092 0.000 2.750 567 F HA 0.485 5.011 4.527 -0.001 0.000 0.297 567 F C 1.606 177.366 175.800 -0.067 0.000 1.138 567 F CA -0.607 57.345 58.000 -0.079 0.000 1.346 567 F CB 0.483 39.426 39.000 -0.096 0.000 0.965 567 F HN 0.437 nan 8.300 nan 0.000 0.514 568 G N 0.435 109.255 108.800 0.033 0.000 2.484 568 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.235 568 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.235 568 G C 0.944 175.866 174.900 0.037 0.000 1.282 568 G CA -0.396 44.712 45.100 0.012 0.000 0.857 568 G HN 0.340 nan 8.290 nan 0.000 0.571 569 K N 0.519 120.939 120.400 0.034 0.000 2.442 569 K HA -0.087 4.233 4.320 -0.001 0.000 0.198 569 K C 1.792 178.411 176.600 0.032 0.000 1.044 569 K CA 1.165 57.477 56.287 0.040 0.000 0.948 569 K CB 0.115 32.638 32.500 0.039 0.000 0.762 569 K HN 0.714 nan 8.250 nan 0.000 0.472 570 D N 0.668 121.078 120.400 0.016 0.000 2.097 570 D HA -0.126 4.514 4.640 -0.001 0.000 0.195 570 D C 0.323 176.631 176.300 0.015 0.000 0.989 570 D CA 1.122 55.129 54.000 0.011 0.000 0.827 570 D CB 0.359 41.152 40.800 -0.013 0.000 0.966 570 D HN -0.047 nan 8.370 nan 0.000 0.456 571 R N -0.396 120.111 120.500 0.012 0.000 2.514 571 R HA 0.558 4.897 4.340 -0.001 0.000 0.301 571 R C -0.620 175.702 176.300 0.037 0.000 0.962 571 R CA -0.699 55.408 56.100 0.012 0.000 0.882 571 R CB 1.719 32.010 30.300 -0.014 0.000 1.143 571 R HN 0.213 nan 8.270 nan 0.000 0.452 572 R N 2.273 122.797 120.500 0.039 0.000 2.663 572 R HA 0.400 4.740 4.340 -0.001 0.000 0.267 572 R C -1.391 174.942 176.300 0.055 0.000 1.038 572 R CA -0.919 55.216 56.100 0.059 0.000 0.886 572 R CB 0.982 31.317 30.300 0.059 0.000 1.249 572 R HN 0.314 nan 8.270 nan 0.000 0.463 573 L N 1.480 122.746 121.223 0.073 0.000 2.399 573 L HA 0.532 4.871 4.340 -0.001 0.000 0.265 573 L C -1.946 174.969 176.870 0.073 0.000 1.089 573 L CA -2.356 52.531 54.840 0.077 0.000 0.802 573 L CB 1.133 43.256 42.059 0.107 0.000 1.180 573 L HN 0.487 nan 8.230 nan 0.000 0.454 574 P HA 0.114 nan 4.420 nan 0.000 0.270 574 P C 0.550 177.898 177.300 0.080 0.000 1.223 574 P CA -0.069 63.071 63.100 0.066 0.000 0.785 574 P CB 0.801 32.538 31.700 0.061 0.000 0.923 575 I N -0.366 120.248 120.570 0.073 0.000 2.141 575 I HA -0.101 4.069 4.170 -0.001 0.000 0.236 575 I C 0.750 176.902 176.117 0.058 0.000 1.071 575 I CA 1.318 62.667 61.300 0.082 0.000 1.345 575 I CB -0.704 37.340 38.000 0.074 0.000 1.066 575 I HN 0.272 nan 8.210 nan 0.000 0.406 576 T N 3.152 117.727 114.554 0.036 0.000 2.754 576 T HA 0.118 4.468 4.350 -0.001 0.000 0.282 576 T C -0.222 174.510 174.700 0.054 0.000 0.923 576 T CA 0.270 62.388 62.100 0.029 0.000 1.164 576 T CB -0.562 68.317 68.868 0.017 0.000 0.873 576 T HN 0.251 nan 8.240 nan 0.000 0.537 577 N N 1.882 120.624 118.700 0.070 0.000 2.697 577 N HA 0.166 4.905 4.740 -0.001 0.000 0.271 577 N C 0.149 175.732 175.510 0.122 0.000 1.149 577 N CA -0.667 52.449 53.050 0.109 0.000 0.939 577 N CB 0.987 39.553 38.487 0.132 0.000 1.534 577 N HN 0.121 nan 8.380 nan 0.000 0.556 578 R N 1.549 122.131 120.500 0.137 0.000 2.334 578 R HA 0.107 4.446 4.340 -0.001 0.000 0.216 578 R C -0.138 176.268 176.300 0.176 0.000 0.905 578 R CA -0.215 55.958 56.100 0.122 0.000 1.064 578 R CB 0.025 30.382 30.300 0.096 0.000 1.046 578 R HN 0.588 nan 8.270 nan 0.000 0.508 579 W N 2.086 123.415 121.300 0.050 0.000 2.253 579 W HA 0.149 4.809 4.660 -0.001 0.000 0.322 579 W C -0.899 175.664 176.519 0.073 0.000 1.342 579 W CA -0.113 57.269 57.345 0.062 0.000 1.218 579 W CB 0.466 29.960 29.460 0.057 0.000 1.205 579 W HN -0.226 nan 8.180 nan 0.000 0.551 580 R N 4.048 124.061 120.500 -0.813 0.000 2.480 580 R HA 0.140 4.480 4.340 -0.001 0.000 0.306 580 R C -0.669 174.974 176.300 -1.096 0.000 0.958 580 R CA -0.627 55.057 56.100 -0.692 0.000 0.861 580 R CB 1.504 31.592 30.300 -0.353 0.000 1.171 580 R HN 0.446 nan 8.270 nan 0.000 0.445 581 E N 1.067 120.882 120.200 -0.640 0.000 2.366 581 E HA 0.409 4.758 4.350 -0.001 0.000 0.266 581 E C 0.301 176.756 176.600 -0.242 0.000 1.051 581 E CA 0.958 57.161 56.400 -0.328 0.000 0.884 581 E CB 0.849 30.539 29.700 -0.017 0.000 1.006 581 E HN 0.680 nan 8.360 nan 0.000 0.417 582 G N 2.547 111.277 108.800 -0.116 0.000 2.256 582 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.272 582 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.272 582 G C -0.087 174.752 174.900 -0.101 0.000 1.076 582 G CA 0.560 45.612 45.100 -0.079 0.000 0.882 582 G HN 0.746 nan 8.290 nan 0.000 0.497 583 H N 0.000 118.969 119.070 -0.169 0.000 2.539 583 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 583 H CA 0.000 55.959 56.048 -0.148 0.000 1.023 583 H CB 0.000 29.642 29.762 -0.199 0.000 1.292 583 H HN 0.000 nan 8.280 nan 0.000 0.496