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 1ug6_1_A DATA FIRST_RESID 4 DATA SEQUENCE NAEKFLWGVA TSAYQIEGAT QEDGRGPSIW DAFAQRPGAI RDGSTGEPAC DATA SEQUENCE DHYRRYEEDI ALMQSLGVRA YRFSVAWPRI LPEGRGRINP KGLAFYDRLV DATA SEQUENCE DRLLASGITP FLTLYHWDLP LALEERGGWR SRETAFAFAE YAEAVARALA DATA SEQUENCE DRVPFFATLN EPWCSAFLGH WTGEHAPGLR NLEAALRAAH HLLLGHGLAV DATA SEQUENCE EALRAAGARR VGIVLNFAPA YGEDPEAVDV ADRYHNRFFL DPILGKGYPE DATA SEQUENCE SPFRDPPPVP ILSRDLELVA RPLDFLGVNY YAPVRVAPGT GTLPVRYLPP DATA SEQUENCE EGPATAMGWE VYPEGLYHLL KRLGREVPWP LYVTENGAAY PDLWTGEAVV DATA SEQUENCE EDPERVAYLE AHVEAALRAR EEGVDLRGYF VWSLMDNFEW AFGYTRRFGL DATA SEQUENCE YYVDFPSQRR IPKRSALWYR ERIARA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.551 175.510 0.068 0.000 1.280 4 N CA 0.000 53.097 53.050 0.078 0.000 0.885 4 N CB 0.000 38.544 38.487 0.096 0.000 1.341 5 A N 1.449 124.312 122.820 0.072 0.000 2.661 5 A HA 0.292 4.611 4.320 -0.001 0.000 0.278 5 A C -0.383 177.247 177.584 0.077 0.000 1.090 5 A CA -0.232 51.844 52.037 0.065 0.000 0.969 5 A CB 0.106 19.138 19.000 0.054 0.000 1.240 5 A HN 0.478 nan 8.150 nan 0.000 0.578 6 E N 1.704 121.960 120.200 0.094 0.000 2.398 6 E HA 0.132 4.481 4.350 -0.001 0.000 0.263 6 E C -0.271 176.392 176.600 0.105 0.000 1.046 6 E CA 0.219 56.683 56.400 0.107 0.000 0.908 6 E CB 0.621 30.406 29.700 0.141 0.000 0.963 6 E HN 0.370 nan 8.360 nan 0.000 0.431 7 K N 1.332 121.796 120.400 0.105 0.000 2.319 7 K HA 0.055 4.375 4.320 -0.001 0.000 0.265 7 K C 0.368 177.045 176.600 0.129 0.000 1.000 7 K CA -0.310 56.050 56.287 0.122 0.000 0.943 7 K CB 0.300 32.873 32.500 0.121 0.000 0.950 7 K HN 0.329 nan 8.250 nan 0.000 0.485 8 F N 2.565 122.480 119.950 -0.058 0.000 2.629 8 F HA -0.051 4.476 4.527 -0.001 0.000 0.377 8 F C -0.062 175.601 175.800 -0.229 0.000 1.101 8 F CA 0.191 58.078 58.000 -0.188 0.000 1.301 8 F CB 0.276 39.088 39.000 -0.314 0.000 1.062 8 F HN 0.262 nan 8.300 nan 0.000 0.583 9 L N 6.782 127.562 121.223 -0.739 0.000 2.257 9 L HA 0.161 4.501 4.340 -0.001 0.000 0.290 9 L C -1.047 175.368 176.870 -0.759 0.000 1.044 9 L CA -0.470 54.055 54.840 -0.525 0.000 0.810 9 L CB 0.504 42.347 42.059 -0.360 0.000 1.193 9 L HN 0.657 nan 8.230 nan 0.000 0.425 10 W N 3.311 124.455 121.300 -0.259 0.000 2.335 10 W HA 0.586 5.245 4.660 -0.001 0.000 0.307 10 W C 0.647 176.995 176.519 -0.285 0.000 1.117 10 W CA -0.312 56.932 57.345 -0.169 0.000 1.228 10 W CB 1.683 31.077 29.460 -0.111 0.000 1.240 10 W HN 0.485 nan 8.180 nan 0.000 0.468 11 G N 1.131 109.822 108.800 -0.182 0.000 2.818 11 G HA2 0.750 4.709 3.960 -0.001 0.000 0.286 11 G HA3 0.750 4.709 3.960 -0.001 0.000 0.286 11 G C -1.259 173.775 174.900 0.223 0.000 1.364 11 G CA -0.897 44.014 45.100 -0.315 0.000 0.938 11 G HN 0.605 nan 8.290 nan 0.000 0.490 12 V N -3.385 116.767 119.914 0.396 0.000 3.040 12 V HA 0.975 5.095 4.120 -0.001 0.000 0.312 12 V C -0.184 176.195 176.094 0.476 0.000 1.115 12 V CA -0.818 61.730 62.300 0.413 0.000 0.998 12 V CB 1.363 33.393 31.823 0.345 0.000 1.042 12 V HN 1.792 nan 8.190 nan 0.000 0.433 13 A N 1.954 124.946 122.820 0.286 0.000 2.386 13 A HA 1.034 5.354 4.320 -0.001 0.000 0.311 13 A C -0.081 177.423 177.584 -0.132 0.000 1.068 13 A CA 0.026 52.180 52.037 0.195 0.000 0.743 13 A CB 1.887 21.111 19.000 0.375 0.000 1.258 13 A HN 1.988 nan 8.150 nan 0.000 0.429 14 T N -1.611 112.888 114.554 -0.091 0.000 2.696 14 T HA 0.883 5.232 4.350 -0.001 0.000 0.291 14 T C -0.211 174.495 174.700 0.010 0.000 1.095 14 T CA 0.008 61.938 62.100 -0.284 0.000 1.026 14 T CB 1.231 70.021 68.868 -0.130 0.000 1.390 14 T HN 2.130 nan 8.240 nan 0.000 0.513 15 S N -1.041 114.619 115.700 -0.066 0.000 2.570 15 S HA 0.732 5.201 4.470 -0.001 0.000 0.270 15 S C 1.167 175.750 174.600 -0.029 0.000 1.149 15 S CA -0.288 57.802 58.200 -0.183 0.000 0.837 15 S CB 1.157 63.847 63.200 -0.850 0.000 1.124 15 S HN 1.470 nan 8.310 nan 0.000 0.465 16 A N 1.190 124.072 122.820 0.104 0.000 1.858 16 A HA 0.016 4.336 4.320 -0.001 0.000 0.216 16 A C 1.839 179.522 177.584 0.165 0.000 1.190 16 A CA 1.763 53.948 52.037 0.246 0.000 0.617 16 A CB -1.553 17.676 19.000 0.381 0.000 0.827 16 A HN 1.147 nan 8.150 nan 0.000 0.443 17 Y N 0.736 121.065 120.300 0.048 0.000 2.274 17 Y HA -0.182 4.367 4.550 -0.001 0.000 0.290 17 Y C 2.454 178.247 175.900 -0.178 0.000 1.145 17 Y CA 2.064 60.148 58.100 -0.027 0.000 1.203 17 Y CB -0.243 38.243 38.460 0.043 0.000 0.984 17 Y HN 0.460 nan 8.280 nan 0.000 0.533 18 Q N -0.484 119.168 119.800 -0.246 0.000 2.297 18 Q HA -0.045 4.295 4.340 -0.001 0.000 0.204 18 Q C 1.846 177.741 176.000 -0.175 0.000 0.962 18 Q CA 1.741 57.351 55.803 -0.321 0.000 0.879 18 Q CB 0.059 28.580 28.738 -0.362 0.000 0.947 18 Q HN 0.780 nan 8.270 nan 0.000 0.462 19 I N -4.703 115.805 120.570 -0.103 0.000 4.624 19 I HA 0.177 4.346 4.170 -0.001 0.000 0.327 19 I C 1.449 177.609 176.117 0.072 0.000 1.295 19 I CA -0.001 61.294 61.300 -0.008 0.000 1.267 19 I CB 0.281 38.251 38.000 -0.051 0.000 1.249 19 I HN -0.132 nan 8.210 nan 0.000 0.440 20 E N 2.350 122.588 120.200 0.064 0.000 2.112 20 E HA 0.169 4.518 4.350 -0.001 0.000 0.190 20 E C 1.540 178.161 176.600 0.035 0.000 0.979 20 E CA 0.863 57.351 56.400 0.147 0.000 0.814 20 E CB -0.094 29.689 29.700 0.137 0.000 0.762 20 E HN 0.649 nan 8.360 nan 0.000 0.460 21 G N 0.911 109.661 108.800 -0.084 0.000 2.575 21 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.267 21 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.267 21 G C 0.466 175.272 174.900 -0.157 0.000 1.264 21 G CA 0.333 45.365 45.100 -0.114 0.000 0.935 21 G HN 0.979 nan 8.290 nan 0.000 0.568 22 A N -2.306 120.418 122.820 -0.160 0.000 2.640 22 A HA 0.039 4.358 4.320 -0.001 0.000 0.300 22 A C 2.204 179.633 177.584 -0.259 0.000 1.499 22 A CA 2.776 54.646 52.037 -0.278 0.000 0.759 22 A CB -2.293 16.330 19.000 -0.629 0.000 1.048 22 A HN 2.827 nan 8.150 nan 0.000 0.450 23 T N -3.223 111.249 114.554 -0.137 0.000 2.915 23 T HA -0.043 4.306 4.350 -0.001 0.000 0.269 23 T C 1.040 175.712 174.700 -0.046 0.000 1.071 23 T CA 1.736 63.801 62.100 -0.058 0.000 1.132 23 T CB -0.114 68.756 68.868 0.003 0.000 0.878 23 T HN 0.748 nan 8.240 nan 0.000 0.479 24 Q N 0.574 120.335 119.800 -0.065 0.000 2.129 24 Q HA 0.337 4.677 4.340 -0.001 0.000 0.274 24 Q C -0.769 175.193 176.000 -0.063 0.000 0.854 24 Q CA -0.172 55.605 55.803 -0.044 0.000 1.123 24 Q CB 0.932 29.659 28.738 -0.019 0.000 1.226 24 Q HN 0.624 nan 8.270 nan 0.000 0.454 25 E N 0.483 120.611 120.200 -0.120 0.000 2.244 25 E HA 0.183 4.532 4.350 -0.001 0.000 0.266 25 E C -0.805 175.714 176.600 -0.136 0.000 0.914 25 E CA -0.888 55.440 56.400 -0.120 0.000 0.794 25 E CB 1.121 30.733 29.700 -0.146 0.000 1.210 25 E HN 0.029 nan 8.360 nan 0.000 0.414 26 D N 0.978 121.349 120.400 -0.048 0.000 2.708 26 D HA -0.191 4.448 4.640 -0.001 0.000 0.236 26 D C 0.735 177.039 176.300 0.006 0.000 1.146 26 D CA 1.763 55.766 54.000 0.006 0.000 0.662 26 D CB -1.266 39.566 40.800 0.053 0.000 1.059 26 D HN 0.925 nan 8.370 nan 0.000 0.428 27 G N -0.335 108.468 108.800 0.004 0.000 2.179 27 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.260 27 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.260 27 G C 0.445 175.362 174.900 0.028 0.000 0.977 27 G CA 0.407 45.523 45.100 0.027 0.000 0.641 27 G HN 0.673 nan 8.290 nan 0.000 0.533 28 R N 0.988 121.487 120.500 -0.002 0.000 2.570 28 R HA 0.442 4.781 4.340 -0.001 0.000 0.277 28 R C 1.114 177.430 176.300 0.026 0.000 1.039 28 R CA 0.637 56.748 56.100 0.019 0.000 1.065 28 R CB -0.015 30.269 30.300 -0.025 0.000 0.964 28 R HN 0.353 nan 8.270 nan 0.000 0.428 29 G N 4.220 113.045 108.800 0.041 0.000 2.502 29 G HA2 0.390 4.349 3.960 -0.001 0.000 0.305 29 G HA3 0.390 4.349 3.960 -0.001 0.000 0.305 29 G C -2.419 172.497 174.900 0.026 0.000 1.190 29 G CA -1.302 43.811 45.100 0.022 0.000 0.933 29 G HN 0.547 nan 8.290 nan 0.000 0.503 30 P HA 0.196 nan 4.420 nan 0.000 0.275 30 P C -0.024 177.277 177.300 0.001 0.000 1.228 30 P CA -0.175 62.939 63.100 0.023 0.000 0.786 30 P CB 1.552 33.258 31.700 0.011 0.000 0.927 31 S N 1.594 117.309 115.700 0.025 0.000 2.747 31 S HA 0.338 4.808 4.470 -0.001 0.000 0.300 31 S C 1.620 176.214 174.600 -0.011 0.000 1.121 31 S CA -0.779 57.427 58.200 0.009 0.000 0.995 31 S CB 0.372 63.612 63.200 0.067 0.000 1.113 31 S HN 0.486 nan 8.310 nan 0.000 0.547 32 I N -2.600 117.955 120.570 -0.024 0.000 2.335 32 I HA -0.018 4.151 4.170 -0.001 0.000 0.251 32 I C 1.717 177.746 176.117 -0.146 0.000 1.129 32 I CA 1.071 62.309 61.300 -0.103 0.000 1.402 32 I CB -0.465 37.439 38.000 -0.159 0.000 1.069 32 I HN 0.635 nan 8.210 nan 0.000 0.424 33 W N 2.190 123.420 121.300 -0.116 0.000 2.436 33 W HA -0.058 4.602 4.660 -0.001 0.000 0.284 33 W C 2.031 178.488 176.519 -0.103 0.000 1.225 33 W CA 1.419 58.688 57.345 -0.127 0.000 1.271 33 W CB -0.343 28.867 29.460 -0.417 0.000 1.114 33 W HN 0.185 nan 8.180 nan 0.000 0.559 34 D N -0.104 120.319 120.400 0.039 0.000 2.117 34 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 34 D C 2.257 178.623 176.300 0.110 0.000 0.987 34 D CA 1.976 56.055 54.000 0.131 0.000 0.829 34 D CB -0.596 40.274 40.800 0.116 0.000 0.961 34 D HN 0.082 nan 8.370 nan 0.000 0.460 35 A N 0.083 122.941 122.820 0.065 0.000 1.872 35 A HA -0.100 4.219 4.320 -0.001 0.000 0.214 35 A C 1.968 179.597 177.584 0.075 0.000 1.187 35 A CA 0.730 52.795 52.037 0.047 0.000 0.614 35 A CB -0.947 18.059 19.000 0.011 0.000 0.826 35 A HN 0.265 nan 8.150 nan 0.000 0.442 36 F N 1.233 121.112 119.950 -0.117 0.000 2.171 36 F HA -0.084 4.443 4.527 -0.001 0.000 0.300 36 F C 2.369 178.159 175.800 -0.017 0.000 1.090 36 F CA 1.104 59.008 58.000 -0.160 0.000 1.293 36 F CB -0.343 38.396 39.000 -0.436 0.000 1.013 36 F HN 0.220 nan 8.300 nan 0.000 0.486 37 A N -0.582 122.322 122.820 0.140 0.000 2.168 37 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 37 A C 1.900 179.509 177.584 0.041 0.000 1.152 37 A CA 0.884 53.007 52.037 0.143 0.000 0.716 37 A CB -0.507 18.700 19.000 0.346 0.000 0.794 37 A HN 0.463 nan 8.150 nan 0.000 0.465 38 Q N 0.003 119.809 119.800 0.011 0.000 2.451 38 Q HA 0.052 4.391 4.340 -0.001 0.000 0.206 38 Q C 0.125 176.092 176.000 -0.054 0.000 0.947 38 Q CA 0.390 56.189 55.803 -0.006 0.000 0.937 38 Q CB 0.033 28.777 28.738 0.009 0.000 1.025 38 Q HN 0.629 nan 8.270 nan 0.000 0.511 39 R N 1.801 122.222 120.500 -0.131 0.000 2.298 39 R HA 0.238 4.577 4.340 -0.001 0.000 0.310 39 R C -2.262 173.948 176.300 -0.150 0.000 1.068 39 R CA -1.702 54.304 56.100 -0.156 0.000 0.957 39 R CB 0.072 30.222 30.300 -0.250 0.000 1.003 39 R HN -0.079 nan 8.270 nan 0.000 0.454 40 P HA -0.021 nan 4.420 nan 0.000 0.265 40 P C 0.693 177.935 177.300 -0.098 0.000 1.193 40 P CA 0.764 63.820 63.100 -0.073 0.000 0.765 40 P CB 0.772 32.444 31.700 -0.046 0.000 0.823 41 G N 2.415 111.164 108.800 -0.085 0.000 2.225 41 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.254 41 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.254 41 G C 1.175 175.993 174.900 -0.137 0.000 0.988 41 G CA 0.495 45.542 45.100 -0.088 0.000 0.625 41 G HN 0.685 nan 8.290 nan 0.000 0.527 42 A N -0.413 122.259 122.820 -0.245 0.000 1.930 42 A HA 0.472 4.791 4.320 -0.001 0.000 0.217 42 A C 1.094 178.575 177.584 -0.172 0.000 1.175 42 A CA 1.594 53.374 52.037 -0.428 0.000 0.627 42 A CB -0.027 18.324 19.000 -1.082 0.000 0.815 42 A HN 0.678 nan 8.150 nan 0.000 0.443 43 I N -1.079 119.448 120.570 -0.072 0.000 2.433 43 I HA 0.329 4.498 4.170 -0.001 0.000 0.292 43 I C 1.172 177.287 176.117 -0.004 0.000 1.001 43 I CA -0.493 60.831 61.300 0.041 0.000 1.119 43 I CB 1.274 39.387 38.000 0.188 0.000 1.289 43 I HN 0.343 nan 8.210 nan 0.000 0.438 44 R N 3.580 124.051 120.500 -0.048 0.000 2.103 44 R HA -0.193 4.146 4.340 -0.001 0.000 0.242 44 R C 0.839 177.152 176.300 0.022 0.000 1.142 44 R CA 2.406 58.484 56.100 -0.037 0.000 0.960 44 R CB 0.190 30.463 30.300 -0.045 0.000 0.858 44 R HN 0.776 nan 8.270 nan 0.000 0.439 45 D N -1.891 118.543 120.400 0.056 0.000 2.368 45 D HA 0.105 4.744 4.640 -0.001 0.000 0.218 45 D C 0.813 177.172 176.300 0.098 0.000 1.112 45 D CA 0.549 54.601 54.000 0.086 0.000 0.834 45 D CB 0.360 41.234 40.800 0.122 0.000 0.953 45 D HN 0.371 nan 8.370 nan 0.000 0.505 46 G N 0.545 109.398 108.800 0.088 0.000 2.179 46 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.257 46 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.257 46 G C 0.383 175.365 174.900 0.137 0.000 1.010 46 G CA 0.710 45.863 45.100 0.088 0.000 0.736 46 G HN 0.811 nan 8.290 nan 0.000 0.513 47 S N -1.054 114.778 115.700 0.220 0.000 2.738 47 S HA 0.915 5.384 4.470 -0.001 0.000 0.284 47 S C 0.254 175.062 174.600 0.346 0.000 1.146 47 S CA 0.642 59.027 58.200 0.307 0.000 0.997 47 S CB 2.525 66.021 63.200 0.494 0.000 1.081 47 S HN 1.718 nan 8.310 nan 0.000 0.553 48 T N -3.978 110.716 114.554 0.234 0.000 2.716 48 T HA 0.637 4.986 4.350 -0.001 0.000 0.286 48 T C 0.937 175.318 174.700 -0.531 0.000 1.052 48 T CA -0.319 61.749 62.100 -0.054 0.000 1.024 48 T CB 0.788 69.674 68.868 0.030 0.000 1.349 48 T HN 0.929 nan 8.240 nan 0.000 0.525 49 G N -0.396 107.881 108.800 -0.871 0.000 2.882 49 G HA2 0.249 4.209 3.960 -0.001 0.000 0.206 49 G HA3 0.249 4.209 3.960 -0.001 0.000 0.206 49 G C 0.214 174.807 174.900 -0.512 0.000 1.155 49 G CA 0.245 44.663 45.100 -1.137 0.000 0.800 49 G HN 0.831 nan 8.290 nan 0.000 0.524 50 E N 0.930 120.984 120.200 -0.242 0.000 2.165 50 E HA 0.408 4.757 4.350 -0.001 0.000 0.266 50 E C -1.781 174.765 176.600 -0.090 0.000 0.889 50 E CA -2.284 54.031 56.400 -0.141 0.000 0.756 50 E CB 2.092 31.746 29.700 -0.077 0.000 1.131 50 E HN 0.021 nan 8.360 nan 0.000 0.411 51 P HA 0.272 nan 4.420 nan 0.000 0.266 51 P C 0.198 177.468 177.300 -0.049 0.000 1.381 51 P CA 0.673 63.730 63.100 -0.072 0.000 0.940 51 P CB 0.308 31.985 31.700 -0.038 0.000 1.435 52 A N 0.833 123.638 122.820 -0.026 0.000 5.382 52 A HA -0.292 4.028 4.320 -0.001 0.000 0.307 52 A C 1.378 179.076 177.584 0.189 0.000 1.937 52 A CA 1.494 53.583 52.037 0.086 0.000 0.715 52 A CB -2.209 16.747 19.000 -0.072 0.000 1.293 52 A HN 0.359 nan 8.150 nan 0.000 0.374 53 C N -0.167 119.245 119.300 0.187 0.000 2.780 53 C HA 0.493 4.952 4.460 -0.001 0.000 0.287 53 C C 0.931 176.002 174.990 0.134 0.000 1.288 53 C CA 0.928 60.062 59.018 0.194 0.000 1.713 53 C CB -0.991 26.843 27.740 0.158 0.000 1.955 53 C HN 1.047 nan 8.230 nan 0.000 0.613 54 D N 0.507 120.971 120.400 0.107 0.000 2.811 54 D HA -0.248 4.391 4.640 -0.001 0.000 0.231 54 D C 1.013 177.392 176.300 0.131 0.000 1.157 54 D CA 1.014 55.066 54.000 0.087 0.000 0.716 54 D CB -1.482 39.347 40.800 0.049 0.000 1.077 54 D HN 0.734 nan 8.370 nan 0.000 0.428 55 H N -1.214 117.911 119.070 0.092 0.000 2.423 55 H HA -0.177 4.378 4.556 -0.001 0.000 0.297 55 H C 1.746 177.216 175.328 0.237 0.000 1.075 55 H CA 1.574 57.712 56.048 0.149 0.000 1.342 55 H CB -0.080 29.784 29.762 0.170 0.000 1.395 55 H HN 0.523 nan 8.280 nan 0.000 0.530 56 Y N 1.656 121.915 120.300 -0.068 0.000 2.193 56 Y HA -0.220 4.329 4.550 -0.001 0.000 0.285 56 Y C 2.202 178.071 175.900 -0.052 0.000 1.166 56 Y CA 1.715 59.621 58.100 -0.324 0.000 1.181 56 Y CB 0.055 38.250 38.460 -0.441 0.000 0.976 56 Y HN 0.102 nan 8.280 nan 0.000 0.520 57 R N -0.354 120.176 120.500 0.051 0.000 2.156 57 R HA 0.149 4.488 4.340 -0.001 0.000 0.207 57 R C 1.562 177.806 176.300 -0.094 0.000 1.040 57 R CA 0.833 56.933 56.100 -0.000 0.000 1.013 57 R CB -0.266 30.046 30.300 0.021 0.000 0.931 57 R HN 0.345 nan 8.270 nan 0.000 0.465 58 R N 0.927 121.367 120.500 -0.101 0.000 2.427 58 R HA 0.088 4.427 4.340 -0.001 0.000 0.262 58 R C 1.268 177.410 176.300 -0.264 0.000 0.943 58 R CA -0.121 55.873 56.100 -0.176 0.000 1.081 58 R CB 0.078 30.333 30.300 -0.074 0.000 1.166 58 R HN 0.291 nan 8.270 nan 0.000 0.534 59 Y N 0.203 120.303 120.300 -0.334 0.000 2.256 59 Y HA -0.077 4.472 4.550 -0.001 0.000 0.288 59 Y C 1.659 177.444 175.900 -0.190 0.000 1.155 59 Y CA 0.790 58.637 58.100 -0.421 0.000 1.203 59 Y CB -0.289 37.827 38.460 -0.574 0.000 0.980 59 Y HN -0.095 nan 8.280 nan 0.000 0.530 60 E N 0.996 120.701 120.200 -0.826 0.000 2.072 60 E HA -0.235 4.114 4.350 -0.001 0.000 0.191 60 E C 2.083 178.525 176.600 -0.264 0.000 0.985 60 E CA 1.369 57.489 56.400 -0.467 0.000 0.801 60 E CB -0.267 29.125 29.700 -0.514 0.000 0.750 60 E HN 0.801 nan 8.360 nan 0.000 0.452 61 E N 0.893 120.937 120.200 -0.259 0.000 2.085 61 E HA -0.216 4.133 4.350 -0.001 0.000 0.194 61 E C 1.371 177.862 176.600 -0.181 0.000 0.994 61 E CA 1.432 57.717 56.400 -0.192 0.000 0.801 61 E CB 0.123 29.717 29.700 -0.177 0.000 0.743 61 E HN 0.093 nan 8.360 nan 0.000 0.453 62 D N 0.428 120.741 120.400 -0.145 0.000 2.144 62 D HA -0.126 4.514 4.640 -0.001 0.000 0.200 62 D C 2.064 178.260 176.300 -0.174 0.000 0.978 62 D CA 0.873 54.790 54.000 -0.138 0.000 0.833 62 D CB -0.190 40.626 40.800 0.027 0.000 0.961 62 D HN 0.337 nan 8.370 nan 0.000 0.470 63 I N 1.151 121.635 120.570 -0.144 0.000 2.226 63 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 63 I C 2.433 178.479 176.117 -0.119 0.000 1.100 63 I CA 0.931 62.142 61.300 -0.147 0.000 1.374 63 I CB -0.186 37.756 38.000 -0.097 0.000 1.057 63 I HN -0.076 nan 8.210 nan 0.000 0.413 64 A N 0.905 123.653 122.820 -0.120 0.000 1.933 64 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 64 A C 2.297 179.824 177.584 -0.096 0.000 1.175 64 A CA 1.292 53.270 52.037 -0.098 0.000 0.628 64 A CB -0.734 18.205 19.000 -0.103 0.000 0.814 64 A HN 0.377 nan 8.150 nan 0.000 0.444 65 L N -1.246 119.885 121.223 -0.154 0.000 2.017 65 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 65 L C 2.898 179.748 176.870 -0.033 0.000 1.073 65 L CA 1.638 56.376 54.840 -0.170 0.000 0.745 65 L CB -0.556 41.206 42.059 -0.495 0.000 0.894 65 L HN 0.422 nan 8.230 nan 0.000 0.432 66 M N -0.862 118.705 119.600 -0.055 0.000 2.080 66 M HA -0.285 4.194 4.480 -0.001 0.000 0.260 66 M C 2.397 178.706 176.300 0.014 0.000 1.068 66 M CA 1.792 57.097 55.300 0.009 0.000 1.109 66 M CB -0.475 32.100 32.600 -0.042 0.000 1.342 66 M HN 0.307 nan 8.290 nan 0.000 0.405 67 Q N 0.103 119.894 119.800 -0.014 0.000 2.124 67 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 67 Q C 2.101 178.098 176.000 -0.005 0.000 0.977 67 Q CA 2.109 57.906 55.803 -0.009 0.000 0.850 67 Q CB -0.014 28.712 28.738 -0.020 0.000 0.901 67 Q HN 0.591 nan 8.270 nan 0.000 0.429 68 S N -0.181 115.522 115.700 0.004 0.000 2.402 68 S HA -0.090 4.379 4.470 -0.001 0.000 0.229 68 S C 1.789 176.400 174.600 0.019 0.000 1.021 68 S CA 0.785 58.994 58.200 0.015 0.000 0.974 68 S CB -0.328 62.893 63.200 0.035 0.000 0.800 68 S HN 0.463 nan 8.310 nan 0.000 0.484 69 L N 0.787 122.033 121.223 0.038 0.000 2.554 69 L HA 0.269 4.609 4.340 -0.001 0.000 0.226 69 L C 1.954 178.770 176.870 -0.091 0.000 1.137 69 L CA 0.437 55.277 54.840 -0.000 0.000 0.863 69 L CB -0.893 41.210 42.059 0.074 0.000 0.985 69 L HN 0.632 nan 8.230 nan 0.000 0.451 70 G N 0.345 109.107 108.800 -0.062 0.000 2.136 70 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.242 70 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.242 70 G C 0.291 175.147 174.900 -0.073 0.000 0.989 70 G CA 0.069 45.120 45.100 -0.082 0.000 0.682 70 G HN 0.106 nan 8.290 nan 0.000 0.522 71 V N 0.935 120.830 119.914 -0.033 0.000 2.599 71 V HA 0.223 4.342 4.120 -0.001 0.000 0.300 71 V C 1.521 177.649 176.094 0.057 0.000 1.034 71 V CA 0.430 62.745 62.300 0.026 0.000 1.115 71 V CB 1.190 33.077 31.823 0.107 0.000 0.934 71 V HN 0.374 nan 8.190 nan 0.000 0.485 72 R N 2.774 123.319 120.500 0.075 0.000 2.437 72 R HA 0.509 4.848 4.340 -0.001 0.000 0.257 72 R C 0.117 176.475 176.300 0.097 0.000 0.927 72 R CA 0.344 56.494 56.100 0.083 0.000 1.078 72 R CB 0.719 31.072 30.300 0.087 0.000 1.161 72 R HN 0.707 nan 8.270 nan 0.000 0.529 73 A N 0.388 123.263 122.820 0.091 0.000 2.486 73 A HA 0.584 4.903 4.320 -0.001 0.000 0.300 73 A C -1.982 175.825 177.584 0.371 0.000 1.048 73 A CA -0.617 51.530 52.037 0.184 0.000 0.696 73 A CB 1.617 20.631 19.000 0.024 0.000 1.278 73 A HN 0.138 nan 8.150 nan 0.000 0.405 74 Y N 1.750 122.263 120.300 0.355 0.000 2.326 74 Y HA 0.602 5.151 4.550 -0.001 0.000 0.329 74 Y C -0.088 176.111 175.900 0.498 0.000 0.973 74 Y CA -0.902 57.431 58.100 0.389 0.000 1.162 74 Y CB 1.268 39.896 38.460 0.279 0.000 1.147 74 Y HN 0.777 nan 8.280 nan 0.000 0.456 75 R N 7.239 127.801 120.500 0.104 0.000 2.221 75 R HA 0.545 4.884 4.340 -0.001 0.000 0.327 75 R C -1.629 174.447 176.300 -0.373 0.000 1.033 75 R CA -0.237 55.747 56.100 -0.193 0.000 0.887 75 R CB 0.247 30.263 30.300 -0.472 0.000 1.057 75 R HN 0.585 nan 8.270 nan 0.000 0.455 76 F N 0.798 120.468 119.950 -0.466 0.000 2.664 76 F HA 0.625 5.151 4.527 -0.001 0.000 0.317 76 F C -1.100 174.638 175.800 -0.104 0.000 1.108 76 F CA -1.169 56.597 58.000 -0.390 0.000 0.957 76 F CB 1.309 39.992 39.000 -0.528 0.000 1.365 76 F HN 0.410 nan 8.300 nan 0.000 0.475 77 S N 0.707 116.449 115.700 0.070 0.000 2.568 77 S HA 0.822 5.291 4.470 -0.001 0.000 0.302 77 S C -1.264 173.466 174.600 0.216 0.000 1.082 77 S CA -0.687 57.540 58.200 0.046 0.000 1.009 77 S CB 1.671 64.949 63.200 0.130 0.000 1.069 77 S HN 0.761 nan 8.310 nan 0.000 0.500 78 V N 2.044 121.982 119.914 0.039 0.000 2.465 78 V HA 0.627 4.746 4.120 -0.001 0.000 0.279 78 V C 0.711 176.932 176.094 0.212 0.000 1.045 78 V CA -0.503 61.693 62.300 -0.174 0.000 0.938 78 V CB 0.933 32.573 31.823 -0.304 0.000 0.986 78 V HN 1.136 nan 8.190 nan 0.000 0.467 79 A N 5.340 128.364 122.820 0.340 0.000 2.350 79 A HA 0.173 4.492 4.320 -0.001 0.000 0.293 79 A C 0.677 178.516 177.584 0.425 0.000 1.231 79 A CA -0.374 51.917 52.037 0.424 0.000 0.883 79 A CB -0.237 19.031 19.000 0.446 0.000 1.133 79 A HN 1.024 nan 8.150 nan 0.000 0.533 80 W N 5.811 127.166 121.300 0.092 0.000 2.304 80 W HA -0.134 4.525 4.660 -0.001 0.000 0.315 80 W C -1.291 175.189 176.519 -0.065 0.000 1.233 80 W CA 2.503 59.663 57.345 -0.310 0.000 1.261 80 W CB -1.119 27.999 29.460 -0.570 0.000 1.150 80 W HN 0.598 nan 8.180 nan 0.000 0.494 81 P HA -0.103 nan 4.420 nan 0.000 0.237 81 P C 1.478 178.886 177.300 0.180 0.000 1.178 81 P CA 1.355 64.521 63.100 0.110 0.000 0.766 81 P CB -0.358 31.363 31.700 0.036 0.000 0.876 82 R N -0.362 120.298 120.500 0.268 0.000 2.240 82 R HA 0.039 4.378 4.340 -0.001 0.000 0.203 82 R C 1.721 178.217 176.300 0.327 0.000 1.011 82 R CA 0.581 56.850 56.100 0.283 0.000 1.007 82 R CB -0.093 30.432 30.300 0.375 0.000 0.911 82 R HN 0.070 nan 8.270 nan 0.000 0.468 83 I N -0.048 120.744 120.570 0.371 0.000 2.685 83 I HA 0.029 4.198 4.170 -0.001 0.000 0.251 83 I C 0.402 176.700 176.117 0.302 0.000 1.102 83 I CA 0.785 62.306 61.300 0.368 0.000 1.442 83 I CB -0.213 38.066 38.000 0.465 0.000 1.194 83 I HN -0.005 nan 8.210 nan 0.000 0.448 84 L N 1.710 123.130 121.223 0.329 0.000 2.384 84 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 84 L C -1.840 175.125 176.870 0.157 0.000 1.024 84 L CA -1.051 53.947 54.840 0.264 0.000 0.899 84 L CB 1.527 43.808 42.059 0.369 0.000 1.243 84 L HN -0.139 nan 8.230 nan 0.000 0.449 85 P HA -0.125 nan 4.420 nan 0.000 0.220 85 P C 0.541 177.833 177.300 -0.013 0.000 1.148 85 P CA 1.066 64.194 63.100 0.048 0.000 0.803 85 P CB 0.371 32.102 31.700 0.051 0.000 0.782 86 E N -2.047 118.149 120.200 -0.007 0.000 2.465 86 E HA 0.292 4.642 4.350 -0.001 0.000 0.195 86 E C 1.456 178.004 176.600 -0.087 0.000 1.028 86 E CA 0.489 56.860 56.400 -0.047 0.000 0.899 86 E CB -0.470 29.220 29.700 -0.017 0.000 1.032 86 E HN 0.111 nan 8.360 nan 0.000 0.468 87 G N 0.677 109.416 108.800 -0.101 0.000 2.417 87 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.233 87 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.233 87 G C 0.589 175.627 174.900 0.229 0.000 1.103 87 G CA 0.250 45.252 45.100 -0.164 0.000 0.647 87 G HN 0.262 nan 8.290 nan 0.000 0.512 88 R N -0.736 119.840 120.500 0.127 0.000 2.808 88 R HA 0.563 4.902 4.340 -0.001 0.000 0.272 88 R C 0.952 177.313 176.300 0.102 0.000 0.995 88 R CA 0.346 56.537 56.100 0.152 0.000 0.917 88 R CB 1.641 32.006 30.300 0.108 0.000 1.217 88 R HN 1.526 nan 8.270 nan 0.000 0.471 89 G N 1.711 110.570 108.800 0.097 0.000 2.728 89 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.269 89 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.269 89 G C -0.386 174.563 174.900 0.081 0.000 1.334 89 G CA 0.115 45.258 45.100 0.071 0.000 0.974 89 G HN 0.562 nan 8.290 nan 0.000 0.550 90 R N 0.896 121.439 120.500 0.071 0.000 2.583 90 R HA 0.359 4.698 4.340 -0.001 0.000 0.274 90 R C 0.246 176.606 176.300 0.100 0.000 0.998 90 R CA 0.308 56.453 56.100 0.073 0.000 1.081 90 R CB -0.185 30.151 30.300 0.060 0.000 0.940 90 R HN 0.404 nan 8.270 nan 0.000 0.413 91 I N 3.171 123.799 120.570 0.097 0.000 2.437 91 I HA 0.114 4.283 4.170 -0.001 0.000 0.298 91 I C -0.033 176.154 176.117 0.117 0.000 0.984 91 I CA -0.639 60.733 61.300 0.120 0.000 1.214 91 I CB 1.715 39.780 38.000 0.108 0.000 1.365 91 I HN 0.576 nan 8.210 nan 0.000 0.469 92 N N 7.232 126.019 118.700 0.145 0.000 2.609 92 N HA 0.318 5.057 4.740 -0.001 0.000 0.234 92 N C -2.035 173.565 175.510 0.149 0.000 1.001 92 N CA -2.023 51.109 53.050 0.137 0.000 0.926 92 N CB 1.163 39.741 38.487 0.151 0.000 1.130 92 N HN 0.184 nan 8.380 nan 0.000 0.510 93 P HA -0.145 nan 4.420 nan 0.000 0.216 93 P C 0.612 177.996 177.300 0.139 0.000 1.150 93 P CA 1.397 64.569 63.100 0.121 0.000 0.837 93 P CB 0.321 32.076 31.700 0.091 0.000 0.786 94 K N -0.905 119.579 120.400 0.138 0.000 2.148 94 K HA -0.031 4.289 4.320 -0.001 0.000 0.204 94 K C 2.306 179.040 176.600 0.224 0.000 1.050 94 K CA 1.389 57.772 56.287 0.160 0.000 0.942 94 K CB -0.882 31.708 32.500 0.149 0.000 0.724 94 K HN 0.170 nan 8.250 nan 0.000 0.446 95 G N 1.503 110.449 108.800 0.243 0.000 2.404 95 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 95 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 95 G C 1.418 176.571 174.900 0.422 0.000 1.174 95 G CA 0.350 45.654 45.100 0.339 0.000 0.780 95 G HN 0.106 nan 8.290 nan 0.000 0.537 96 L N 1.312 122.740 121.223 0.341 0.000 2.046 96 L HA 0.089 4.428 4.340 -0.001 0.000 0.208 96 L C 3.132 180.143 176.870 0.235 0.000 1.077 96 L CA 1.997 57.029 54.840 0.319 0.000 0.747 96 L CB -0.520 41.672 42.059 0.221 0.000 0.896 96 L HN 0.252 nan 8.230 nan 0.000 0.432 97 A N -1.200 121.723 122.820 0.173 0.000 1.933 97 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 97 A C 2.229 179.830 177.584 0.027 0.000 1.175 97 A CA 1.709 53.802 52.037 0.094 0.000 0.628 97 A CB -1.065 17.986 19.000 0.085 0.000 0.814 97 A HN 0.522 nan 8.150 nan 0.000 0.444 98 F N -0.258 119.627 119.950 -0.108 0.000 2.069 98 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 98 F C 2.053 177.620 175.800 -0.388 0.000 1.113 98 F CA 1.780 59.568 58.000 -0.354 0.000 1.214 98 F CB -0.606 38.146 39.000 -0.413 0.000 0.978 98 F HN 0.294 nan 8.300 nan 0.000 0.474 99 Y N 0.325 120.510 120.300 -0.192 0.000 2.293 99 Y HA -0.131 4.419 4.550 -0.001 0.000 0.291 99 Y C 2.341 178.109 175.900 -0.219 0.000 1.137 99 Y CA 1.515 59.453 58.100 -0.270 0.000 1.202 99 Y CB -1.139 37.376 38.460 0.091 0.000 0.990 99 Y HN 0.214 nan 8.280 nan 0.000 0.537 100 D N 0.225 120.631 120.400 0.010 0.000 2.104 100 D HA -0.208 4.431 4.640 -0.001 0.000 0.194 100 D C 2.354 178.590 176.300 -0.107 0.000 0.994 100 D CA 1.463 55.458 54.000 -0.009 0.000 0.830 100 D CB -0.059 40.758 40.800 0.027 0.000 0.959 100 D HN 0.158 nan 8.370 nan 0.000 0.452 101 R N -0.612 119.763 120.500 -0.209 0.000 2.075 101 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 101 R C 2.362 178.463 176.300 -0.331 0.000 1.126 101 R CA 0.969 56.927 56.100 -0.237 0.000 0.963 101 R CB -0.445 29.699 30.300 -0.259 0.000 0.858 101 R HN 0.277 nan 8.270 nan 0.000 0.435 102 L N 0.553 121.415 121.223 -0.602 0.000 2.013 102 L HA -0.180 4.160 4.340 -0.001 0.000 0.212 102 L C 2.074 178.779 176.870 -0.275 0.000 1.073 102 L CA 1.665 56.155 54.840 -0.583 0.000 0.753 102 L CB -0.446 41.100 42.059 -0.856 0.000 0.890 102 L HN 0.021 nan 8.230 nan 0.000 0.432 103 V N -0.105 119.696 119.914 -0.189 0.000 2.295 103 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 103 V C 2.308 178.386 176.094 -0.025 0.000 1.049 103 V CA 2.007 64.277 62.300 -0.050 0.000 1.024 103 V CB -0.845 30.996 31.823 0.030 0.000 0.648 103 V HN 0.486 nan 8.190 nan 0.000 0.447 104 D N -0.202 120.173 120.400 -0.041 0.000 2.123 104 D HA -0.150 4.490 4.640 -0.001 0.000 0.196 104 D C 2.416 178.708 176.300 -0.012 0.000 0.992 104 D CA 1.063 55.052 54.000 -0.018 0.000 0.833 104 D CB -0.266 40.521 40.800 -0.023 0.000 0.954 104 D HN 0.262 nan 8.370 nan 0.000 0.455 105 R N 0.261 120.746 120.500 -0.026 0.000 2.090 105 R HA 0.035 4.374 4.340 -0.001 0.000 0.228 105 R C 2.603 178.904 176.300 0.001 0.000 1.110 105 R CA 0.180 56.279 56.100 -0.001 0.000 0.973 105 R CB -0.950 29.375 30.300 0.040 0.000 0.869 105 R HN 0.314 nan 8.270 nan 0.000 0.440 106 L N 0.262 121.483 121.223 -0.002 0.000 1.994 106 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 106 L C 2.207 179.107 176.870 0.049 0.000 1.071 106 L CA 1.025 55.884 54.840 0.032 0.000 0.745 106 L CB -0.569 41.534 42.059 0.074 0.000 0.892 106 L HN 0.060 nan 8.230 nan 0.000 0.431 107 L N -0.043 121.209 121.223 0.047 0.000 2.079 107 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 107 L C 2.717 179.608 176.870 0.035 0.000 1.081 107 L CA 1.975 56.845 54.840 0.050 0.000 0.752 107 L CB -1.092 40.994 42.059 0.045 0.000 0.896 107 L HN 0.194 nan 8.230 nan 0.000 0.433 108 A N -1.877 120.956 122.820 0.022 0.000 2.070 108 A HA -0.116 4.204 4.320 -0.001 0.000 0.220 108 A C 2.214 179.806 177.584 0.012 0.000 1.159 108 A CA 1.742 53.787 52.037 0.014 0.000 0.656 108 A CB -0.443 18.560 19.000 0.006 0.000 0.800 108 A HN 0.420 nan 8.150 nan 0.000 0.453 109 S N -1.453 114.256 115.700 0.014 0.000 2.577 109 S HA 0.398 4.867 4.470 -0.001 0.000 0.219 109 S C 1.200 175.814 174.600 0.025 0.000 0.962 109 S CA 0.482 58.688 58.200 0.010 0.000 0.921 109 S CB 0.196 63.395 63.200 -0.002 0.000 0.789 109 S HN 1.571 nan 8.310 nan 0.000 0.497 110 G N 1.908 110.731 108.800 0.038 0.000 2.176 110 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.252 110 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.252 110 G C -0.101 174.842 174.900 0.072 0.000 1.024 110 G CA -0.101 45.029 45.100 0.050 0.000 0.755 110 G HN 0.532 nan 8.290 nan 0.000 0.507 111 I N 1.085 121.707 120.570 0.087 0.000 2.378 111 I HA 0.304 4.473 4.170 -0.001 0.000 0.291 111 I C 0.516 176.736 176.117 0.171 0.000 0.992 111 I CA -0.738 60.639 61.300 0.127 0.000 1.154 111 I CB 1.854 39.929 38.000 0.124 0.000 1.315 111 I HN -0.012 nan 8.210 nan 0.000 0.448 112 T N 7.775 122.453 114.554 0.205 0.000 2.779 112 T HA 0.204 4.553 4.350 -0.001 0.000 0.296 112 T C -2.399 172.503 174.700 0.337 0.000 0.938 112 T CA -0.917 61.336 62.100 0.256 0.000 1.119 112 T CB 0.413 69.452 68.868 0.285 0.000 0.891 112 T HN 0.266 nan 8.240 nan 0.000 0.526 113 P HA 0.285 nan 4.420 nan 0.000 0.276 113 P C -0.931 176.556 177.300 0.312 0.000 1.235 113 P CA -0.350 63.001 63.100 0.418 0.000 0.772 113 P CB 0.254 32.170 31.700 0.361 0.000 0.871 114 F N 4.326 124.295 119.950 0.032 0.000 2.552 114 F HA 0.410 4.936 4.527 -0.001 0.000 0.369 114 F C -0.774 174.698 175.800 -0.546 0.000 1.112 114 F CA -0.800 57.049 58.000 -0.252 0.000 1.129 114 F CB 0.576 39.378 39.000 -0.330 0.000 1.360 114 F HN 0.103 nan 8.300 nan 0.000 0.473 115 L N 4.740 125.550 121.223 -0.688 0.000 2.289 115 L HA 0.570 4.909 4.340 -0.001 0.000 0.285 115 L C -0.416 176.133 176.870 -0.536 0.000 1.049 115 L CA -0.070 54.192 54.840 -0.963 0.000 0.804 115 L CB 1.243 42.696 42.059 -1.009 0.000 1.195 115 L HN 0.410 nan 8.230 nan 0.000 0.428 116 T N 6.033 120.340 114.554 -0.411 0.000 2.767 116 T HA 0.307 4.656 4.350 -0.001 0.000 0.284 116 T C 1.217 175.925 174.700 0.013 0.000 0.973 116 T CA -0.431 61.613 62.100 -0.094 0.000 0.996 116 T CB 1.471 70.355 68.868 0.026 0.000 0.927 116 T HN 0.559 nan 8.240 nan 0.000 0.456 117 L N 1.823 123.145 121.223 0.165 0.000 2.095 117 L HA 0.161 4.500 4.340 -0.001 0.000 0.204 117 L C 0.367 177.617 176.870 0.633 0.000 1.080 117 L CA 0.908 55.936 54.840 0.314 0.000 0.759 117 L CB 0.019 42.236 42.059 0.264 0.000 0.914 117 L HN 0.590 nan 8.230 nan 0.000 0.439 118 Y N -0.178 120.397 120.300 0.459 0.000 2.376 118 Y HA 0.307 4.856 4.550 -0.001 0.000 0.326 118 Y C -0.317 175.782 175.900 0.332 0.000 0.970 118 Y CA -1.010 57.377 58.100 0.479 0.000 1.248 118 Y CB 0.241 38.927 38.460 0.376 0.000 1.117 118 Y HN 0.002 nan 8.280 nan 0.000 0.476 119 H N 6.914 125.842 119.070 -0.236 0.000 2.429 119 H HA 0.154 4.710 4.556 -0.001 0.000 0.237 119 H C -0.743 174.351 175.328 -0.390 0.000 1.378 119 H CA 0.005 55.815 56.048 -0.397 0.000 1.170 119 H CB -0.128 29.507 29.762 -0.212 0.000 1.671 119 H HN 0.989 nan 8.280 nan 0.000 0.541 120 W N 0.121 120.877 121.300 -0.907 0.000 1.124 120 W HA -0.193 4.466 4.660 -0.001 0.000 0.238 120 W C 0.170 176.691 176.519 0.003 0.000 0.984 120 W CA 0.607 57.660 57.345 -0.485 0.000 0.381 120 W CB -1.994 27.257 29.460 -0.349 0.000 1.990 120 W HN 0.536 nan 8.180 nan 0.000 1.123 121 D N 1.309 121.844 120.400 0.226 0.000 3.057 121 D HA 0.347 4.987 4.640 -0.001 0.000 0.246 121 D C 0.378 176.899 176.300 0.368 0.000 1.238 121 D CA -0.344 53.873 54.000 0.361 0.000 0.949 121 D CB -0.412 40.582 40.800 0.323 0.000 1.086 121 D HN 0.126 nan 8.370 nan 0.000 0.487 122 L N 1.134 122.637 121.223 0.466 0.000 2.525 122 L HA 0.181 4.520 4.340 -0.001 0.000 0.278 122 L C -2.335 174.434 176.870 -0.168 0.000 1.218 122 L CA -0.997 53.944 54.840 0.170 0.000 0.878 122 L CB 0.172 42.292 42.059 0.101 0.000 1.127 122 L HN -0.044 nan 8.230 nan 0.000 0.492 123 P HA -0.075 nan 4.420 nan 0.000 0.262 123 P C 0.392 177.518 177.300 -0.290 0.000 1.182 123 P CA -0.026 62.830 63.100 -0.407 0.000 0.761 123 P CB 0.549 31.867 31.700 -0.635 0.000 0.795 124 L N 5.132 126.254 121.223 -0.169 0.000 2.127 124 L HA -0.192 4.148 4.340 -0.001 0.000 0.211 124 L C 2.100 178.885 176.870 -0.141 0.000 1.089 124 L CA 2.144 56.906 54.840 -0.129 0.000 0.757 124 L CB -1.332 40.681 42.059 -0.076 0.000 0.899 124 L HN 0.412 nan 8.230 nan 0.000 0.434 125 A N -0.777 121.954 122.820 -0.149 0.000 1.972 125 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 125 A C 2.220 179.709 177.584 -0.158 0.000 1.169 125 A CA 1.905 53.864 52.037 -0.129 0.000 0.635 125 A CB -0.735 18.198 19.000 -0.111 0.000 0.810 125 A HN 0.512 nan 8.150 nan 0.000 0.446 126 L N -1.243 119.836 121.223 -0.240 0.000 2.109 126 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 126 L C 2.561 179.293 176.870 -0.229 0.000 1.086 126 L CA 1.413 56.093 54.840 -0.267 0.000 0.760 126 L CB -0.464 41.339 42.059 -0.427 0.000 0.910 126 L HN 0.400 nan 8.230 nan 0.000 0.437 127 E N 0.657 120.728 120.200 -0.216 0.000 2.118 127 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 127 E C 2.028 178.567 176.600 -0.101 0.000 0.992 127 E CA 1.200 57.512 56.400 -0.147 0.000 0.804 127 E CB 0.013 29.636 29.700 -0.128 0.000 0.741 127 E HN 0.251 nan 8.360 nan 0.000 0.458 128 E N 0.058 120.199 120.200 -0.097 0.000 2.265 128 E HA -0.141 4.208 4.350 -0.001 0.000 0.196 128 E C 1.378 177.941 176.600 -0.063 0.000 0.996 128 E CA 0.794 57.152 56.400 -0.070 0.000 0.832 128 E CB -0.059 29.602 29.700 -0.064 0.000 0.756 128 E HN 0.333 nan 8.360 nan 0.000 0.491 129 R N -0.884 119.569 120.500 -0.078 0.000 2.427 129 R HA 0.197 4.536 4.340 -0.001 0.000 0.262 129 R C 1.038 177.300 176.300 -0.063 0.000 0.943 129 R CA 0.500 56.559 56.100 -0.067 0.000 1.081 129 R CB 0.773 31.027 30.300 -0.076 0.000 1.166 129 R HN 0.163 nan 8.270 nan 0.000 0.534 130 G N -0.002 108.762 108.800 -0.060 0.000 2.211 130 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.201 130 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.201 130 G C 0.655 175.530 174.900 -0.042 0.000 0.997 130 G CA -0.271 44.808 45.100 -0.036 0.000 0.652 130 G HN 0.633 nan 8.290 nan 0.000 0.500 131 G N -0.278 108.452 108.800 -0.117 0.000 2.614 131 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.303 131 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.303 131 G C 0.873 175.658 174.900 -0.192 0.000 1.270 131 G CA 1.051 46.033 45.100 -0.197 0.000 0.988 131 G HN 1.057 nan 8.290 nan 0.000 0.551 132 W N 0.713 122.011 121.300 -0.003 0.000 2.721 132 W HA 0.223 4.882 4.660 -0.001 0.000 0.245 132 W C 2.706 179.259 176.519 0.057 0.000 1.276 132 W CA 0.577 57.911 57.345 -0.018 0.000 1.342 132 W CB -0.030 29.377 29.460 -0.088 0.000 1.135 132 W HN 0.329 nan 8.180 nan 0.000 0.654 133 R N -0.152 120.449 120.500 0.168 0.000 2.276 133 R HA 0.010 4.349 4.340 -0.001 0.000 0.203 133 R C 1.069 177.512 176.300 0.239 0.000 1.017 133 R CA 0.401 56.607 56.100 0.176 0.000 1.010 133 R CB -0.291 30.032 30.300 0.038 0.000 0.900 133 R HN -0.165 nan 8.270 nan 0.000 0.469 134 S N 0.111 115.853 115.700 0.070 0.000 2.457 134 S HA 0.192 4.661 4.470 -0.001 0.000 0.289 134 S C 1.023 175.404 174.600 -0.364 0.000 1.163 134 S CA -0.781 57.375 58.200 -0.073 0.000 1.078 134 S CB 1.161 64.315 63.200 -0.076 0.000 0.987 134 S HN 0.257 nan 8.310 nan 0.000 0.482 135 R N 2.868 123.067 120.500 -0.501 0.000 2.127 135 R HA -0.092 4.248 4.340 -0.001 0.000 0.238 135 R C 1.295 177.543 176.300 -0.088 0.000 1.134 135 R CA 1.546 57.297 56.100 -0.580 0.000 0.975 135 R CB -0.114 30.113 30.300 -0.122 0.000 0.865 135 R HN 0.683 nan 8.270 nan 0.000 0.447 136 E N -0.259 119.927 120.200 -0.024 0.000 2.209 136 E HA -0.147 4.202 4.350 -0.001 0.000 0.196 136 E C 1.772 178.427 176.600 0.091 0.000 0.993 136 E CA 1.564 58.012 56.400 0.080 0.000 0.819 136 E CB -0.172 29.524 29.700 -0.007 0.000 0.745 136 E HN 0.396 nan 8.360 nan 0.000 0.477 137 T N 0.933 115.455 114.554 -0.053 0.000 2.833 137 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 137 T C 1.912 176.612 174.700 0.001 0.000 1.054 137 T CA 1.175 63.194 62.100 -0.136 0.000 1.135 137 T CB -0.108 68.496 68.868 -0.439 0.000 0.869 137 T HN 0.272 nan 8.240 nan 0.000 0.466 138 A N 0.921 123.789 122.820 0.080 0.000 1.902 138 A HA -0.005 4.314 4.320 -0.001 0.000 0.217 138 A C 1.925 179.534 177.584 0.041 0.000 1.181 138 A CA 1.297 53.423 52.037 0.149 0.000 0.623 138 A CB -0.951 18.051 19.000 0.004 0.000 0.818 138 A HN 0.487 nan 8.150 nan 0.000 0.443 139 F N 0.140 120.147 119.950 0.095 0.000 2.146 139 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 139 F C 2.798 178.646 175.800 0.081 0.000 1.096 139 F CA 0.978 59.017 58.000 0.065 0.000 1.275 139 F CB -0.474 38.541 39.000 0.025 0.000 1.008 139 F HN 0.254 nan 8.300 nan 0.000 0.480 140 A N -0.089 122.900 122.820 0.282 0.000 1.908 140 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 140 A C 2.077 179.826 177.584 0.274 0.000 1.181 140 A CA 1.562 53.778 52.037 0.297 0.000 0.627 140 A CB -1.374 17.830 19.000 0.340 0.000 0.818 140 A HN 0.406 nan 8.150 nan 0.000 0.445 141 F N 1.134 121.154 119.950 0.117 0.000 2.095 141 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 141 F C 2.478 178.193 175.800 -0.142 0.000 1.104 141 F CA 1.210 59.105 58.000 -0.175 0.000 1.232 141 F CB -0.585 38.454 39.000 0.064 0.000 0.987 141 F HN 0.240 nan 8.300 nan 0.000 0.475 142 A N 0.017 122.684 122.820 -0.255 0.000 1.933 142 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 142 A C 2.112 179.507 177.584 -0.315 0.000 1.175 142 A CA 1.787 53.607 52.037 -0.361 0.000 0.628 142 A CB -0.861 18.029 19.000 -0.185 0.000 0.814 142 A HN 0.575 nan 8.150 nan 0.000 0.444 143 E N -1.548 118.561 120.200 -0.152 0.000 2.077 143 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 143 E C 1.874 178.384 176.600 -0.150 0.000 0.989 143 E CA 1.475 57.819 56.400 -0.094 0.000 0.800 143 E CB -0.353 29.363 29.700 0.027 0.000 0.746 143 E HN 0.817 nan 8.360 nan 0.000 0.452 144 Y N 1.516 121.592 120.300 -0.374 0.000 2.145 144 Y HA -0.215 4.334 4.550 -0.001 0.000 0.286 144 Y C 2.195 177.799 175.900 -0.493 0.000 1.145 144 Y CA 1.357 59.163 58.100 -0.491 0.000 1.148 144 Y CB -0.677 37.158 38.460 -1.042 0.000 0.981 144 Y HN -0.024 nan 8.280 nan 0.000 0.507 145 A N 0.489 122.715 122.820 -0.989 0.000 1.883 145 A HA -0.287 4.032 4.320 -0.001 0.000 0.217 145 A C 2.298 179.534 177.584 -0.580 0.000 1.186 145 A CA 2.055 53.543 52.037 -0.915 0.000 0.624 145 A CB -1.134 17.329 19.000 -0.894 0.000 0.822 145 A HN 0.688 nan 8.150 nan 0.000 0.444 146 E N -0.245 119.692 120.200 -0.438 0.000 2.058 146 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 146 E C 2.155 178.607 176.600 -0.246 0.000 0.997 146 E CA 1.277 57.494 56.400 -0.305 0.000 0.801 146 E CB -0.300 29.271 29.700 -0.214 0.000 0.746 146 E HN 0.545 nan 8.360 nan 0.000 0.450 147 A N 0.398 123.092 122.820 -0.211 0.000 1.902 147 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 147 A C 2.418 179.933 177.584 -0.115 0.000 1.181 147 A CA 1.622 53.591 52.037 -0.114 0.000 0.623 147 A CB -0.692 18.288 19.000 -0.034 0.000 0.818 147 A HN 0.240 nan 8.150 nan 0.000 0.443 148 V N -0.209 119.576 119.914 -0.215 0.000 2.358 148 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 148 V C 3.043 179.118 176.094 -0.032 0.000 1.047 148 V CA 1.891 64.120 62.300 -0.119 0.000 1.035 148 V CB -1.261 30.417 31.823 -0.241 0.000 0.658 148 V HN 0.616 nan 8.190 nan 0.000 0.452 149 A N 0.044 122.749 122.820 -0.191 0.000 1.902 149 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 149 A C 2.360 179.860 177.584 -0.141 0.000 1.181 149 A CA 1.763 53.622 52.037 -0.296 0.000 0.623 149 A CB -0.514 18.104 19.000 -0.637 0.000 0.818 149 A HN 0.501 nan 8.150 nan 0.000 0.443 150 R N -0.580 119.843 120.500 -0.128 0.000 2.127 150 R HA -0.116 4.224 4.340 -0.001 0.000 0.238 150 R C 2.290 178.580 176.300 -0.017 0.000 1.134 150 R CA 1.242 57.299 56.100 -0.072 0.000 0.975 150 R CB -0.363 29.898 30.300 -0.065 0.000 0.865 150 R HN 0.538 nan 8.270 nan 0.000 0.447 151 A N 0.075 122.902 122.820 0.013 0.000 1.935 151 A HA 0.056 4.375 4.320 -0.001 0.000 0.214 151 A C 1.799 179.431 177.584 0.079 0.000 1.178 151 A CA 0.778 52.846 52.037 0.053 0.000 0.640 151 A CB 0.191 19.238 19.000 0.079 0.000 0.825 151 A HN 0.185 nan 8.150 nan 0.000 0.447 152 L N -2.145 119.150 121.223 0.121 0.000 2.878 152 L HA 0.256 4.596 4.340 -0.001 0.000 0.253 152 L C 2.325 179.334 176.870 0.230 0.000 1.135 152 L CA 0.630 55.573 54.840 0.172 0.000 0.943 152 L CB 0.091 42.273 42.059 0.204 0.000 1.307 152 L HN 0.280 nan 8.230 nan 0.000 0.545 153 A N 1.048 124.006 122.820 0.230 0.000 2.172 153 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 153 A C 1.840 179.490 177.584 0.110 0.000 1.154 153 A CA 1.538 53.710 52.037 0.226 0.000 0.701 153 A CB -0.407 18.560 19.000 -0.055 0.000 0.789 153 A HN 0.566 nan 8.150 nan 0.000 0.465 154 D N -0.381 120.060 120.400 0.069 0.000 2.263 154 D HA -0.169 4.471 4.640 -0.001 0.000 0.208 154 D C 1.666 177.995 176.300 0.048 0.000 0.971 154 D CA 1.243 55.267 54.000 0.041 0.000 0.867 154 D CB -0.261 40.555 40.800 0.028 0.000 0.929 154 D HN 0.531 nan 8.370 nan 0.000 0.492 155 R N -0.683 119.859 120.500 0.070 0.000 2.435 155 R HA 0.268 4.607 4.340 -0.001 0.000 0.221 155 R C -0.080 176.259 176.300 0.065 0.000 0.885 155 R CA -0.108 56.029 56.100 0.061 0.000 1.018 155 R CB 1.478 31.813 30.300 0.058 0.000 1.259 155 R HN -0.045 nan 8.270 nan 0.000 0.597 156 V N 3.500 123.459 119.914 0.075 0.000 2.368 156 V HA 0.158 4.277 4.120 -0.001 0.000 0.266 156 V C -1.840 174.249 176.094 -0.009 0.000 1.045 156 V CA -1.251 61.044 62.300 -0.009 0.000 0.899 156 V CB 1.573 33.265 31.823 -0.219 0.000 1.006 156 V HN 0.013 nan 8.190 nan 0.000 0.470 157 P HA 0.070 nan 4.420 nan 0.000 0.221 157 P C -0.102 176.951 177.300 -0.413 0.000 1.155 157 P CA 0.800 63.747 63.100 -0.254 0.000 0.812 157 P CB 0.239 31.705 31.700 -0.390 0.000 0.801 158 F N -0.770 119.011 119.950 -0.281 0.000 2.449 158 F HA 0.436 4.963 4.527 -0.001 0.000 0.342 158 F C -0.079 175.393 175.800 -0.546 0.000 1.127 158 F CA -0.760 56.949 58.000 -0.486 0.000 0.975 158 F CB 0.905 39.136 39.000 -1.281 0.000 1.146 158 F HN -0.294 nan 8.300 nan 0.000 0.444 159 F N 2.377 122.293 119.950 -0.058 0.000 2.477 159 F HA 0.678 5.205 4.527 -0.001 0.000 0.335 159 F C 0.103 175.924 175.800 0.035 0.000 1.130 159 F CA -0.907 57.046 58.000 -0.079 0.000 0.948 159 F CB 1.611 40.543 39.000 -0.113 0.000 1.154 159 F HN 0.522 nan 8.300 nan 0.000 0.439 160 A N 2.037 124.946 122.820 0.148 0.000 2.292 160 A HA 0.503 4.823 4.320 -0.001 0.000 0.319 160 A C 0.927 178.613 177.584 0.170 0.000 1.206 160 A CA -0.094 52.033 52.037 0.150 0.000 0.835 160 A CB 0.620 19.729 19.000 0.181 0.000 1.164 160 A HN 0.880 nan 8.150 nan 0.000 0.505 161 T N 1.600 116.278 114.554 0.206 0.000 2.639 161 T HA 0.045 4.394 4.350 -0.001 0.000 0.261 161 T C 0.681 175.593 174.700 0.353 0.000 1.053 161 T CA 0.880 63.203 62.100 0.373 0.000 1.158 161 T CB -0.549 68.595 68.868 0.460 0.000 0.863 161 T HN 0.414 nan 8.240 nan 0.000 0.413 162 L N 1.644 122.973 121.223 0.176 0.000 2.346 162 L HA 0.562 4.901 4.340 -0.001 0.000 0.274 162 L C -0.597 176.291 176.870 0.031 0.000 1.007 162 L CA -1.064 53.831 54.840 0.091 0.000 0.818 162 L CB 1.665 43.681 42.059 -0.072 0.000 1.284 162 L HN 0.219 nan 8.230 nan 0.000 0.424 163 N N 1.688 120.379 118.700 -0.015 0.000 2.437 163 N HA 0.151 4.891 4.740 -0.001 0.000 0.259 163 N C -0.817 174.673 175.510 -0.034 0.000 0.983 163 N CA -0.192 52.747 53.050 -0.185 0.000 0.937 163 N CB 0.534 38.600 38.487 -0.702 0.000 1.122 163 N HN 0.567 nan 8.380 nan 0.000 0.499 164 E N 1.987 122.148 120.200 -0.064 0.000 2.240 164 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 164 E C -1.794 174.740 176.600 -0.109 0.000 1.385 164 E CA 0.068 56.454 56.400 -0.023 0.000 0.686 164 E CB -0.566 29.231 29.700 0.162 0.000 1.125 164 E HN 0.675 nan 8.360 nan 0.000 0.359 165 P HA -0.210 nan 4.420 nan 0.000 0.220 165 P C 1.288 178.110 177.300 -0.797 0.000 1.148 165 P CA 1.125 63.832 63.100 -0.656 0.000 0.803 165 P CB -0.079 31.104 31.700 -0.861 0.000 0.782 166 W N 0.741 121.473 121.300 -0.946 0.000 2.338 166 W HA -0.229 4.430 4.660 -0.001 0.000 0.304 166 W C 2.199 178.613 176.519 -0.176 0.000 1.212 166 W CA 1.572 58.726 57.345 -0.318 0.000 1.264 166 W CB -0.825 28.579 29.460 -0.092 0.000 1.142 166 W HN -0.046 nan 8.180 nan 0.000 0.512 167 C N -0.310 119.002 119.300 0.020 0.000 2.436 167 C HA -0.179 4.281 4.460 -0.001 0.000 0.277 167 C C 2.895 177.533 174.990 -0.586 0.000 1.241 167 C CA 1.668 60.524 59.018 -0.270 0.000 1.721 167 C CB -1.398 26.159 27.740 -0.306 0.000 2.043 167 C HN 0.365 nan 8.230 nan 0.000 0.472 168 S N 0.912 116.217 115.700 -0.659 0.000 2.370 168 S HA -0.152 4.318 4.470 -0.001 0.000 0.226 168 S C 2.100 176.496 174.600 -0.341 0.000 1.033 168 S CA 1.557 59.419 58.200 -0.563 0.000 1.011 168 S CB -0.481 62.463 63.200 -0.428 0.000 0.852 168 S HN 0.721 nan 8.310 nan 0.000 0.457 169 A N 0.872 123.426 122.820 -0.442 0.000 1.832 169 A HA 0.099 4.418 4.320 -0.001 0.000 0.214 169 A C 1.838 179.091 177.584 -0.552 0.000 1.204 169 A CA 1.234 52.959 52.037 -0.520 0.000 0.606 169 A CB -0.814 17.720 19.000 -0.778 0.000 0.849 169 A HN 0.452 nan 8.150 nan 0.000 0.445 170 F N -0.112 119.558 119.950 -0.467 0.000 2.219 170 F HA 0.149 4.676 4.527 -0.001 0.000 0.294 170 F C 2.080 177.646 175.800 -0.391 0.000 1.086 170 F CA 0.682 58.417 58.000 -0.441 0.000 1.330 170 F CB -0.433 38.086 39.000 -0.803 0.000 1.047 170 F HN 0.042 nan 8.300 nan 0.000 0.495 171 L N -0.685 120.281 121.223 -0.428 0.000 2.109 171 L HA -0.006 4.333 4.340 -0.001 0.000 0.207 171 L C 2.607 179.246 176.870 -0.385 0.000 1.086 171 L CA 1.285 55.862 54.840 -0.437 0.000 0.760 171 L CB -1.289 40.334 42.059 -0.727 0.000 0.910 171 L HN 0.249 nan 8.230 nan 0.000 0.437 172 G N -1.324 107.231 108.800 -0.408 0.000 2.464 172 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.217 172 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.217 172 G C 0.944 175.448 174.900 -0.659 0.000 1.138 172 G CA 0.427 45.188 45.100 -0.565 0.000 0.793 172 G HN 0.485 nan 8.290 nan 0.000 0.539 173 H N -4.408 114.539 119.070 -0.205 0.000 3.622 173 H HA 0.219 4.775 4.556 -0.001 0.000 0.259 173 H C 1.266 176.605 175.328 0.018 0.000 1.145 173 H CA -0.695 55.279 56.048 -0.124 0.000 1.178 173 H CB 0.443 30.105 29.762 -0.167 0.000 1.542 173 H HN 0.331 nan 8.280 nan 0.000 0.586 174 W N 1.353 122.605 121.300 -0.080 0.000 3.127 174 W HA 0.059 4.719 4.660 -0.001 0.000 0.248 174 W C 2.107 178.588 176.519 -0.063 0.000 1.058 174 W CA 1.811 59.126 57.345 -0.050 0.000 1.783 174 W CB -0.259 29.218 29.460 0.029 0.000 1.030 174 W HN 0.048 nan 8.180 nan 0.000 0.653 175 T N -2.308 112.217 114.554 -0.047 0.000 3.043 175 T HA 0.215 4.564 4.350 -0.001 0.000 0.263 175 T C 1.734 176.368 174.700 -0.111 0.000 1.094 175 T CA 1.274 63.267 62.100 -0.178 0.000 1.127 175 T CB -0.420 68.338 68.868 -0.185 0.000 0.905 175 T HN 0.656 nan 8.240 nan 0.000 0.490 176 G N 1.348 110.087 108.800 -0.102 0.000 2.168 176 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.263 176 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.263 176 G C 0.589 175.471 174.900 -0.031 0.000 0.977 176 G CA 0.563 45.612 45.100 -0.085 0.000 0.659 176 G HN 0.607 nan 8.290 nan 0.000 0.533 177 E N -0.675 119.482 120.200 -0.071 0.000 2.285 177 E HA 0.062 4.411 4.350 -0.001 0.000 0.194 177 E C 1.002 177.717 176.600 0.192 0.000 0.997 177 E CA 0.482 56.916 56.400 0.056 0.000 0.845 177 E CB 0.103 29.775 29.700 -0.046 0.000 0.782 177 E HN 0.824 nan 8.360 nan 0.000 0.491 178 H N -0.977 117.904 119.070 -0.316 0.000 2.616 178 H HA 0.517 5.073 4.556 -0.001 0.000 0.353 178 H C -0.495 173.903 175.328 -1.550 0.000 1.170 178 H CA -1.334 54.328 56.048 -0.644 0.000 1.212 178 H CB 1.524 31.052 29.762 -0.390 0.000 1.653 178 H HN 0.042 nan 8.280 nan 0.000 0.537 179 A N 2.342 123.847 122.820 -2.193 0.000 2.531 179 A HA 0.044 4.363 4.320 -0.001 0.000 0.236 179 A C -1.658 175.316 177.584 -1.016 0.000 1.062 179 A CA -0.888 49.998 52.037 -1.918 0.000 0.760 179 A CB -0.113 17.691 19.000 -1.992 0.000 0.995 179 A HN 0.603 nan 8.150 nan 0.000 0.501 180 P HA 0.139 nan 4.420 nan 0.000 0.257 180 P C 0.763 177.760 177.300 -0.505 0.000 1.281 180 P CA 0.948 63.687 63.100 -0.602 0.000 0.826 180 P CB 0.226 31.719 31.700 -0.345 0.000 1.237 181 G N -0.494 107.921 108.800 -0.642 0.000 2.132 181 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.234 181 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.234 181 G C -0.225 174.597 174.900 -0.131 0.000 0.989 181 G CA -0.418 44.524 45.100 -0.264 0.000 0.676 181 G HN 0.225 nan 8.290 nan 0.000 0.522 182 L N -0.213 120.894 121.223 -0.194 0.000 2.453 182 L HA 0.663 5.002 4.340 -0.001 0.000 0.261 182 L C 1.289 178.154 176.870 -0.008 0.000 1.179 182 L CA 0.164 54.967 54.840 -0.061 0.000 0.813 182 L CB 0.775 42.837 42.059 0.006 0.000 1.110 182 L HN 0.229 nan 8.230 nan 0.000 0.466 183 R N 2.167 122.695 120.500 0.046 0.000 2.644 183 R HA 0.338 4.677 4.340 -0.001 0.000 0.271 183 R C -0.930 175.466 176.300 0.160 0.000 1.687 183 R CA -0.323 55.837 56.100 0.099 0.000 1.655 183 R CB 0.413 30.735 30.300 0.037 0.000 1.285 183 R HN 0.526 nan 8.270 nan 0.000 0.643 184 N N 2.450 121.272 118.700 0.204 0.000 2.578 184 N HA 0.020 4.760 4.740 -0.001 0.000 0.282 184 N C -0.002 175.460 175.510 -0.079 0.000 1.119 184 N CA -0.217 52.884 53.050 0.086 0.000 0.948 184 N CB 1.804 40.302 38.487 0.018 0.000 1.546 184 N HN 0.242 nan 8.380 nan 0.000 0.525 185 L N 4.197 125.239 121.223 -0.303 0.000 2.046 185 L HA -0.003 4.336 4.340 -0.001 0.000 0.208 185 L C 2.179 178.731 176.870 -0.530 0.000 1.077 185 L CA 2.076 56.424 54.840 -0.819 0.000 0.747 185 L CB -0.461 40.940 42.059 -1.095 0.000 0.896 185 L HN 0.768 nan 8.230 nan 0.000 0.432 186 E N -0.625 119.373 120.200 -0.337 0.000 2.085 186 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 186 E C 2.092 178.550 176.600 -0.237 0.000 0.994 186 E CA 1.233 57.476 56.400 -0.261 0.000 0.801 186 E CB -0.189 29.407 29.700 -0.173 0.000 0.743 186 E HN 0.614 nan 8.360 nan 0.000 0.453 187 A N 1.211 123.918 122.820 -0.188 0.000 1.908 187 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 187 A C 2.405 179.803 177.584 -0.309 0.000 1.181 187 A CA 2.008 53.939 52.037 -0.176 0.000 0.627 187 A CB -0.832 18.128 19.000 -0.066 0.000 0.818 187 A HN 0.433 nan 8.150 nan 0.000 0.445 188 A N -0.455 122.171 122.820 -0.323 0.000 1.933 188 A HA -0.002 4.318 4.320 -0.001 0.000 0.218 188 A C 2.150 179.398 177.584 -0.560 0.000 1.175 188 A CA 1.458 53.210 52.037 -0.475 0.000 0.628 188 A CB -0.520 18.222 19.000 -0.430 0.000 0.814 188 A HN 0.481 nan 8.150 nan 0.000 0.444 189 L N -1.294 119.674 121.223 -0.424 0.000 2.109 189 L HA -0.120 4.219 4.340 -0.001 0.000 0.207 189 L C 2.826 179.543 176.870 -0.255 0.000 1.086 189 L CA 0.984 55.647 54.840 -0.295 0.000 0.760 189 L CB -0.471 41.440 42.059 -0.246 0.000 0.910 189 L HN 0.357 nan 8.230 nan 0.000 0.437 190 R N 0.217 120.551 120.500 -0.277 0.000 2.073 190 R HA -0.141 4.198 4.340 -0.001 0.000 0.234 190 R C 2.471 178.581 176.300 -0.317 0.000 1.134 190 R CA 1.413 57.333 56.100 -0.300 0.000 0.952 190 R CB -0.536 29.656 30.300 -0.179 0.000 0.850 190 R HN 0.330 nan 8.270 nan 0.000 0.433 191 A N 1.449 124.088 122.820 -0.302 0.000 1.877 191 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 191 A C 2.423 179.876 177.584 -0.218 0.000 1.186 191 A CA 1.760 53.637 52.037 -0.268 0.000 0.620 191 A CB -0.744 17.846 19.000 -0.683 0.000 0.822 191 A HN 0.409 nan 8.150 nan 0.000 0.443 192 A N -0.958 121.730 122.820 -0.219 0.000 1.883 192 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 192 A C 2.081 179.753 177.584 0.146 0.000 1.186 192 A CA 2.338 54.410 52.037 0.058 0.000 0.624 192 A CB -0.937 18.127 19.000 0.107 0.000 0.822 192 A HN 0.758 nan 8.150 nan 0.000 0.444 193 H N -0.971 118.074 119.070 -0.043 0.000 2.357 193 H HA -0.112 4.443 4.556 -0.001 0.000 0.301 193 H C 1.914 177.271 175.328 0.049 0.000 1.082 193 H CA 2.091 58.141 56.048 0.004 0.000 1.342 193 H CB -0.163 29.512 29.762 -0.145 0.000 1.389 193 H HN 0.591 nan 8.280 nan 0.000 0.511 194 H N -0.397 118.677 119.070 0.006 0.000 2.502 194 H HA 0.003 4.559 4.556 -0.001 0.000 0.283 194 H C 2.450 177.799 175.328 0.035 0.000 1.015 194 H CA 0.840 56.909 56.048 0.036 0.000 1.298 194 H CB -0.134 29.765 29.762 0.229 0.000 1.411 194 H HN 0.345 nan 8.280 nan 0.000 0.556 195 L N 0.094 121.260 121.223 -0.095 0.000 1.989 195 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 195 L C 2.484 179.244 176.870 -0.184 0.000 1.071 195 L CA 1.061 55.599 54.840 -0.502 0.000 0.749 195 L CB -0.503 41.170 42.059 -0.643 0.000 0.890 195 L HN 0.165 nan 8.230 nan 0.000 0.431 196 L N -0.962 120.234 121.223 -0.044 0.000 2.046 196 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 196 L C 2.535 179.404 176.870 -0.003 0.000 1.077 196 L CA 0.803 55.653 54.840 0.017 0.000 0.747 196 L CB -0.444 41.634 42.059 0.031 0.000 0.896 196 L HN 0.259 nan 8.230 nan 0.000 0.432 197 L N 0.122 121.271 121.223 -0.124 0.000 2.046 197 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 197 L C 2.359 179.202 176.870 -0.045 0.000 1.077 197 L CA 2.151 56.923 54.840 -0.113 0.000 0.747 197 L CB -1.115 40.863 42.059 -0.136 0.000 0.896 197 L HN 0.146 nan 8.230 nan 0.000 0.432 198 G N -1.775 107.060 108.800 0.058 0.000 2.440 198 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.218 198 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.218 198 G C 1.524 176.592 174.900 0.279 0.000 1.154 198 G CA 1.107 46.338 45.100 0.218 0.000 0.767 198 G HN 0.659 nan 8.290 nan 0.000 0.552 199 H N 0.711 119.824 119.070 0.072 0.000 2.289 199 H HA -0.048 4.507 4.556 -0.001 0.000 0.296 199 H C 2.669 178.016 175.328 0.031 0.000 1.091 199 H CA 2.514 58.611 56.048 0.082 0.000 1.274 199 H CB -0.729 29.022 29.762 -0.017 0.000 1.364 199 H HN 0.217 nan 8.280 nan 0.000 0.490 200 G N 0.432 109.134 108.800 -0.164 0.000 2.418 200 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 200 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 200 G C 1.840 176.613 174.900 -0.213 0.000 1.158 200 G CA 0.925 45.889 45.100 -0.227 0.000 0.771 200 G HN 0.436 nan 8.290 nan 0.000 0.545 201 L N 0.717 121.838 121.223 -0.169 0.000 2.042 201 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 201 L C 3.386 180.143 176.870 -0.188 0.000 1.076 201 L CA 1.122 55.851 54.840 -0.184 0.000 0.749 201 L CB -0.377 41.518 42.059 -0.272 0.000 0.893 201 L HN 0.305 nan 8.230 nan 0.000 0.432 202 A N -0.524 122.190 122.820 -0.177 0.000 1.969 202 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 202 A C 2.345 179.765 177.584 -0.274 0.000 1.169 202 A CA 1.371 53.263 52.037 -0.242 0.000 0.635 202 A CB -0.691 18.194 19.000 -0.191 0.000 0.810 202 A HN 0.187 nan 8.150 nan 0.000 0.445 203 V N 0.127 119.848 119.914 -0.321 0.000 2.255 203 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 203 V C 2.672 178.621 176.094 -0.242 0.000 1.051 203 V CA 2.512 64.623 62.300 -0.315 0.000 1.018 203 V CB -0.659 30.943 31.823 -0.368 0.000 0.641 203 V HN 0.673 nan 8.190 nan 0.000 0.445 204 E N 0.392 120.470 120.200 -0.203 0.000 2.106 204 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 204 E C 2.134 178.632 176.600 -0.170 0.000 0.984 204 E CA 1.503 57.807 56.400 -0.160 0.000 0.806 204 E CB -0.541 29.088 29.700 -0.118 0.000 0.750 204 E HN 0.505 nan 8.360 nan 0.000 0.458 205 A N 0.428 123.134 122.820 -0.190 0.000 1.902 205 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 205 A C 2.337 179.770 177.584 -0.252 0.000 1.181 205 A CA 1.422 53.337 52.037 -0.202 0.000 0.623 205 A CB -0.716 18.152 19.000 -0.220 0.000 0.818 205 A HN 0.332 nan 8.150 nan 0.000 0.443 206 L N -1.123 119.918 121.223 -0.304 0.000 2.027 206 L HA -0.176 4.164 4.340 -0.001 0.000 0.206 206 L C 2.904 179.577 176.870 -0.329 0.000 1.074 206 L CA 1.418 56.025 54.840 -0.389 0.000 0.745 206 L CB -0.461 41.344 42.059 -0.423 0.000 0.898 206 L HN 0.349 nan 8.230 nan 0.000 0.433 207 R N -0.079 120.271 120.500 -0.249 0.000 2.081 207 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 207 R C 2.342 178.541 176.300 -0.168 0.000 1.131 207 R CA 1.354 57.337 56.100 -0.196 0.000 0.960 207 R CB -0.525 29.681 30.300 -0.156 0.000 0.856 207 R HN 0.345 nan 8.270 nan 0.000 0.436 208 A N 1.065 123.790 122.820 -0.158 0.000 2.015 208 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 208 A C 2.029 179.532 177.584 -0.134 0.000 1.163 208 A CA 1.485 53.446 52.037 -0.126 0.000 0.646 208 A CB -0.197 18.737 19.000 -0.109 0.000 0.806 208 A HN 0.366 nan 8.150 nan 0.000 0.448 209 A N -1.849 120.864 122.820 -0.179 0.000 2.337 209 A HA 0.456 4.775 4.320 -0.001 0.000 0.227 209 A C 1.527 178.995 177.584 -0.194 0.000 1.259 209 A CA 0.975 52.902 52.037 -0.184 0.000 0.870 209 A CB -0.812 18.053 19.000 -0.225 0.000 0.927 209 A HN 1.781 nan 8.150 nan 0.000 0.497 210 G N -1.813 106.876 108.800 -0.185 0.000 2.141 210 G HA2 0.110 4.069 3.960 -0.001 0.000 0.231 210 G HA3 0.110 4.069 3.960 -0.001 0.000 0.231 210 G C 0.380 175.169 174.900 -0.184 0.000 0.984 210 G CA 0.077 45.086 45.100 -0.152 0.000 0.660 210 G HN 1.591 nan 8.290 nan 0.000 0.525 211 A N 0.044 122.680 122.820 -0.307 0.000 2.451 211 A HA 0.674 4.994 4.320 -0.001 0.000 0.266 211 A C 1.335 178.824 177.584 -0.157 0.000 1.119 211 A CA 0.844 52.679 52.037 -0.336 0.000 0.786 211 A CB 0.172 18.770 19.000 -0.670 0.000 1.061 211 A HN 0.491 nan 8.150 nan 0.000 0.503 212 R N 1.057 121.512 120.500 -0.076 0.000 2.093 212 R HA 0.033 4.372 4.340 -0.001 0.000 0.224 212 R C 0.076 176.316 176.300 -0.099 0.000 1.101 212 R CA 0.850 56.893 56.100 -0.095 0.000 0.979 212 R CB 0.063 30.296 30.300 -0.111 0.000 0.877 212 R HN 0.603 nan 8.270 nan 0.000 0.441 213 R N 0.811 121.257 120.500 -0.090 0.000 2.476 213 R HA 0.368 4.707 4.340 -0.001 0.000 0.305 213 R C -1.339 175.067 176.300 0.176 0.000 0.965 213 R CA -0.522 55.577 56.100 -0.002 0.000 0.867 213 R CB 2.246 32.425 30.300 -0.201 0.000 1.176 213 R HN -0.118 nan 8.270 nan 0.000 0.447 214 V N 1.806 121.758 119.914 0.063 0.000 2.495 214 V HA 0.831 4.951 4.120 -0.001 0.000 0.298 214 V C 0.491 176.316 176.094 -0.449 0.000 1.031 214 V CA -0.542 61.711 62.300 -0.077 0.000 0.871 214 V CB 1.919 33.644 31.823 -0.165 0.000 0.988 214 V HN 0.960 nan 8.190 nan 0.000 0.432 215 G N 3.210 111.568 108.800 -0.736 0.000 2.815 215 G HA2 0.814 4.774 3.960 -0.001 0.000 0.305 215 G HA3 0.814 4.774 3.960 -0.001 0.000 0.305 215 G C -1.743 172.874 174.900 -0.473 0.000 1.277 215 G CA -0.496 43.877 45.100 -1.212 0.000 0.795 215 G HN 0.691 nan 8.290 nan 0.000 0.528 216 I N -0.895 119.458 120.570 -0.361 0.000 2.913 216 I HA 0.628 4.797 4.170 -0.001 0.000 0.302 216 I C -1.341 174.783 176.117 0.011 0.000 1.246 216 I CA -1.044 60.189 61.300 -0.112 0.000 1.010 216 I CB 2.419 40.270 38.000 -0.249 0.000 1.259 216 I HN 0.322 nan 8.210 nan 0.000 0.434 217 V N 6.952 126.888 119.914 0.036 0.000 2.384 217 V HA 0.479 4.598 4.120 -0.001 0.000 0.287 217 V C -0.336 175.748 176.094 -0.017 0.000 1.020 217 V CA -0.438 61.906 62.300 0.073 0.000 0.850 217 V CB 1.410 33.269 31.823 0.061 0.000 0.987 217 V HN 0.428 nan 8.190 nan 0.000 0.436 218 L N 5.581 126.805 121.223 0.002 0.000 2.346 218 L HA 0.620 4.959 4.340 -0.001 0.000 0.276 218 L C -0.136 176.570 176.870 -0.274 0.000 1.006 218 L CA -0.767 53.952 54.840 -0.201 0.000 0.817 218 L CB 2.145 44.025 42.059 -0.298 0.000 1.272 218 L HN 0.704 nan 8.230 nan 0.000 0.421 219 N N 1.593 120.087 118.700 -0.342 0.000 2.509 219 N HA 0.509 5.249 4.740 -0.001 0.000 0.287 219 N C -1.340 173.813 175.510 -0.596 0.000 1.121 219 N CA -0.271 52.623 53.050 -0.260 0.000 0.977 219 N CB 1.604 40.029 38.487 -0.104 0.000 1.167 219 N HN 0.242 nan 8.380 nan 0.000 0.476 220 F N -0.890 119.072 119.950 0.021 0.000 2.565 220 F HA 0.627 5.153 4.527 -0.001 0.000 0.313 220 F C -0.181 175.631 175.800 0.021 0.000 1.091 220 F CA -1.052 56.962 58.000 0.022 0.000 0.915 220 F CB 2.249 41.306 39.000 0.095 0.000 1.208 220 F HN 0.706 nan 8.300 nan 0.000 0.453 221 A N 3.718 126.589 122.820 0.085 0.000 2.763 221 A HA 0.673 4.992 4.320 -0.001 0.000 0.325 221 A C -2.883 174.734 177.584 0.055 0.000 1.209 221 A CA -1.742 50.280 52.037 -0.026 0.000 0.764 221 A CB -0.023 18.718 19.000 -0.432 0.000 1.120 221 A HN 0.352 nan 8.150 nan 0.000 0.463 222 P HA 0.217 nan 4.420 nan 0.000 0.264 222 P C -0.001 177.317 177.300 0.030 0.000 1.183 222 P CA 0.554 63.730 63.100 0.127 0.000 0.763 222 P CB 0.865 32.734 31.700 0.281 0.000 0.807 223 A N 3.727 126.431 122.820 -0.194 0.000 2.305 223 A HA 0.690 5.009 4.320 -0.001 0.000 0.322 223 A C -1.191 176.132 177.584 -0.436 0.000 1.187 223 A CA -0.286 51.660 52.037 -0.153 0.000 0.825 223 A CB 0.360 19.324 19.000 -0.061 0.000 1.164 223 A HN 0.484 nan 8.150 nan 0.000 0.498 224 Y N 0.230 120.543 120.300 0.021 0.000 2.581 224 Y HA 0.732 5.281 4.550 -0.001 0.000 0.345 224 Y C 0.641 176.534 175.900 -0.013 0.000 1.036 224 Y CA 0.066 58.165 58.100 -0.002 0.000 1.042 224 Y CB 2.799 41.243 38.460 -0.026 0.000 1.289 224 Y HN 1.232 nan 8.280 nan 0.000 0.471 225 G N 0.387 109.268 108.800 0.136 0.000 2.321 225 G HA2 0.137 4.097 3.960 -0.001 0.000 0.298 225 G HA3 0.137 4.097 3.960 -0.001 0.000 0.298 225 G C -0.554 174.371 174.900 0.041 0.000 1.385 225 G CA -0.817 44.321 45.100 0.065 0.000 0.856 225 G HN 0.556 nan 8.290 nan 0.000 0.584 226 E N -0.824 119.389 120.200 0.023 0.000 2.107 226 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 226 E C 0.184 176.788 176.600 0.007 0.000 0.982 226 E CA 1.015 57.423 56.400 0.015 0.000 0.809 226 E CB 0.229 29.934 29.700 0.009 0.000 0.756 226 E HN 0.404 nan 8.360 nan 0.000 0.459 227 D N 0.059 120.459 120.400 -0.000 0.000 2.317 227 D HA 0.071 4.710 4.640 -0.001 0.000 0.234 227 D C -1.939 174.355 176.300 -0.011 0.000 1.112 227 D CA -2.309 51.687 54.000 -0.007 0.000 0.840 227 D CB 1.474 42.266 40.800 -0.012 0.000 1.078 227 D HN -0.265 nan 8.370 nan 0.000 0.486 228 P HA -0.168 nan 4.420 nan 0.000 0.216 228 P C 0.984 178.272 177.300 -0.019 0.000 1.150 228 P CA 0.878 63.969 63.100 -0.015 0.000 0.837 228 P CB 0.229 31.922 31.700 -0.013 0.000 0.786 229 E N -0.237 119.952 120.200 -0.018 0.000 2.047 229 E HA -0.177 4.172 4.350 -0.001 0.000 0.191 229 E C 1.943 178.527 176.600 -0.027 0.000 0.987 229 E CA 1.224 57.611 56.400 -0.021 0.000 0.799 229 E CB -0.549 29.140 29.700 -0.019 0.000 0.752 229 E HN 0.066 nan 8.360 nan 0.000 0.449 230 A N 0.652 123.454 122.820 -0.030 0.000 1.902 230 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 230 A C 2.427 179.989 177.584 -0.038 0.000 1.181 230 A CA 1.471 53.483 52.037 -0.042 0.000 0.623 230 A CB -0.740 18.231 19.000 -0.049 0.000 0.818 230 A HN 0.236 nan 8.150 nan 0.000 0.443 231 V N 0.406 120.302 119.914 -0.030 0.000 2.332 231 V HA -0.284 3.836 4.120 -0.001 0.000 0.248 231 V C 2.299 178.381 176.094 -0.021 0.000 1.055 231 V CA 2.566 64.848 62.300 -0.031 0.000 1.038 231 V CB -0.815 30.983 31.823 -0.041 0.000 0.651 231 V HN 0.700 nan 8.190 nan 0.000 0.450 232 D N -0.457 119.931 120.400 -0.020 0.000 2.144 232 D HA -0.127 4.512 4.640 -0.001 0.000 0.200 232 D C 2.039 178.342 176.300 0.004 0.000 0.978 232 D CA 1.051 55.045 54.000 -0.010 0.000 0.833 232 D CB 0.014 40.805 40.800 -0.015 0.000 0.961 232 D HN 0.195 nan 8.370 nan 0.000 0.470 233 V N 0.738 120.645 119.914 -0.011 0.000 2.287 233 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 233 V C 2.519 178.634 176.094 0.036 0.000 1.053 233 V CA 1.919 64.204 62.300 -0.025 0.000 1.027 233 V CB -0.924 30.862 31.823 -0.061 0.000 0.646 233 V HN 0.329 nan 8.190 nan 0.000 0.447 234 A N -0.162 122.703 122.820 0.075 0.000 1.902 234 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 234 A C 2.037 179.790 177.584 0.281 0.000 1.181 234 A CA 2.241 54.422 52.037 0.239 0.000 0.623 234 A CB -0.725 18.382 19.000 0.179 0.000 0.818 234 A HN 0.619 nan 8.150 nan 0.000 0.443 235 D N -0.859 119.625 120.400 0.140 0.000 2.117 235 D HA -0.133 4.507 4.640 -0.001 0.000 0.197 235 D C 2.196 178.591 176.300 0.158 0.000 0.987 235 D CA 1.297 55.372 54.000 0.124 0.000 0.829 235 D CB -0.095 40.731 40.800 0.045 0.000 0.961 235 D HN 0.420 nan 8.370 nan 0.000 0.460 236 R N -1.162 119.418 120.500 0.133 0.000 2.092 236 R HA -0.150 4.189 4.340 -0.001 0.000 0.231 236 R C 2.145 178.606 176.300 0.267 0.000 1.119 236 R CA 1.144 57.338 56.100 0.157 0.000 0.970 236 R CB -0.453 29.900 30.300 0.088 0.000 0.864 236 R HN 0.338 nan 8.270 nan 0.000 0.440 237 Y N 0.832 121.150 120.300 0.029 0.000 2.133 237 Y HA -0.193 4.356 4.550 -0.001 0.000 0.287 237 Y C 2.267 178.196 175.900 0.049 0.000 1.134 237 Y CA 1.463 59.516 58.100 -0.078 0.000 1.133 237 Y CB -0.359 37.941 38.460 -0.266 0.000 0.987 237 Y HN 0.092 nan 8.280 nan 0.000 0.502 238 H N -0.779 118.267 119.070 -0.039 0.000 2.372 238 H HA 0.000 4.556 4.556 -0.001 0.000 0.301 238 H C 1.256 176.468 175.328 -0.193 0.000 1.065 238 H CA 1.528 57.324 56.048 -0.421 0.000 1.364 238 H CB 0.173 29.739 29.762 -0.328 0.000 1.406 238 H HN 0.399 nan 8.280 nan 0.000 0.521 239 N N 0.097 118.910 118.700 0.188 0.000 2.564 239 N HA 0.040 4.780 4.740 -0.001 0.000 0.202 239 N C 1.779 177.480 175.510 0.319 0.000 1.052 239 N CA 0.172 53.398 53.050 0.293 0.000 0.872 239 N CB 0.374 39.066 38.487 0.342 0.000 1.303 239 N HN 0.195 nan 8.380 nan 0.000 0.440 240 R N -0.416 120.236 120.500 0.253 0.000 2.280 240 R HA 0.217 4.556 4.340 -0.001 0.000 0.195 240 R C 1.444 177.851 176.300 0.177 0.000 0.935 240 R CA -0.093 56.124 56.100 0.194 0.000 1.033 240 R CB -0.086 30.288 30.300 0.122 0.000 0.964 240 R HN 0.046 nan 8.270 nan 0.000 0.489 241 F N 0.315 120.336 119.950 0.119 0.000 2.126 241 F HA -0.206 4.320 4.527 -0.001 0.000 0.299 241 F C 1.265 176.944 175.800 -0.202 0.000 1.096 241 F CA 1.754 59.767 58.000 0.022 0.000 1.255 241 F CB 0.075 39.119 39.000 0.073 0.000 0.997 241 F HN -0.110 nan 8.300 nan 0.000 0.479 242 F N -1.958 118.152 119.950 0.267 0.000 2.505 242 F HA 0.066 4.593 4.527 -0.001 0.000 0.289 242 F C 1.837 177.642 175.800 0.009 0.000 1.101 242 F CA 0.153 58.214 58.000 0.102 0.000 1.446 242 F CB -0.651 38.417 39.000 0.113 0.000 1.123 242 F HN -0.109 nan 8.300 nan 0.000 0.564 243 L N 0.511 121.864 121.223 0.216 0.000 2.056 243 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 243 L C 1.698 178.607 176.870 0.065 0.000 1.078 243 L CA 1.966 56.915 54.840 0.182 0.000 0.749 243 L CB -0.815 41.419 42.059 0.290 0.000 0.901 243 L HN -0.079 nan 8.230 nan 0.000 0.433 244 D N -0.389 120.012 120.400 0.002 0.000 2.117 244 D HA -0.126 4.513 4.640 -0.001 0.000 0.197 244 D C -0.486 175.738 176.300 -0.125 0.000 0.987 244 D CA 1.704 55.666 54.000 -0.063 0.000 0.829 244 D CB -1.503 39.249 40.800 -0.080 0.000 0.961 244 D HN 0.292 nan 8.370 nan 0.000 0.460 245 P HA -0.078 nan 4.420 nan 0.000 0.215 245 P C 1.533 178.778 177.300 -0.092 0.000 1.153 245 P CA 0.747 63.675 63.100 -0.286 0.000 0.853 245 P CB 0.076 31.446 31.700 -0.550 0.000 0.788 246 I N -1.350 119.213 120.570 -0.011 0.000 2.454 246 I HA -0.158 4.012 4.170 -0.001 0.000 0.254 246 I C 1.917 178.152 176.117 0.197 0.000 1.156 246 I CA 1.462 62.832 61.300 0.118 0.000 1.433 246 I CB -0.966 37.114 38.000 0.134 0.000 1.082 246 I HN 0.021 nan 8.210 nan 0.000 0.432 247 L N 0.334 121.606 121.223 0.081 0.000 2.599 247 L HA 0.136 4.475 4.340 -0.001 0.000 0.230 247 L C 1.424 178.297 176.870 0.004 0.000 1.141 247 L CA 0.489 55.334 54.840 0.008 0.000 0.877 247 L CB -0.413 41.599 42.059 -0.080 0.000 1.009 247 L HN 0.458 nan 8.230 nan 0.000 0.447 248 G N 0.670 109.477 108.800 0.012 0.000 2.137 248 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.237 248 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.237 248 G C 0.696 175.577 174.900 -0.030 0.000 1.002 248 G CA 0.233 45.332 45.100 -0.002 0.000 0.702 248 G HN 0.442 nan 8.290 nan 0.000 0.515 249 K N 0.188 120.555 120.400 -0.054 0.000 2.373 249 K HA 0.461 4.781 4.320 -0.001 0.000 0.202 249 K C 1.483 178.039 176.600 -0.074 0.000 1.025 249 K CA 0.241 56.494 56.287 -0.057 0.000 1.115 249 K CB 0.673 33.140 32.500 -0.055 0.000 0.858 249 K HN 1.423 nan 8.250 nan 0.000 0.525 250 G N 1.229 109.964 108.800 -0.109 0.000 2.877 250 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.279 250 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.279 250 G C -0.706 174.047 174.900 -0.244 0.000 1.431 250 G CA -0.750 44.265 45.100 -0.143 0.000 0.883 250 G HN 0.162 nan 8.290 nan 0.000 0.547 251 Y N 1.831 122.025 120.300 -0.176 0.000 2.578 251 Y HA 0.349 4.898 4.550 -0.001 0.000 0.339 251 Y C -0.450 175.322 175.900 -0.214 0.000 1.231 251 Y CA -0.065 57.852 58.100 -0.305 0.000 1.461 251 Y CB 0.226 38.467 38.460 -0.365 0.000 1.323 251 Y HN 0.528 nan 8.280 nan 0.000 0.590 252 P HA -0.034 nan 4.420 nan 0.000 0.272 252 P C -0.533 176.771 177.300 0.007 0.000 1.240 252 P CA -0.507 62.587 63.100 -0.011 0.000 0.791 252 P CB 0.543 32.252 31.700 0.016 0.000 0.978 253 E N 0.809 121.013 120.200 0.005 0.000 2.708 253 E HA -0.048 4.302 4.350 -0.001 0.000 0.260 253 E C -0.027 176.575 176.600 0.003 0.000 0.937 253 E CA 0.071 56.471 56.400 0.001 0.000 0.953 253 E CB 0.249 29.945 29.700 -0.006 0.000 0.915 253 E HN 0.335 nan 8.360 nan 0.000 0.487 254 S N 4.746 120.448 115.700 0.005 0.000 2.552 254 S HA 0.049 4.519 4.470 -0.001 0.000 0.289 254 S C -1.425 173.103 174.600 -0.121 0.000 1.304 254 S CA -1.054 57.150 58.200 0.006 0.000 1.063 254 S CB 0.801 64.037 63.200 0.060 0.000 0.848 254 S HN 0.508 nan 8.310 nan 0.000 0.499 255 P HA 0.152 nan 4.420 nan 0.000 0.249 255 P C -0.469 176.494 177.300 -0.561 0.000 1.229 255 P CA 0.244 63.050 63.100 -0.490 0.000 0.788 255 P CB -0.032 31.288 31.700 -0.633 0.000 1.072 256 F N 0.650 120.556 119.950 -0.073 0.000 2.425 256 F HA 0.420 4.946 4.527 -0.001 0.000 0.331 256 F C 1.307 177.069 175.800 -0.064 0.000 1.085 256 F CA -1.252 56.685 58.000 -0.105 0.000 1.028 256 F CB 0.799 39.695 39.000 -0.174 0.000 1.177 256 F HN -0.437 nan 8.300 nan 0.000 0.487 257 R N 1.022 121.608 120.500 0.143 0.000 2.347 257 R HA 0.151 4.490 4.340 -0.001 0.000 0.304 257 R C -0.565 175.770 176.300 0.058 0.000 1.072 257 R CA -0.272 55.871 56.100 0.073 0.000 0.980 257 R CB 0.022 30.354 30.300 0.055 0.000 0.986 257 R HN 0.696 nan 8.270 nan 0.000 0.448 258 D N 1.812 122.232 120.400 0.032 0.000 2.737 258 D HA -0.092 4.547 4.640 -0.001 0.000 0.238 258 D C -2.006 174.286 176.300 -0.014 0.000 1.157 258 D CA 0.044 54.047 54.000 0.006 0.000 0.694 258 D CB -0.119 40.681 40.800 -0.001 0.000 1.021 258 D HN 0.383 nan 8.370 nan 0.000 0.420 259 P HA 0.270 nan 4.420 nan 0.000 0.272 259 P C -2.210 175.033 177.300 -0.096 0.000 1.223 259 P CA -0.912 62.154 63.100 -0.057 0.000 0.784 259 P CB 0.177 31.896 31.700 0.031 0.000 0.923 260 P HA 0.329 nan 4.420 nan 0.000 0.275 260 P C -2.555 174.667 177.300 -0.129 0.000 1.266 260 P CA -1.613 61.404 63.100 -0.138 0.000 0.793 260 P CB -1.164 30.430 31.700 -0.176 0.000 1.074 261 P HA 0.138 nan 4.420 nan 0.000 0.268 261 P C -0.781 176.434 177.300 -0.142 0.000 1.205 261 P CA 0.105 63.139 63.100 -0.109 0.000 0.771 261 P CB 0.301 31.951 31.700 -0.083 0.000 0.858 262 V N 4.957 124.771 119.914 -0.166 0.000 2.495 262 V HA 0.342 4.461 4.120 -0.001 0.000 0.298 262 V C -1.811 174.147 176.094 -0.225 0.000 1.031 262 V CA -1.473 60.691 62.300 -0.226 0.000 0.871 262 V CB 1.768 33.403 31.823 -0.314 0.000 0.988 262 V HN 0.574 nan 8.190 nan 0.000 0.432 263 P HA 0.339 nan 4.420 nan 0.000 0.212 263 P C -0.318 176.874 177.300 -0.180 0.000 1.816 263 P CA -0.036 63.000 63.100 -0.107 0.000 0.944 263 P CB -0.125 31.590 31.700 0.025 0.000 1.896 264 I N 1.748 122.115 120.570 -0.339 0.000 2.379 264 I HA 0.173 4.342 4.170 -0.001 0.000 0.290 264 I C 0.901 176.987 176.117 -0.051 0.000 1.063 264 I CA -0.456 60.633 61.300 -0.352 0.000 1.351 264 I CB 0.590 38.396 38.000 -0.323 0.000 1.410 264 I HN -0.044 nan 8.210 nan 0.000 0.505 265 L N 4.343 125.615 121.223 0.082 0.000 2.358 265 L HA 0.359 4.698 4.340 -0.001 0.000 0.268 265 L C 0.803 177.728 176.870 0.091 0.000 1.032 265 L CA -0.738 54.158 54.840 0.092 0.000 0.805 265 L CB 1.471 43.609 42.059 0.132 0.000 1.253 265 L HN 0.551 nan 8.230 nan 0.000 0.452 266 S N 0.711 116.452 115.700 0.069 0.000 2.593 266 S HA -0.018 4.451 4.470 -0.001 0.000 0.300 266 S C 0.974 175.619 174.600 0.076 0.000 1.267 266 S CA 0.284 58.520 58.200 0.060 0.000 1.065 266 S CB -0.176 63.051 63.200 0.046 0.000 0.807 266 S HN 0.734 nan 8.310 nan 0.000 0.499 267 R N 1.821 122.361 120.500 0.067 0.000 3.922 267 R HA -0.173 4.167 4.340 -0.001 0.000 0.447 267 R C 0.280 176.630 176.300 0.084 0.000 1.035 267 R CA 1.285 57.424 56.100 0.066 0.000 1.289 267 R CB -2.187 28.147 30.300 0.057 0.000 1.906 267 R HN 0.633 nan 8.270 nan 0.000 0.540 268 D N 0.936 121.410 120.400 0.123 0.000 2.123 268 D HA -0.099 4.541 4.640 -0.001 0.000 0.196 268 D C 1.935 178.307 176.300 0.121 0.000 0.992 268 D CA 1.295 55.390 54.000 0.158 0.000 0.833 268 D CB -0.133 40.855 40.800 0.314 0.000 0.954 268 D HN 0.350 nan 8.370 nan 0.000 0.455 269 L N 0.572 121.862 121.223 0.112 0.000 2.201 269 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 269 L C 2.391 179.282 176.870 0.034 0.000 1.105 269 L CA 0.838 55.714 54.840 0.059 0.000 0.775 269 L CB -0.326 41.752 42.059 0.031 0.000 0.913 269 L HN 0.075 nan 8.230 nan 0.000 0.440 270 E N 0.903 121.127 120.200 0.039 0.000 2.077 270 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 270 E C 2.327 178.942 176.600 0.025 0.000 0.989 270 E CA 1.120 57.539 56.400 0.031 0.000 0.800 270 E CB -0.011 29.707 29.700 0.030 0.000 0.746 270 E HN 0.474 nan 8.360 nan 0.000 0.452 271 L N 0.347 121.584 121.223 0.024 0.000 2.017 271 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 271 L C 2.598 179.469 176.870 0.002 0.000 1.073 271 L CA 0.832 55.671 54.840 -0.001 0.000 0.745 271 L CB -0.445 41.608 42.059 -0.011 0.000 0.894 271 L HN 0.098 nan 8.230 nan 0.000 0.432 272 V N 0.206 120.139 119.914 0.031 0.000 2.469 272 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 272 V C 2.254 178.417 176.094 0.116 0.000 1.064 272 V CA 1.763 64.110 62.300 0.079 0.000 1.066 272 V CB -0.810 31.029 31.823 0.026 0.000 0.667 272 V HN 0.497 nan 8.190 nan 0.000 0.461 273 A N -0.593 122.272 122.820 0.075 0.000 2.370 273 A HA 0.176 4.495 4.320 -0.001 0.000 0.238 273 A C 1.002 178.653 177.584 0.111 0.000 1.289 273 A CA -0.280 51.822 52.037 0.107 0.000 0.885 273 A CB -0.402 18.640 19.000 0.071 0.000 0.961 273 A HN 0.478 nan 8.150 nan 0.000 0.499 274 R N 1.165 121.697 120.500 0.054 0.000 2.585 274 R HA 0.179 4.519 4.340 -0.001 0.000 0.275 274 R C -2.468 173.834 176.300 0.004 0.000 1.018 274 R CA -1.123 54.980 56.100 0.005 0.000 1.072 274 R CB -0.017 30.238 30.300 -0.074 0.000 0.953 274 R HN 0.178 nan 8.270 nan 0.000 0.419 275 P HA 0.013 nan 4.420 nan 0.000 0.268 275 P C -0.549 176.536 177.300 -0.360 0.000 1.205 275 P CA 0.298 63.392 63.100 -0.011 0.000 0.771 275 P CB 0.581 32.339 31.700 0.097 0.000 0.858 276 L N 2.055 122.684 121.223 -0.990 0.000 2.304 276 L HA 0.385 4.725 4.340 -0.001 0.000 0.268 276 L C 1.147 177.383 176.870 -1.055 0.000 1.010 276 L CA -0.614 53.558 54.840 -1.114 0.000 0.813 276 L CB 1.177 42.392 42.059 -1.405 0.000 1.315 276 L HN 0.287 nan 8.230 nan 0.000 0.445 277 D N 0.181 120.261 120.400 -0.534 0.000 2.346 277 D HA 0.127 4.767 4.640 -0.001 0.000 0.206 277 D C -0.382 176.045 176.300 0.212 0.000 1.001 277 D CA 0.952 54.886 54.000 -0.110 0.000 0.871 277 D CB 0.754 41.618 40.800 0.106 0.000 0.943 277 D HN 0.303 nan 8.370 nan 0.000 0.518 278 F N -0.710 119.258 119.950 0.031 0.000 2.719 278 F HA 0.502 5.028 4.527 -0.001 0.000 0.309 278 F C -2.133 173.852 175.800 0.309 0.000 1.138 278 F CA -1.600 56.592 58.000 0.320 0.000 0.943 278 F CB 1.076 40.387 39.000 0.519 0.000 1.304 278 F HN -0.317 nan 8.300 nan 0.000 0.445 279 L N 2.456 124.032 121.223 0.589 0.000 2.333 279 L HA 0.893 5.233 4.340 -0.001 0.000 0.280 279 L C -0.171 177.061 176.870 0.604 0.000 1.004 279 L CA -0.349 54.772 54.840 0.468 0.000 0.820 279 L CB 1.568 43.902 42.059 0.457 0.000 1.247 279 L HN 0.996 nan 8.230 nan 0.000 0.416 280 G N 4.521 113.648 108.800 0.544 0.000 2.353 280 G HA2 0.527 4.486 3.960 -0.001 0.000 0.284 280 G HA3 0.527 4.486 3.960 -0.001 0.000 0.284 280 G C -1.114 173.995 174.900 0.348 0.000 1.172 280 G CA -0.366 45.005 45.100 0.452 0.000 0.854 280 G HN 0.507 nan 8.290 nan 0.000 0.485 281 V N 3.645 123.750 119.914 0.318 0.000 2.357 281 V HA 0.294 4.414 4.120 -0.001 0.000 0.284 281 V C -0.684 175.567 176.094 0.261 0.000 1.018 281 V CA -1.174 61.342 62.300 0.360 0.000 0.841 281 V CB 1.310 33.289 31.823 0.260 0.000 0.991 281 V HN 0.647 nan 8.190 nan 0.000 0.437 282 N N 3.744 122.599 118.700 0.258 0.000 2.408 282 N HA 0.555 5.295 4.740 -0.001 0.000 0.280 282 N C -1.227 174.404 175.510 0.203 0.000 1.002 282 N CA -0.375 52.749 53.050 0.125 0.000 0.907 282 N CB 1.765 40.286 38.487 0.056 0.000 1.161 282 N HN 0.747 nan 8.380 nan 0.000 0.488 283 Y N 1.848 122.086 120.300 -0.103 0.000 2.433 283 Y HA 0.354 4.904 4.550 -0.001 0.000 0.337 283 Y C -0.958 174.776 175.900 -0.277 0.000 1.026 283 Y CA -0.591 57.490 58.100 -0.031 0.000 1.037 283 Y CB 0.813 39.333 38.460 0.100 0.000 1.245 283 Y HN 0.561 nan 8.280 nan 0.000 0.443 284 Y N 2.917 122.846 120.300 -0.618 0.000 2.701 284 Y HA 0.768 5.317 4.550 -0.001 0.000 0.275 284 Y C 0.504 176.029 175.900 -0.625 0.000 1.133 284 Y CA 0.315 58.164 58.100 -0.417 0.000 1.241 284 Y CB 1.036 39.378 38.460 -0.197 0.000 1.389 284 Y HN 0.663 nan 8.280 nan 0.000 0.486 285 A N 0.276 122.680 122.820 -0.694 0.000 2.599 285 A HA 0.591 4.910 4.320 -0.001 0.000 0.294 285 A C -3.018 174.563 177.584 -0.006 0.000 1.055 285 A CA -1.310 50.612 52.037 -0.192 0.000 0.683 285 A CB 0.815 19.812 19.000 -0.005 0.000 1.278 285 A HN -0.153 nan 8.150 nan 0.000 0.412 286 P HA 0.550 nan 4.420 nan 0.000 0.279 286 P C -0.433 176.953 177.300 0.143 0.000 1.276 286 P CA -0.261 63.045 63.100 0.344 0.000 0.801 286 P CB 1.131 33.146 31.700 0.525 0.000 1.127 287 V N -2.219 117.772 119.914 0.129 0.000 2.628 287 V HA 0.659 4.778 4.120 -0.001 0.000 0.306 287 V C -0.191 176.015 176.094 0.187 0.000 1.045 287 V CA -0.983 61.391 62.300 0.123 0.000 0.905 287 V CB 1.742 33.603 31.823 0.065 0.000 0.997 287 V HN 0.365 nan 8.190 nan 0.000 0.436 288 R N 2.658 123.267 120.500 0.181 0.000 2.437 288 R HA 0.825 5.164 4.340 -0.001 0.000 0.310 288 R C -0.913 175.436 176.300 0.080 0.000 0.955 288 R CA -0.589 55.590 56.100 0.133 0.000 0.851 288 R CB 2.157 32.516 30.300 0.099 0.000 1.161 288 R HN 0.955 nan 8.270 nan 0.000 0.446 289 V N -0.981 118.940 119.914 0.012 0.000 2.962 289 V HA 0.987 5.106 4.120 -0.001 0.000 0.313 289 V C -0.687 175.371 176.094 -0.059 0.000 1.099 289 V CA -0.963 61.280 62.300 -0.096 0.000 0.971 289 V CB 1.968 33.673 31.823 -0.198 0.000 1.028 289 V HN 0.850 nan 8.190 nan 0.000 0.430 290 A N 2.963 125.735 122.820 -0.081 0.000 2.430 290 A HA 1.050 5.370 4.320 -0.001 0.000 0.300 290 A C -3.039 174.506 177.584 -0.065 0.000 1.124 290 A CA -2.216 49.792 52.037 -0.049 0.000 0.766 290 A CB 1.610 20.595 19.000 -0.025 0.000 1.328 290 A HN 0.757 nan 8.150 nan 0.000 0.424 291 P HA 0.374 nan 4.420 nan 0.000 0.266 291 P C 0.175 177.454 177.300 -0.035 0.000 1.195 291 P CA 0.550 63.626 63.100 -0.040 0.000 0.768 291 P CB 0.871 32.557 31.700 -0.024 0.000 0.838 292 G N -0.037 108.742 108.800 -0.034 0.000 2.725 292 G HA2 0.489 4.448 3.960 -0.001 0.000 0.288 292 G HA3 0.489 4.448 3.960 -0.001 0.000 0.288 292 G C 0.234 175.130 174.900 -0.007 0.000 1.399 292 G CA -0.450 44.638 45.100 -0.019 0.000 0.859 292 G HN 0.396 nan 8.290 nan 0.000 0.479 293 T N -2.355 112.202 114.554 0.004 0.000 3.069 293 T HA 0.374 4.723 4.350 -0.001 0.000 0.252 293 T C 1.235 175.949 174.700 0.023 0.000 1.053 293 T CA 0.689 62.796 62.100 0.011 0.000 0.964 293 T CB 0.273 69.147 68.868 0.011 0.000 1.005 293 T HN 0.838 nan 8.240 nan 0.000 0.532 294 G N 0.831 109.649 108.800 0.030 0.000 2.653 294 G HA2 0.346 4.305 3.960 -0.001 0.000 0.265 294 G HA3 0.346 4.305 3.960 -0.001 0.000 0.265 294 G C 0.930 175.882 174.900 0.086 0.000 1.237 294 G CA -0.069 45.063 45.100 0.054 0.000 0.946 294 G HN 0.149 nan 8.290 nan 0.000 0.522 295 T N -0.410 114.226 114.554 0.137 0.000 2.699 295 T HA -0.191 4.159 4.350 -0.001 0.000 0.268 295 T C 1.075 175.929 174.700 0.257 0.000 1.036 295 T CA 1.086 63.298 62.100 0.187 0.000 1.147 295 T CB -0.236 68.780 68.868 0.246 0.000 0.862 295 T HN 0.175 nan 8.240 nan 0.000 0.446 296 L N 4.040 125.441 121.223 0.296 0.000 2.259 296 L HA 0.330 4.669 4.340 -0.001 0.000 0.288 296 L C -2.223 174.673 176.870 0.043 0.000 1.051 296 L CA -2.232 52.705 54.840 0.161 0.000 0.824 296 L CB 1.073 43.217 42.059 0.142 0.000 1.206 296 L HN -0.159 nan 8.230 nan 0.000 0.429 297 P HA 0.099 nan 4.420 nan 0.000 0.220 297 P C -0.907 176.363 177.300 -0.051 0.000 1.778 297 P CA 0.114 63.205 63.100 -0.015 0.000 0.912 297 P CB -0.105 31.586 31.700 -0.014 0.000 1.861 298 V N -2.040 117.827 119.914 -0.078 0.000 3.007 298 V HA 0.669 4.789 4.120 -0.001 0.000 0.311 298 V C -0.662 175.330 176.094 -0.170 0.000 1.120 298 V CA -1.571 60.635 62.300 -0.156 0.000 0.980 298 V CB 2.983 34.650 31.823 -0.260 0.000 1.033 298 V HN 0.065 nan 8.190 nan 0.000 0.429 299 R N 1.920 122.312 120.500 -0.181 0.000 2.494 299 R HA 0.593 4.932 4.340 -0.001 0.000 0.305 299 R C -1.738 174.457 176.300 -0.175 0.000 0.959 299 R CA -0.603 55.441 56.100 -0.093 0.000 0.864 299 R CB 1.523 31.810 30.300 -0.020 0.000 1.159 299 R HN 0.844 nan 8.270 nan 0.000 0.446 300 Y N 3.955 124.293 120.300 0.063 0.000 2.304 300 Y HA 0.297 4.846 4.550 -0.001 0.000 0.328 300 Y C 0.122 176.058 175.900 0.059 0.000 1.123 300 Y CA -0.359 57.784 58.100 0.072 0.000 1.218 300 Y CB 1.158 39.672 38.460 0.090 0.000 1.207 300 Y HN 0.303 nan 8.280 nan 0.000 0.495 301 L N 5.678 127.012 121.223 0.185 0.000 2.331 301 L HA 0.517 4.856 4.340 -0.001 0.000 0.275 301 L C -2.036 174.912 176.870 0.130 0.000 1.022 301 L CA -2.248 52.665 54.840 0.121 0.000 0.812 301 L CB 1.165 43.270 42.059 0.076 0.000 1.257 301 L HN 0.458 nan 8.230 nan 0.000 0.435 302 P HA 0.202 nan 4.420 nan 0.000 0.270 302 P C -2.578 174.774 177.300 0.086 0.000 1.223 302 P CA -1.128 62.030 63.100 0.098 0.000 0.785 302 P CB -0.514 31.233 31.700 0.079 0.000 0.923 303 P HA 0.026 nan 4.420 nan 0.000 0.265 303 P C -0.324 177.006 177.300 0.050 0.000 1.187 303 P CA 0.505 63.653 63.100 0.079 0.000 0.766 303 P CB 0.144 31.906 31.700 0.104 0.000 0.820 304 E N 2.369 122.581 120.200 0.020 0.000 1.865 304 E HA 0.373 4.722 4.350 -0.001 0.000 0.269 304 E C 1.000 177.613 176.600 0.021 0.000 1.177 304 E CA -0.074 56.328 56.400 0.002 0.000 0.932 304 E CB -0.361 29.311 29.700 -0.047 0.000 1.066 304 E HN 0.703 nan 8.360 nan 0.000 0.405 305 G N 4.373 113.199 108.800 0.043 0.000 2.466 305 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 305 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 305 G C -2.284 172.668 174.900 0.087 0.000 1.237 305 G CA -1.231 43.904 45.100 0.059 0.000 0.954 305 G HN 0.452 nan 8.290 nan 0.000 0.580 306 P HA 0.496 nan 4.420 nan 0.000 0.264 306 P C 0.014 177.419 177.300 0.176 0.000 1.183 306 P CA 1.144 64.329 63.100 0.142 0.000 0.763 306 P CB 0.940 32.734 31.700 0.157 0.000 0.807 307 A N 1.834 124.754 122.820 0.166 0.000 2.527 307 A HA 0.731 5.050 4.320 -0.001 0.000 0.293 307 A C 0.198 177.825 177.584 0.071 0.000 1.117 307 A CA -0.368 51.758 52.037 0.148 0.000 0.723 307 A CB 0.999 20.065 19.000 0.110 0.000 1.313 307 A HN 0.530 nan 8.150 nan 0.000 0.411 308 T N -1.738 112.757 114.554 -0.098 0.000 2.793 308 T HA 0.515 4.864 4.350 -0.001 0.000 0.299 308 T C 1.370 175.783 174.700 -0.480 0.000 1.038 308 T CA 0.355 62.120 62.100 -0.559 0.000 0.948 308 T CB 0.554 68.953 68.868 -0.781 0.000 1.231 308 T HN 1.651 nan 8.240 nan 0.000 0.538 309 A N 0.052 122.483 122.820 -0.649 0.000 2.121 309 A HA 0.058 4.377 4.320 -0.001 0.000 0.218 309 A C 2.205 179.467 177.584 -0.537 0.000 1.154 309 A CA 0.865 52.631 52.037 -0.452 0.000 0.679 309 A CB -0.879 17.876 19.000 -0.407 0.000 0.795 309 A HN 0.739 nan 8.150 nan 0.000 0.458 310 M N -1.522 117.597 119.600 -0.801 0.000 2.595 310 M HA 0.118 4.598 4.480 -0.001 0.000 0.248 310 M C 1.548 177.495 176.300 -0.589 0.000 1.119 310 M CA 0.876 55.551 55.300 -1.041 0.000 1.079 310 M CB -1.185 30.079 32.600 -2.226 0.000 1.472 310 M HN 0.766 nan 8.290 nan 0.000 0.501 311 G N -0.121 108.494 108.800 -0.309 0.000 2.143 311 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.248 311 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.248 311 G C -0.631 174.371 174.900 0.171 0.000 0.991 311 G CA -0.224 44.855 45.100 -0.035 0.000 0.689 311 G HN 0.421 nan 8.290 nan 0.000 0.522 312 W N 1.448 122.719 121.300 -0.048 0.000 2.338 312 W HA 0.589 5.248 4.660 -0.001 0.000 0.307 312 W C 0.664 177.223 176.519 0.067 0.000 1.167 312 W CA -2.051 55.296 57.345 0.004 0.000 1.208 312 W CB 0.375 29.827 29.460 -0.014 0.000 1.228 312 W HN 0.348 nan 8.180 nan 0.000 0.499 313 E N 1.670 122.058 120.200 0.314 0.000 2.452 313 E HA 0.105 4.454 4.350 -0.001 0.000 0.261 313 E C -0.665 176.153 176.600 0.363 0.000 0.987 313 E CA 0.055 56.615 56.400 0.268 0.000 0.926 313 E CB 0.813 30.633 29.700 0.199 0.000 0.934 313 E HN 0.154 nan 8.360 nan 0.000 0.452 314 V N 6.776 126.913 119.914 0.373 0.000 2.353 314 V HA 0.081 4.200 4.120 -0.001 0.000 0.264 314 V C -0.525 175.821 176.094 0.421 0.000 1.049 314 V CA 0.020 62.600 62.300 0.466 0.000 0.896 314 V CB -0.112 31.989 31.823 0.463 0.000 1.025 314 V HN 0.612 nan 8.190 nan 0.000 0.475 315 Y N 8.109 128.577 120.300 0.279 0.000 2.544 315 Y HA 0.351 4.900 4.550 -0.001 0.000 0.347 315 Y C -1.776 174.193 175.900 0.115 0.000 1.089 315 Y CA -1.793 56.410 58.100 0.172 0.000 1.230 315 Y CB 2.070 40.643 38.460 0.187 0.000 1.101 315 Y HN 0.528 nan 8.280 nan 0.000 0.641 316 P HA -0.204 nan 4.420 nan 0.000 0.218 316 P C 1.069 178.000 177.300 -0.616 0.000 1.149 316 P CA 1.388 63.974 63.100 -0.856 0.000 0.817 316 P CB 0.533 31.724 31.700 -0.849 0.000 0.785 317 E N 0.325 120.110 120.200 -0.692 0.000 2.265 317 E HA -0.078 4.271 4.350 -0.001 0.000 0.196 317 E C 2.224 178.433 176.600 -0.653 0.000 0.996 317 E CA 1.286 57.316 56.400 -0.617 0.000 0.832 317 E CB -1.326 28.118 29.700 -0.428 0.000 0.756 317 E HN 0.206 nan 8.360 nan 0.000 0.491 318 G N 0.474 108.628 108.800 -1.078 0.000 2.450 318 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 318 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 318 G C 1.429 176.053 174.900 -0.459 0.000 1.130 318 G CA 0.905 45.781 45.100 -0.372 0.000 0.760 318 G HN 0.353 nan 8.290 nan 0.000 0.557 319 L N -0.555 120.287 121.223 -0.635 0.000 2.109 319 L HA 0.083 4.423 4.340 -0.001 0.000 0.207 319 L C 2.448 179.141 176.870 -0.295 0.000 1.086 319 L CA 1.485 55.963 54.840 -0.602 0.000 0.760 319 L CB -0.843 41.059 42.059 -0.262 0.000 0.910 319 L HN 0.356 nan 8.230 nan 0.000 0.437 320 Y N -0.267 119.817 120.300 -0.360 0.000 2.097 320 Y HA -0.319 4.230 4.550 -0.001 0.000 0.282 320 Y C 2.727 178.457 175.900 -0.284 0.000 1.152 320 Y CA 2.352 60.253 58.100 -0.332 0.000 1.136 320 Y CB -0.486 37.712 38.460 -0.437 0.000 0.975 320 Y HN 0.359 nan 8.280 nan 0.000 0.498 321 H N -0.541 118.403 119.070 -0.209 0.000 2.387 321 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 321 H C 2.256 177.429 175.328 -0.259 0.000 1.090 321 H CA 1.621 57.531 56.048 -0.231 0.000 1.332 321 H CB -0.619 29.164 29.762 0.035 0.000 1.386 321 H HN 0.436 nan 8.280 nan 0.000 0.516 322 L N 0.907 122.044 121.223 -0.144 0.000 2.017 322 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 322 L C 2.293 179.002 176.870 -0.269 0.000 1.073 322 L CA 1.325 56.033 54.840 -0.220 0.000 0.745 322 L CB -0.862 41.024 42.059 -0.287 0.000 0.894 322 L HN 0.108 nan 8.230 nan 0.000 0.432 323 L N -0.705 120.355 121.223 -0.272 0.000 2.083 323 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 323 L C 2.661 179.381 176.870 -0.249 0.000 1.083 323 L CA 0.991 55.693 54.840 -0.231 0.000 0.752 323 L CB -0.711 41.243 42.059 -0.175 0.000 0.899 323 L HN 0.212 nan 8.230 nan 0.000 0.433 324 K N 0.081 120.271 120.400 -0.350 0.000 2.063 324 K HA -0.212 4.107 4.320 -0.001 0.000 0.208 324 K C 2.117 178.599 176.600 -0.196 0.000 1.048 324 K CA 1.334 57.436 56.287 -0.310 0.000 0.928 324 K CB -0.388 31.849 32.500 -0.439 0.000 0.713 324 K HN 0.286 nan 8.250 nan 0.000 0.442 325 R N 1.110 121.500 120.500 -0.183 0.000 2.073 325 R HA -0.069 4.271 4.340 -0.001 0.000 0.234 325 R C 2.447 178.652 176.300 -0.158 0.000 1.134 325 R CA 1.131 57.142 56.100 -0.147 0.000 0.952 325 R CB -0.303 29.912 30.300 -0.142 0.000 0.850 325 R HN 0.086 nan 8.270 nan 0.000 0.433 326 L N -0.044 121.060 121.223 -0.199 0.000 2.083 326 L HA -0.067 4.272 4.340 -0.001 0.000 0.209 326 L C 2.603 179.392 176.870 -0.135 0.000 1.083 326 L CA 1.291 56.018 54.840 -0.187 0.000 0.752 326 L CB -0.695 41.222 42.059 -0.238 0.000 0.899 326 L HN 0.479 nan 8.230 nan 0.000 0.433 327 G N -0.168 108.556 108.800 -0.126 0.000 2.432 327 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.219 327 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.219 327 G C 1.769 176.611 174.900 -0.096 0.000 1.135 327 G CA 0.355 45.397 45.100 -0.097 0.000 0.767 327 G HN 0.304 nan 8.290 nan 0.000 0.550 328 R N 0.026 120.465 120.500 -0.102 0.000 2.115 328 R HA 0.047 4.386 4.340 -0.001 0.000 0.226 328 R C 2.324 178.562 176.300 -0.103 0.000 1.100 328 R CA 1.231 57.277 56.100 -0.090 0.000 0.980 328 R CB -0.077 30.175 30.300 -0.081 0.000 0.875 328 R HN 0.432 nan 8.270 nan 0.000 0.445 329 E N -0.142 119.986 120.200 -0.120 0.000 2.251 329 E HA 0.058 4.407 4.350 -0.001 0.000 0.194 329 E C -0.175 176.309 176.600 -0.194 0.000 0.964 329 E CA 0.221 56.542 56.400 -0.132 0.000 0.868 329 E CB 0.752 30.385 29.700 -0.112 0.000 0.828 329 E HN -0.053 nan 8.360 nan 0.000 0.481 330 V N 3.550 123.337 119.914 -0.211 0.000 2.370 330 V HA 0.130 4.250 4.120 -0.001 0.000 0.283 330 V C -1.815 174.052 176.094 -0.379 0.000 1.023 330 V CA -1.113 60.985 62.300 -0.335 0.000 0.857 330 V CB 1.517 33.234 31.823 -0.178 0.000 0.985 330 V HN 0.097 nan 8.190 nan 0.000 0.443 331 P HA 0.111 nan 4.420 nan 0.000 0.257 331 P C -0.572 176.567 177.300 -0.268 0.000 1.325 331 P CA 0.181 63.004 63.100 -0.462 0.000 0.850 331 P CB 0.263 31.661 31.700 -0.504 0.000 1.324 332 W N 0.544 121.884 121.300 0.067 0.000 2.799 332 W HA 0.416 5.075 4.660 -0.001 0.000 0.349 332 W C -2.469 174.120 176.519 0.118 0.000 1.100 332 W CA -2.927 54.482 57.345 0.107 0.000 1.174 332 W CB -0.430 29.109 29.460 0.132 0.000 1.427 332 W HN -0.247 nan 8.180 nan 0.000 0.547 333 P HA 0.143 nan 4.420 nan 0.000 0.268 333 P C -0.392 177.074 177.300 0.277 0.000 1.208 333 P CA 0.227 63.471 63.100 0.239 0.000 0.777 333 P CB 0.705 32.537 31.700 0.220 0.000 0.875 334 L N 2.128 123.398 121.223 0.078 0.000 2.334 334 L HA 0.510 4.849 4.340 -0.001 0.000 0.273 334 L C -0.550 176.232 176.870 -0.147 0.000 1.013 334 L CA -0.811 54.099 54.840 0.116 0.000 0.816 334 L CB 1.067 43.172 42.059 0.076 0.000 1.278 334 L HN 0.342 nan 8.230 nan 0.000 0.431 335 Y N 0.437 120.847 120.300 0.184 0.000 2.391 335 Y HA 0.353 4.903 4.550 -0.001 0.000 0.341 335 Y C -0.089 175.878 175.900 0.112 0.000 0.965 335 Y CA -0.852 57.296 58.100 0.080 0.000 1.067 335 Y CB 2.174 40.615 38.460 -0.031 0.000 1.199 335 Y HN 0.106 nan 8.280 nan 0.000 0.450 336 V N 3.310 123.369 119.914 0.241 0.000 2.381 336 V HA 0.021 4.140 4.120 -0.001 0.000 0.257 336 V C 0.780 176.965 176.094 0.153 0.000 1.057 336 V CA 0.504 62.925 62.300 0.201 0.000 1.013 336 V CB 0.074 32.048 31.823 0.252 0.000 1.069 336 V HN 1.056 nan 8.190 nan 0.000 0.484 337 T N 1.197 115.791 114.554 0.066 0.000 3.100 337 T HA 0.245 4.595 4.350 -0.001 0.000 0.253 337 T C 0.374 175.044 174.700 -0.049 0.000 1.118 337 T CA 0.101 62.114 62.100 -0.144 0.000 1.058 337 T CB 0.183 68.941 68.868 -0.182 0.000 0.953 337 T HN 0.667 nan 8.240 nan 0.000 0.515 338 E N 0.851 121.046 120.200 -0.007 0.000 2.347 338 E HA 0.424 4.774 4.350 -0.001 0.000 0.285 338 E C -1.485 175.009 176.600 -0.178 0.000 0.925 338 E CA -0.717 55.681 56.400 -0.003 0.000 0.779 338 E CB 1.849 31.539 29.700 -0.017 0.000 1.233 338 E HN 0.235 nan 8.360 nan 0.000 0.414 339 N N 1.738 120.350 118.700 -0.147 0.000 2.431 339 N HA 0.605 5.344 4.740 -0.001 0.000 0.275 339 N C -1.250 174.347 175.510 0.144 0.000 1.091 339 N CA -0.239 52.716 53.050 -0.158 0.000 0.922 339 N CB 2.247 40.800 38.487 0.111 0.000 1.666 339 N HN 0.654 nan 8.380 nan 0.000 0.484 340 G N 0.606 109.568 108.800 0.271 0.000 2.320 340 G HA2 0.688 4.648 3.960 -0.001 0.000 0.296 340 G HA3 0.688 4.648 3.960 -0.001 0.000 0.296 340 G C -2.152 172.849 174.900 0.169 0.000 1.306 340 G CA -0.029 45.308 45.100 0.395 0.000 0.836 340 G HN 0.741 nan 8.290 nan 0.000 0.517 341 A N -1.385 121.450 122.820 0.025 0.000 2.574 341 A HA 0.976 5.295 4.320 -0.001 0.000 0.297 341 A C -0.385 176.792 177.584 -0.679 0.000 1.062 341 A CA 0.267 52.032 52.037 -0.454 0.000 0.686 341 A CB 1.436 19.899 19.000 -0.896 0.000 1.285 341 A HN 2.436 nan 8.150 nan 0.000 0.403 342 A N 1.351 123.440 122.820 -1.219 0.000 2.249 342 A HA 0.743 5.062 4.320 -0.001 0.000 0.314 342 A C -1.144 175.907 177.584 -0.889 0.000 1.290 342 A CA -0.155 51.177 52.037 -1.174 0.000 0.893 342 A CB -0.034 18.059 19.000 -1.513 0.000 1.165 342 A HN 0.762 nan 8.150 nan 0.000 0.530 343 Y N 1.802 121.888 120.300 -0.356 0.000 2.598 343 Y HA 0.523 5.073 4.550 -0.001 0.000 0.340 343 Y C -2.180 173.631 175.900 -0.148 0.000 1.038 343 Y CA -2.385 55.586 58.100 -0.215 0.000 1.100 343 Y CB 1.780 40.154 38.460 -0.143 0.000 1.281 343 Y HN 0.482 nan 8.280 nan 0.000 0.488 344 P HA 0.129 nan 4.420 nan 0.000 0.271 344 P C -1.331 176.026 177.300 0.095 0.000 1.220 344 P CA 0.133 63.265 63.100 0.054 0.000 0.768 344 P CB 0.607 32.338 31.700 0.052 0.000 0.848 345 D N 2.395 122.878 120.400 0.138 0.000 2.780 345 D HA 0.471 5.111 4.640 -0.001 0.000 0.242 345 D C -1.015 175.466 176.300 0.302 0.000 1.135 345 D CA -0.190 53.937 54.000 0.211 0.000 0.859 345 D CB 2.503 43.500 40.800 0.329 0.000 1.530 345 D HN 0.136 nan 8.370 nan 0.000 0.493 346 L N 2.558 123.898 121.223 0.195 0.000 2.491 346 L HA 0.383 4.722 4.340 -0.001 0.000 0.267 346 L C -1.736 175.139 176.870 0.009 0.000 0.971 346 L CA -0.627 54.324 54.840 0.184 0.000 0.857 346 L CB 1.536 43.670 42.059 0.125 0.000 1.226 346 L HN 0.397 nan 8.230 nan 0.000 0.408 347 W N 4.567 125.603 121.300 -0.441 0.000 2.266 347 W HA 0.510 5.170 4.660 -0.001 0.000 0.317 347 W C 0.535 176.923 176.519 -0.219 0.000 1.310 347 W CA 0.291 57.308 57.345 -0.547 0.000 1.207 347 W CB 1.330 30.187 29.460 -1.006 0.000 1.199 347 W HN 0.735 nan 8.180 nan 0.000 0.544 348 T N 2.263 116.458 114.554 -0.598 0.000 3.339 348 T HA 0.387 4.737 4.350 -0.001 0.000 0.292 348 T C 0.837 175.024 174.700 -0.854 0.000 1.012 348 T CA 0.070 61.801 62.100 -0.614 0.000 0.937 348 T CB -0.151 68.537 68.868 -0.300 0.000 1.164 348 T HN 1.393 nan 8.240 nan 0.000 0.509 349 G N 1.873 109.677 108.800 -1.660 0.000 2.179 349 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 349 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 349 G C -0.057 174.678 174.900 -0.275 0.000 0.990 349 G CA -0.078 44.366 45.100 -1.093 0.000 0.646 349 G HN 0.935 nan 8.290 nan 0.000 0.517 350 E N 0.758 120.862 120.200 -0.159 0.000 2.408 350 E HA 0.567 4.917 4.350 -0.001 0.000 0.259 350 E C 1.420 178.171 176.600 0.250 0.000 1.110 350 E CA 0.188 56.629 56.400 0.068 0.000 0.929 350 E CB 0.975 30.693 29.700 0.031 0.000 0.971 350 E HN 0.739 nan 8.360 nan 0.000 0.438 351 A N 2.530 125.432 122.820 0.137 0.000 1.968 351 A HA 0.082 4.401 4.320 -0.001 0.000 0.217 351 A C 0.882 178.520 177.584 0.091 0.000 1.169 351 A CA 0.766 52.876 52.037 0.121 0.000 0.638 351 A CB 0.239 19.281 19.000 0.070 0.000 0.812 351 A HN 0.330 nan 8.150 nan 0.000 0.446 352 V N 0.621 120.577 119.914 0.070 0.000 2.525 352 V HA 0.280 4.399 4.120 -0.001 0.000 0.299 352 V C -0.674 175.442 176.094 0.036 0.000 1.034 352 V CA -0.741 61.580 62.300 0.035 0.000 0.863 352 V CB 1.698 33.533 31.823 0.019 0.000 0.999 352 V HN 0.045 nan 8.190 nan 0.000 0.423 353 V N 4.868 124.794 119.914 0.020 0.000 2.439 353 V HA 0.204 4.323 4.120 -0.001 0.000 0.271 353 V C 0.504 176.602 176.094 0.007 0.000 1.040 353 V CA -0.370 61.938 62.300 0.014 0.000 1.002 353 V CB 0.756 32.565 31.823 -0.023 0.000 1.000 353 V HN 0.776 nan 8.190 nan 0.000 0.477 354 E N 4.993 125.195 120.200 0.003 0.000 2.217 354 E HA 0.174 4.523 4.350 -0.001 0.000 0.279 354 E C -0.230 176.361 176.600 -0.015 0.000 1.068 354 E CA -0.180 56.216 56.400 -0.007 0.000 0.882 354 E CB 0.903 30.597 29.700 -0.011 0.000 1.039 354 E HN 0.813 nan 8.360 nan 0.000 0.418 355 D N 3.033 123.416 120.400 -0.027 0.000 2.749 355 D HA 0.120 4.759 4.640 -0.001 0.000 0.338 355 D C -1.990 174.245 176.300 -0.108 0.000 1.236 355 D CA -1.641 52.328 54.000 -0.051 0.000 0.845 355 D CB 0.865 41.655 40.800 -0.016 0.000 1.080 355 D HN 0.088 nan 8.370 nan 0.000 0.497 356 P HA -0.148 nan 4.420 nan 0.000 0.218 356 P C 1.092 178.262 177.300 -0.216 0.000 1.149 356 P CA 0.996 64.013 63.100 -0.137 0.000 0.817 356 P CB 0.639 32.278 31.700 -0.102 0.000 0.785 357 E N -0.120 119.871 120.200 -0.348 0.000 2.106 357 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 357 E C 2.406 178.706 176.600 -0.500 0.000 0.984 357 E CA 0.570 56.612 56.400 -0.596 0.000 0.806 357 E CB -0.276 28.692 29.700 -1.221 0.000 0.750 357 E HN 0.180 nan 8.360 nan 0.000 0.458 358 R N 0.941 121.244 120.500 -0.328 0.000 2.075 358 R HA -0.123 4.216 4.340 -0.001 0.000 0.232 358 R C 2.274 178.493 176.300 -0.135 0.000 1.126 358 R CA 1.022 57.096 56.100 -0.043 0.000 0.963 358 R CB -0.147 30.165 30.300 0.021 0.000 0.858 358 R HN 0.006 nan 8.270 nan 0.000 0.435 359 V N 1.212 120.976 119.914 -0.250 0.000 2.282 359 V HA -0.287 3.833 4.120 -0.001 0.000 0.249 359 V C 2.502 178.322 176.094 -0.457 0.000 1.057 359 V CA 2.097 64.106 62.300 -0.485 0.000 1.032 359 V CB -0.846 30.775 31.823 -0.337 0.000 0.645 359 V HN 0.572 nan 8.190 nan 0.000 0.447 360 A N -1.195 121.494 122.820 -0.219 0.000 1.933 360 A HA -0.260 4.059 4.320 -0.001 0.000 0.218 360 A C 2.151 179.734 177.584 -0.001 0.000 1.175 360 A CA 2.026 53.995 52.037 -0.113 0.000 0.628 360 A CB -0.765 18.195 19.000 -0.068 0.000 0.814 360 A HN 0.651 nan 8.150 nan 0.000 0.444 361 Y N 0.587 120.870 120.300 -0.029 0.000 2.097 361 Y HA -0.200 4.349 4.550 -0.001 0.000 0.282 361 Y C 1.972 177.982 175.900 0.184 0.000 1.152 361 Y CA 2.053 60.254 58.100 0.169 0.000 1.136 361 Y CB -0.344 38.251 38.460 0.225 0.000 0.975 361 Y HN 0.221 nan 8.280 nan 0.000 0.498 362 L N -0.129 121.197 121.223 0.170 0.000 2.056 362 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 362 L C 2.488 179.371 176.870 0.023 0.000 1.078 362 L CA 1.740 56.600 54.840 0.033 0.000 0.749 362 L CB -0.672 41.109 42.059 -0.464 0.000 0.901 362 L HN 0.213 nan 8.230 nan 0.000 0.433 363 E N 0.733 120.824 120.200 -0.181 0.000 2.058 363 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 363 E C 2.106 178.783 176.600 0.129 0.000 0.997 363 E CA 1.787 58.284 56.400 0.161 0.000 0.801 363 E CB -0.126 29.618 29.700 0.073 0.000 0.746 363 E HN 0.377 nan 8.360 nan 0.000 0.450 364 A N -0.642 122.198 122.820 0.033 0.000 1.930 364 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 364 A C 1.903 179.413 177.584 -0.123 0.000 1.175 364 A CA 1.725 53.726 52.037 -0.061 0.000 0.627 364 A CB -0.843 18.082 19.000 -0.126 0.000 0.815 364 A HN 0.425 nan 8.150 nan 0.000 0.443 365 H N -1.072 117.958 119.070 -0.066 0.000 2.395 365 H HA -0.016 4.540 4.556 -0.001 0.000 0.299 365 H C 2.065 177.420 175.328 0.045 0.000 1.070 365 H CA 1.526 57.572 56.048 -0.003 0.000 1.356 365 H CB -0.138 29.654 29.762 0.049 0.000 1.401 365 H HN 0.227 nan 8.280 nan 0.000 0.524 366 V N 0.806 120.803 119.914 0.138 0.000 2.343 366 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 366 V C 2.499 178.610 176.094 0.028 0.000 1.051 366 V CA 1.950 64.247 62.300 -0.006 0.000 1.036 366 V CB -0.280 31.604 31.823 0.103 0.000 0.654 366 V HN 0.494 nan 8.190 nan 0.000 0.451 367 E N 0.690 120.912 120.200 0.038 0.000 2.085 367 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 367 E C 2.240 178.813 176.600 -0.045 0.000 0.994 367 E CA 1.809 58.205 56.400 -0.008 0.000 0.801 367 E CB -0.176 29.511 29.700 -0.022 0.000 0.743 367 E HN 0.523 nan 8.360 nan 0.000 0.453 368 A N 1.186 123.967 122.820 -0.066 0.000 1.898 368 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 368 A C 2.454 180.057 177.584 0.031 0.000 1.181 368 A CA 2.144 54.139 52.037 -0.069 0.000 0.620 368 A CB -0.721 18.191 19.000 -0.147 0.000 0.819 368 A HN 0.366 nan 8.150 nan 0.000 0.442 369 A N -0.266 122.576 122.820 0.036 0.000 1.898 369 A HA -0.011 4.309 4.320 -0.001 0.000 0.216 369 A C 2.135 179.732 177.584 0.022 0.000 1.181 369 A CA 1.446 53.521 52.037 0.063 0.000 0.620 369 A CB -0.592 18.495 19.000 0.146 0.000 0.819 369 A HN 0.460 nan 8.150 nan 0.000 0.442 370 L N -1.215 119.992 121.223 -0.027 0.000 2.201 370 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 370 L C 2.731 179.573 176.870 -0.047 0.000 1.105 370 L CA 1.458 56.242 54.840 -0.094 0.000 0.775 370 L CB -0.385 41.597 42.059 -0.128 0.000 0.913 370 L HN 0.483 nan 8.230 nan 0.000 0.440 371 R N 0.485 120.982 120.500 -0.004 0.000 2.073 371 R HA -0.108 4.231 4.340 -0.001 0.000 0.229 371 R C 2.390 178.765 176.300 0.126 0.000 1.120 371 R CA 1.256 57.369 56.100 0.021 0.000 0.967 371 R CB -0.194 30.076 30.300 -0.050 0.000 0.862 371 R HN 0.266 nan 8.270 nan 0.000 0.436 372 A N 1.250 124.185 122.820 0.192 0.000 1.908 372 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 372 A C 2.213 179.799 177.584 0.002 0.000 1.181 372 A CA 1.624 53.700 52.037 0.065 0.000 0.627 372 A CB -0.654 18.281 19.000 -0.108 0.000 0.818 372 A HN 0.436 nan 8.150 nan 0.000 0.445 373 R N -0.348 120.148 120.500 -0.006 0.000 2.073 373 R HA -0.182 4.157 4.340 -0.001 0.000 0.234 373 R C 2.196 178.483 176.300 -0.023 0.000 1.134 373 R CA 1.815 57.901 56.100 -0.023 0.000 0.952 373 R CB -0.334 29.937 30.300 -0.048 0.000 0.850 373 R HN 0.703 nan 8.270 nan 0.000 0.433 374 E N 0.299 120.485 120.200 -0.023 0.000 2.118 374 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 374 E C 1.418 178.017 176.600 -0.002 0.000 0.992 374 E CA 1.487 57.875 56.400 -0.020 0.000 0.804 374 E CB 0.114 29.800 29.700 -0.024 0.000 0.741 374 E HN 0.490 nan 8.360 nan 0.000 0.458 375 E N -1.653 118.558 120.200 0.018 0.000 2.347 375 E HA -0.033 4.316 4.350 -0.001 0.000 0.196 375 E C 1.169 177.770 176.600 0.003 0.000 1.008 375 E CA 0.533 56.947 56.400 0.023 0.000 0.852 375 E CB 0.458 30.195 29.700 0.062 0.000 0.783 375 E HN 0.439 nan 8.360 nan 0.000 0.505 376 G N 0.175 108.971 108.800 -0.008 0.000 3.246 376 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.218 376 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.218 376 G C 0.191 175.078 174.900 -0.020 0.000 0.978 376 G CA -0.342 44.750 45.100 -0.013 0.000 0.825 376 G HN 0.069 nan 8.290 nan 0.000 0.546 377 V N 2.283 122.177 119.914 -0.033 0.000 2.599 377 V HA 0.262 4.382 4.120 -0.001 0.000 0.300 377 V C 0.538 176.621 176.094 -0.018 0.000 1.034 377 V CA 0.460 62.736 62.300 -0.040 0.000 1.115 377 V CB 1.499 33.282 31.823 -0.067 0.000 0.934 377 V HN 0.299 nan 8.190 nan 0.000 0.485 378 D N 4.351 124.745 120.400 -0.011 0.000 2.713 378 D HA 0.140 4.779 4.640 -0.001 0.000 0.229 378 D C -0.363 175.920 176.300 -0.029 0.000 1.136 378 D CA -0.310 53.689 54.000 -0.001 0.000 1.010 378 D CB -0.001 40.812 40.800 0.023 0.000 1.084 378 D HN 0.375 nan 8.370 nan 0.000 0.495 379 L N 2.538 123.751 121.223 -0.016 0.000 2.261 379 L HA 0.338 4.677 4.340 -0.001 0.000 0.289 379 L C 0.954 177.813 176.870 -0.019 0.000 1.059 379 L CA 0.088 54.915 54.840 -0.022 0.000 0.816 379 L CB 0.683 42.789 42.059 0.078 0.000 1.191 379 L HN 0.091 nan 8.230 nan 0.000 0.431 380 R N 3.502 123.769 120.500 -0.389 0.000 2.397 380 R HA 0.465 4.805 4.340 -0.001 0.000 0.241 380 R C 0.243 176.048 176.300 -0.824 0.000 0.914 380 R CA 0.217 56.025 56.100 -0.487 0.000 1.071 380 R CB 0.738 30.690 30.300 -0.579 0.000 1.116 380 R HN 0.815 nan 8.270 nan 0.000 0.524 381 G N -0.178 108.065 108.800 -0.928 0.000 2.451 381 G HA2 0.292 4.252 3.960 -0.001 0.000 0.292 381 G HA3 0.292 4.252 3.960 -0.001 0.000 0.292 381 G C -2.376 172.236 174.900 -0.479 0.000 1.427 381 G CA -0.564 43.811 45.100 -1.209 0.000 0.792 381 G HN 0.055 nan 8.290 nan 0.000 0.498 382 Y N -0.185 119.763 120.300 -0.586 0.000 2.401 382 Y HA 0.729 5.278 4.550 -0.001 0.000 0.330 382 Y C -1.903 173.966 175.900 -0.052 0.000 1.071 382 Y CA -1.445 56.639 58.100 -0.027 0.000 1.049 382 Y CB 1.688 40.266 38.460 0.197 0.000 1.239 382 Y HN 0.474 nan 8.280 nan 0.000 0.437 383 F N 5.748 125.470 119.950 -0.380 0.000 2.477 383 F HA 0.531 5.057 4.527 -0.001 0.000 0.335 383 F C -0.498 175.119 175.800 -0.306 0.000 1.130 383 F CA -1.285 56.600 58.000 -0.191 0.000 0.948 383 F CB 1.687 40.583 39.000 -0.173 0.000 1.154 383 F HN 0.185 nan 8.300 nan 0.000 0.439 384 V N 3.644 123.583 119.914 0.041 0.000 2.521 384 V HA -0.084 4.035 4.120 -0.001 0.000 0.286 384 V C -0.314 175.905 176.094 0.209 0.000 1.034 384 V CA -0.421 61.917 62.300 0.064 0.000 1.045 384 V CB 0.670 32.476 31.823 -0.028 0.000 0.974 384 V HN 0.733 nan 8.190 nan 0.000 0.480 385 W N 6.048 127.394 121.300 0.077 0.000 2.308 385 W HA 0.595 5.254 4.660 -0.001 0.000 0.311 385 W C -0.151 176.480 176.519 0.187 0.000 1.088 385 W CA -0.114 57.297 57.345 0.110 0.000 1.309 385 W CB 1.506 31.023 29.460 0.095 0.000 1.229 385 W HN 0.624 nan 8.180 nan 0.000 0.427 386 S N 4.163 119.755 115.700 -0.179 0.000 2.651 386 S HA 0.289 4.759 4.470 -0.001 0.000 0.279 386 S C 0.377 174.879 174.600 -0.164 0.000 1.148 386 S CA -0.689 57.179 58.200 -0.553 0.000 0.837 386 S CB 1.378 63.820 63.200 -1.264 0.000 1.138 386 S HN 0.500 nan 8.310 nan 0.000 0.478 387 L N 2.294 123.452 121.223 -0.108 0.000 2.013 387 L HA 0.182 4.521 4.340 -0.001 0.000 0.212 387 L C 0.666 177.596 176.870 0.100 0.000 1.073 387 L CA 2.224 57.104 54.840 0.067 0.000 0.753 387 L CB -0.604 41.491 42.059 0.061 0.000 0.890 387 L HN 0.811 nan 8.230 nan 0.000 0.432 388 M N -3.065 116.517 119.600 -0.029 0.000 2.569 388 M HA 0.420 4.899 4.480 -0.001 0.000 0.279 388 M C -1.274 175.001 176.300 -0.042 0.000 1.253 388 M CA -1.002 54.305 55.300 0.010 0.000 0.867 388 M CB 1.299 33.897 32.600 -0.005 0.000 1.727 388 M HN -0.301 nan 8.290 nan 0.000 0.467 389 D N 2.869 123.258 120.400 -0.020 0.000 2.472 389 D HA 0.322 4.961 4.640 -0.001 0.000 0.237 389 D C -0.662 175.783 176.300 0.243 0.000 1.141 389 D CA 0.877 54.919 54.000 0.071 0.000 0.875 389 D CB 0.362 41.139 40.800 -0.038 0.000 1.192 389 D HN 0.814 nan 8.370 nan 0.000 0.450 390 N N -0.709 118.161 118.700 0.283 0.000 3.364 390 N HA 0.252 4.991 4.740 -0.001 0.000 0.294 390 N C -1.446 174.067 175.510 0.005 0.000 1.562 390 N CA -0.925 52.259 53.050 0.223 0.000 0.862 390 N CB 0.202 38.696 38.487 0.010 0.000 1.691 390 N HN 0.214 nan 8.380 nan 0.000 0.572 391 F N 0.857 120.573 119.950 -0.391 0.000 2.487 391 F HA 0.290 4.817 4.527 -0.001 0.000 0.364 391 F C 0.624 176.028 175.800 -0.660 0.000 1.126 391 F CA -0.293 57.217 58.000 -0.816 0.000 1.135 391 F CB 0.469 38.988 39.000 -0.801 0.000 1.127 391 F HN 0.630 nan 8.300 nan 0.000 0.559 392 E N 7.356 127.068 120.200 -0.814 0.000 2.325 392 E HA 0.182 4.532 4.350 -0.001 0.000 0.295 392 E C -0.315 176.027 176.600 -0.431 0.000 1.461 392 E CA -0.075 56.045 56.400 -0.468 0.000 1.698 392 E CB -0.518 29.176 29.700 -0.010 0.000 1.496 392 E HN 0.740 nan 8.360 nan 0.000 0.474 393 W N 0.581 121.434 121.300 -0.745 0.000 2.245 393 W HA -0.467 4.192 4.660 -0.001 0.000 0.286 393 W C 1.737 178.133 176.519 -0.204 0.000 1.350 393 W CA 0.577 57.628 57.345 -0.491 0.000 1.307 393 W CB -1.635 27.707 29.460 -0.197 0.000 0.894 393 W HN 0.296 nan 8.180 nan 0.000 0.518 394 A N -0.476 122.637 122.820 0.490 0.000 2.172 394 A HA 0.033 4.352 4.320 -0.001 0.000 0.216 394 A C 1.213 178.665 177.584 -0.220 0.000 1.154 394 A CA 1.722 53.891 52.037 0.220 0.000 0.701 394 A CB -0.881 18.238 19.000 0.198 0.000 0.789 394 A HN 0.441 nan 8.150 nan 0.000 0.465 395 F N -0.674 119.289 119.950 0.021 0.000 2.776 395 F HA 0.339 4.865 4.527 -0.001 0.000 0.300 395 F C 1.939 177.615 175.800 -0.206 0.000 1.116 395 F CA 0.372 58.336 58.000 -0.060 0.000 1.375 395 F CB -0.287 38.691 39.000 -0.037 0.000 1.109 395 F HN 0.406 nan 8.300 nan 0.000 0.585 396 G N 0.647 109.219 108.800 -0.379 0.000 2.596 396 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.295 396 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.295 396 G C 0.212 174.745 174.900 -0.612 0.000 1.240 396 G CA 0.584 45.319 45.100 -0.609 0.000 0.985 396 G HN 0.321 nan 8.290 nan 0.000 0.555 397 Y N 1.777 122.015 120.300 -0.103 0.000 2.532 397 Y HA 0.338 4.887 4.550 -0.001 0.000 0.283 397 Y C 2.695 178.594 175.900 -0.000 0.000 1.181 397 Y CA 1.090 59.110 58.100 -0.133 0.000 1.256 397 Y CB 0.045 38.304 38.460 -0.335 0.000 1.112 397 Y HN 0.665 nan 8.280 nan 0.000 0.521 398 T N -2.520 112.095 114.554 0.102 0.000 3.100 398 T HA 0.174 4.524 4.350 -0.001 0.000 0.253 398 T C 0.686 175.412 174.700 0.044 0.000 1.118 398 T CA 0.029 62.194 62.100 0.108 0.000 1.058 398 T CB 0.146 69.091 68.868 0.129 0.000 0.953 398 T HN -0.108 nan 8.240 nan 0.000 0.515 399 R N 1.379 121.882 120.500 0.005 0.000 2.532 399 R HA 0.521 4.860 4.340 -0.001 0.000 0.297 399 R C -0.959 175.311 176.300 -0.051 0.000 0.984 399 R CA -0.427 55.596 56.100 -0.128 0.000 0.884 399 R CB 1.805 31.940 30.300 -0.275 0.000 1.182 399 R HN 0.299 nan 8.270 nan 0.000 0.442 400 R N 2.380 122.799 120.500 -0.134 0.000 2.393 400 R HA 0.383 4.722 4.340 -0.001 0.000 0.315 400 R C 0.063 176.276 176.300 -0.145 0.000 0.952 400 R CA -0.255 55.824 56.100 -0.034 0.000 0.842 400 R CB 0.980 31.269 30.300 -0.018 0.000 1.163 400 R HN 0.476 nan 8.270 nan 0.000 0.450 401 F N 0.208 120.158 119.950 -0.000 0.000 2.678 401 F HA 0.243 4.769 4.527 -0.001 0.000 0.305 401 F C 1.580 177.370 175.800 -0.017 0.000 1.090 401 F CA -0.348 57.668 58.000 0.027 0.000 1.272 401 F CB 0.940 40.048 39.000 0.180 0.000 1.060 401 F HN 0.607 nan 8.300 nan 0.000 0.576 402 G N 0.330 109.194 108.800 0.106 0.000 2.527 402 G HA2 0.267 4.226 3.960 -0.001 0.000 0.248 402 G HA3 0.267 4.226 3.960 -0.001 0.000 0.248 402 G C 0.948 175.884 174.900 0.061 0.000 1.231 402 G CA -0.440 44.692 45.100 0.054 0.000 0.838 402 G HN 0.214 nan 8.290 nan 0.000 0.570 403 L N -0.002 121.259 121.223 0.063 0.000 2.156 403 L HA 0.058 4.397 4.340 -0.001 0.000 0.208 403 L C 0.270 177.044 176.870 -0.161 0.000 1.095 403 L CA 0.698 55.536 54.840 -0.003 0.000 0.770 403 L CB -0.267 41.819 42.059 0.045 0.000 0.914 403 L HN 0.397 nan 8.230 nan 0.000 0.439 404 Y N -1.897 118.416 120.300 0.022 0.000 2.341 404 Y HA 0.260 4.810 4.550 -0.001 0.000 0.337 404 Y C -0.051 175.833 175.900 -0.028 0.000 1.014 404 Y CA -1.030 57.066 58.100 -0.006 0.000 1.111 404 Y CB 0.776 39.210 38.460 -0.044 0.000 1.194 404 Y HN -0.152 nan 8.280 nan 0.000 0.462 405 Y N 2.889 123.166 120.300 -0.038 0.000 2.359 405 Y HA 0.432 4.982 4.550 -0.001 0.000 0.330 405 Y C -0.622 175.120 175.900 -0.263 0.000 1.143 405 Y CA -0.487 57.528 58.100 -0.142 0.000 1.318 405 Y CB 0.574 38.922 38.460 -0.185 0.000 1.234 405 Y HN 0.334 nan 8.280 nan 0.000 0.522 406 V N 6.369 125.854 119.914 -0.715 0.000 2.384 406 V HA 0.103 4.223 4.120 -0.001 0.000 0.287 406 V C -0.695 174.795 176.094 -1.007 0.000 1.020 406 V CA -0.989 60.836 62.300 -0.791 0.000 0.850 406 V CB 1.412 32.669 31.823 -0.944 0.000 0.987 406 V HN 0.739 nan 8.190 nan 0.000 0.436 407 D N 3.650 123.774 120.400 -0.461 0.000 2.402 407 D HA 0.235 4.874 4.640 -0.001 0.000 0.235 407 D C 0.751 176.907 176.300 -0.240 0.000 1.226 407 D CA -0.073 53.823 54.000 -0.173 0.000 0.918 407 D CB 0.317 41.112 40.800 -0.008 0.000 1.043 407 D HN 0.366 nan 8.370 nan 0.000 0.506 408 F N 3.408 123.317 119.950 -0.069 0.000 2.126 408 F HA -0.037 4.490 4.527 -0.001 0.000 0.299 408 F C -0.463 175.286 175.800 -0.086 0.000 1.096 408 F CA 0.575 58.495 58.000 -0.134 0.000 1.255 408 F CB -1.575 37.256 39.000 -0.281 0.000 0.997 408 F HN 0.459 nan 8.300 nan 0.000 0.479 409 P HA -0.149 nan 4.420 nan 0.000 0.216 409 P C 1.602 178.933 177.300 0.052 0.000 1.150 409 P CA 2.244 65.388 63.100 0.074 0.000 0.837 409 P CB -0.140 31.613 31.700 0.090 0.000 0.786 410 S N -2.950 112.779 115.700 0.048 0.000 2.511 410 S HA 0.041 4.510 4.470 -0.001 0.000 0.214 410 S C 0.986 175.578 174.600 -0.013 0.000 0.997 410 S CA -0.116 58.102 58.200 0.029 0.000 0.908 410 S CB -0.491 62.745 63.200 0.060 0.000 0.803 410 S HN -0.037 nan 8.310 nan 0.000 0.504 411 Q N 0.006 119.781 119.800 -0.042 0.000 2.406 411 Q HA -0.206 4.133 4.340 -0.001 0.000 0.236 411 Q C 0.143 176.066 176.000 -0.128 0.000 0.799 411 Q CA 0.932 56.687 55.803 -0.079 0.000 1.286 411 Q CB -1.775 26.943 28.738 -0.034 0.000 1.615 411 Q HN 0.826 nan 8.270 nan 0.000 0.621 412 R N 1.218 121.628 120.500 -0.149 0.000 2.537 412 R HA 0.204 4.543 4.340 -0.001 0.000 0.280 412 R C -0.356 175.788 176.300 -0.260 0.000 1.058 412 R CA 0.102 56.085 56.100 -0.195 0.000 1.057 412 R CB 0.525 30.686 30.300 -0.233 0.000 0.973 412 R HN -0.080 nan 8.270 nan 0.000 0.438 413 R N 3.934 124.308 120.500 -0.210 0.000 2.294 413 R HA 0.369 4.709 4.340 -0.001 0.000 0.319 413 R C -0.900 175.338 176.300 -0.103 0.000 0.984 413 R CA -0.309 55.692 56.100 -0.165 0.000 0.861 413 R CB 1.114 31.288 30.300 -0.210 0.000 1.104 413 R HN 0.467 nan 8.270 nan 0.000 0.451 414 I N 4.897 125.426 120.570 -0.069 0.000 2.436 414 I HA 0.358 4.527 4.170 -0.001 0.000 0.289 414 I C -2.114 174.050 176.117 0.078 0.000 1.010 414 I CA -2.418 58.828 61.300 -0.089 0.000 1.098 414 I CB 2.036 39.755 38.000 -0.469 0.000 1.266 414 I HN 0.450 nan 8.210 nan 0.000 0.434 415 P HA 0.100 nan 4.420 nan 0.000 0.268 415 P C -0.904 176.313 177.300 -0.138 0.000 1.205 415 P CA -0.207 62.762 63.100 -0.217 0.000 0.771 415 P CB 0.637 32.245 31.700 -0.154 0.000 0.858 416 K N 1.926 122.220 120.400 -0.178 0.000 2.098 416 K HA 0.244 4.564 4.320 -0.001 0.000 0.244 416 K C 1.452 178.018 176.600 -0.055 0.000 1.014 416 K CA -0.644 55.603 56.287 -0.068 0.000 0.917 416 K CB 0.548 33.036 32.500 -0.021 0.000 1.072 416 K HN 0.141 nan 8.250 nan 0.000 0.477 417 R N 1.319 121.813 120.500 -0.010 0.000 2.117 417 R HA -0.163 4.177 4.340 -0.001 0.000 0.243 417 R C 1.959 178.308 176.300 0.082 0.000 1.143 417 R CA 2.337 58.452 56.100 0.025 0.000 0.968 417 R CB -0.741 29.570 30.300 0.019 0.000 0.863 417 R HN 0.771 nan 8.270 nan 0.000 0.444 418 S N -0.652 115.084 115.700 0.060 0.000 2.399 418 S HA -0.092 4.377 4.470 -0.001 0.000 0.231 418 S C 2.148 176.907 174.600 0.265 0.000 1.022 418 S CA 0.902 59.195 58.200 0.154 0.000 0.983 418 S CB -0.496 62.726 63.200 0.037 0.000 0.803 418 S HN 0.409 nan 8.310 nan 0.000 0.480 419 A N 1.868 124.716 122.820 0.047 0.000 1.902 419 A HA 0.097 4.416 4.320 -0.001 0.000 0.217 419 A C 2.186 179.813 177.584 0.072 0.000 1.181 419 A CA 1.528 53.549 52.037 -0.028 0.000 0.623 419 A CB -0.804 17.904 19.000 -0.487 0.000 0.818 419 A HN 0.470 nan 8.150 nan 0.000 0.443 420 L N -2.266 118.990 121.223 0.056 0.000 2.093 420 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 420 L C 2.235 179.165 176.870 0.100 0.000 1.085 420 L CA 1.682 56.555 54.840 0.055 0.000 0.755 420 L CB -1.006 41.078 42.059 0.041 0.000 0.904 420 L HN 0.768 nan 8.230 nan 0.000 0.435 421 W N -0.909 120.395 121.300 0.006 0.000 2.338 421 W HA -0.324 4.336 4.660 -0.001 0.000 0.304 421 W C 2.638 179.197 176.519 0.066 0.000 1.212 421 W CA 1.538 58.899 57.345 0.026 0.000 1.264 421 W CB -0.478 29.006 29.460 0.041 0.000 1.142 421 W HN 0.207 nan 8.180 nan 0.000 0.512 422 Y N 1.562 121.778 120.300 -0.140 0.000 2.200 422 Y HA -0.132 4.417 4.550 -0.001 0.000 0.290 422 Y C 2.823 178.414 175.900 -0.515 0.000 1.137 422 Y CA 2.312 60.072 58.100 -0.566 0.000 1.163 422 Y CB -1.093 37.370 38.460 0.004 0.000 0.988 422 Y HN 0.035 nan 8.280 nan 0.000 0.518 423 R N 0.315 120.671 120.500 -0.241 0.000 2.096 423 R HA -0.214 4.126 4.340 -0.001 0.000 0.240 423 R C 2.329 178.399 176.300 -0.383 0.000 1.139 423 R CA 1.938 57.862 56.100 -0.294 0.000 0.952 423 R CB -0.409 29.811 30.300 -0.134 0.000 0.854 423 R HN 0.341 nan 8.270 nan 0.000 0.436 424 E N 0.598 120.581 120.200 -0.362 0.000 2.072 424 E HA -0.237 4.112 4.350 -0.001 0.000 0.191 424 E C 1.972 178.264 176.600 -0.514 0.000 0.985 424 E CA 1.288 57.475 56.400 -0.356 0.000 0.801 424 E CB -0.102 29.444 29.700 -0.257 0.000 0.750 424 E HN 0.152 nan 8.360 nan 0.000 0.452 425 R N 0.866 120.886 120.500 -0.801 0.000 2.081 425 R HA -0.021 4.319 4.340 -0.001 0.000 0.235 425 R C 2.483 178.192 176.300 -0.986 0.000 1.131 425 R CA 1.342 56.902 56.100 -0.899 0.000 0.960 425 R CB -0.740 28.778 30.300 -1.303 0.000 0.856 425 R HN 0.265 nan 8.270 nan 0.000 0.436 426 I N 0.129 119.990 120.570 -1.182 0.000 2.208 426 I HA -0.228 3.941 4.170 -0.001 0.000 0.245 426 I C 1.993 177.700 176.117 -0.684 0.000 1.097 426 I CA 1.562 62.055 61.300 -1.346 0.000 1.363 426 I CB -0.323 37.018 38.000 -1.099 0.000 1.051 426 I HN 0.290 nan 8.210 nan 0.000 0.413 427 A N 0.184 122.721 122.820 -0.472 0.000 2.208 427 A HA -0.013 4.306 4.320 -0.001 0.000 0.209 427 A C 1.381 178.841 177.584 -0.207 0.000 1.161 427 A CA -0.124 51.754 52.037 -0.265 0.000 0.782 427 A CB -0.343 18.529 19.000 -0.214 0.000 0.816 427 A HN 0.269 nan 8.150 nan 0.000 0.477 428 R N 0.660 121.007 120.500 -0.255 0.000 2.522 428 R HA 0.350 4.690 4.340 -0.001 0.000 0.284 428 R C 0.590 176.827 176.300 -0.104 0.000 1.032 428 R CA 0.309 56.304 56.100 -0.176 0.000 1.049 428 R CB 0.320 30.500 30.300 -0.200 0.000 0.956 428 R HN 0.336 nan 8.270 nan 0.000 0.422 429 A N 0.000 122.775 122.820 -0.075 0.000 2.254 429 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 429 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 429 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 429 A HN 0.000 nan 8.150 nan 0.000 0.486