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 2f27_1_B DATA FIRST_RESID 1 DATA SEQUENCE MASLPVLQKE SVFQSGAHAY RIPALLYLPG QQSLLAFAEQ RASKKDEHAE DATA SEQUENCE LIVLRRGDYD APTHQVQWQA QEVVAQARLD GHRSMNPCPL YDAQTGTLFL DATA SEQUENCE FFIAIPGQVT QEQQLQTRAN VTRLCQVTST DHGRTWSSPR DLTDAAIGPA DATA SEQUENCE YREWSTFAVG PGHCLQLNDR ARSLVVPAYA YRKLHPIQRP IPSAFCFLSH DATA SEQUENCE DHGRTWARGH FVAQDTLECQ VAEVETGEQR VVTLNARSHL RARVQAQSTN DATA SEQUENCE DGLDFQESQL VKKLVEPPPQ GCQGSVISFP SPRXXXXSPA QWLLYTHPTH DATA SEQUENCE SWQRADLGAY LNPRPPAPEA WSEPVLLAKG SCAYSDLQSM GTGPDGSPLF DATA SEQUENCE GCLYEANDYE EIVFLMFTLK QAFPAEY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.280 176.300 -0.034 0.000 1.140 1 M CA 0.000 55.282 55.300 -0.029 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 A N 1.991 124.790 122.820 -0.035 0.000 2.366 2 A HA 0.734 5.054 4.320 -0.001 0.000 0.249 2 A C 0.779 178.329 177.584 -0.057 0.000 1.084 2 A CA 0.328 52.343 52.037 -0.037 0.000 0.794 2 A CB 0.356 19.338 19.000 -0.030 0.000 1.034 2 A HN 0.726 nan 8.150 nan 0.000 0.491 3 S N 0.504 116.167 115.700 -0.061 0.000 2.626 3 S HA 0.382 4.852 4.470 -0.001 0.000 0.257 3 S C 0.192 174.729 174.600 -0.106 0.000 1.288 3 S CA -0.507 57.637 58.200 -0.094 0.000 0.980 3 S CB 0.110 63.255 63.200 -0.092 0.000 0.975 3 S HN 1.149 nan 8.310 nan 0.000 0.577 4 L N 2.312 123.442 121.223 -0.155 0.000 2.499 4 L HA 0.320 4.660 4.340 -0.001 0.000 0.273 4 L C -2.103 174.698 176.870 -0.114 0.000 1.195 4 L CA -1.305 53.435 54.840 -0.166 0.000 0.882 4 L CB -0.222 41.673 42.059 -0.273 0.000 1.133 4 L HN 0.523 nan 8.230 nan 0.000 0.483 5 P HA 0.181 nan 4.420 nan 0.000 0.276 5 P C -0.908 176.386 177.300 -0.011 0.000 1.253 5 P CA -0.192 62.890 63.100 -0.031 0.000 0.766 5 P CB 0.971 32.661 31.700 -0.018 0.000 0.845 6 V N 1.506 121.432 119.914 0.019 0.000 3.166 6 V HA 0.354 4.473 4.120 -0.001 0.000 0.317 6 V C 1.637 177.798 176.094 0.112 0.000 1.136 6 V CA -0.877 61.473 62.300 0.083 0.000 1.035 6 V CB 1.143 33.023 31.823 0.095 0.000 1.110 6 V HN 0.296 nan 8.190 nan 0.000 0.450 7 L N -0.460 120.857 121.223 0.157 0.000 2.109 7 L HA 0.167 4.506 4.340 -0.001 0.000 0.207 7 L C 1.210 178.181 176.870 0.169 0.000 1.086 7 L CA 1.525 56.472 54.840 0.179 0.000 0.760 7 L CB -0.085 42.101 42.059 0.212 0.000 0.910 7 L HN 0.918 nan 8.230 nan 0.000 0.437 8 Q N -0.456 119.430 119.800 0.143 0.000 2.426 8 Q HA 0.343 4.682 4.340 -0.001 0.000 0.278 8 Q C -1.415 174.639 176.000 0.090 0.000 1.007 8 Q CA -0.720 55.167 55.803 0.141 0.000 0.850 8 Q CB 2.242 31.118 28.738 0.230 0.000 1.427 8 Q HN -0.069 nan 8.270 nan 0.000 0.391 9 K N 2.477 122.947 120.400 0.115 0.000 2.656 9 K HA 0.353 4.673 4.320 -0.001 0.000 0.253 9 K C -2.037 174.636 176.600 0.122 0.000 1.002 9 K CA -0.223 56.123 56.287 0.099 0.000 0.880 9 K CB 1.555 34.103 32.500 0.081 0.000 1.232 9 K HN 0.675 nan 8.250 nan 0.000 0.456 10 E N 2.334 122.626 120.200 0.154 0.000 2.356 10 E HA 0.327 4.677 4.350 -0.001 0.000 0.275 10 E C -1.419 175.187 176.600 0.011 0.000 0.904 10 E CA -0.759 55.706 56.400 0.109 0.000 0.757 10 E CB 1.953 31.770 29.700 0.195 0.000 1.232 10 E HN 0.415 nan 8.360 nan 0.000 0.442 11 S N 2.278 117.943 115.700 -0.059 0.000 2.448 11 S HA 0.129 4.599 4.470 -0.001 0.000 0.279 11 S C 0.921 175.366 174.600 -0.259 0.000 1.195 11 S CA -0.411 57.708 58.200 -0.135 0.000 1.051 11 S CB 1.015 64.156 63.200 -0.097 0.000 0.948 11 S HN 0.493 nan 8.310 nan 0.000 0.493 12 V N 0.486 120.152 119.914 -0.414 0.000 3.471 12 V HA 0.469 4.589 4.120 -0.001 0.000 0.258 12 V C -0.190 175.306 176.094 -0.997 0.000 1.192 12 V CA 0.511 62.332 62.300 -0.800 0.000 1.116 12 V CB -0.659 30.433 31.823 -1.219 0.000 0.792 12 V HN 0.563 nan 8.190 nan 0.000 0.459 13 F N 0.237 119.998 119.950 -0.315 0.000 2.591 13 F HA 0.789 5.315 4.527 -0.001 0.000 0.309 13 F C -0.251 175.408 175.800 -0.236 0.000 1.098 13 F CA -0.811 56.958 58.000 -0.386 0.000 0.937 13 F CB 2.232 40.995 39.000 -0.396 0.000 1.250 13 F HN -0.039 nan 8.300 nan 0.000 0.447 14 Q N 0.815 120.602 119.800 -0.021 0.000 2.379 14 Q HA 0.472 4.812 4.340 -0.001 0.000 0.278 14 Q C -1.096 175.055 176.000 0.251 0.000 1.068 14 Q CA -1.073 54.782 55.803 0.087 0.000 0.816 14 Q CB 2.763 31.518 28.738 0.029 0.000 1.387 14 Q HN 0.592 nan 8.270 nan 0.000 0.413 15 S N 0.252 116.102 115.700 0.250 0.000 2.568 15 S HA 0.474 4.943 4.470 -0.001 0.000 0.282 15 S C 0.224 174.940 174.600 0.192 0.000 1.338 15 S CA 0.553 58.905 58.200 0.253 0.000 1.045 15 S CB 0.738 64.023 63.200 0.142 0.000 0.873 15 S HN 0.803 nan 8.310 nan 0.000 0.516 16 G N 0.751 109.660 108.800 0.182 0.000 3.454 16 G HA2 0.465 4.425 3.960 -0.001 0.000 0.162 16 G HA3 0.465 4.425 3.960 -0.001 0.000 0.162 16 G C 0.721 175.634 174.900 0.022 0.000 1.223 16 G CA 0.150 45.314 45.100 0.107 0.000 1.394 16 G HN 0.713 nan 8.290 nan 0.000 0.709 17 A N -0.535 122.266 122.820 -0.031 0.000 2.014 17 A HA 0.301 4.621 4.320 -0.001 0.000 0.218 17 A C 1.022 178.333 177.584 -0.455 0.000 1.163 17 A CA 1.101 52.988 52.037 -0.251 0.000 0.652 17 A CB -0.513 18.291 19.000 -0.327 0.000 0.808 17 A HN 0.508 nan 8.150 nan 0.000 0.449 18 H N -2.289 116.767 119.070 -0.023 0.000 2.855 18 H HA 0.667 5.223 4.556 -0.001 0.000 0.363 18 H C -0.348 174.815 175.328 -0.275 0.000 1.185 18 H CA -0.331 55.598 56.048 -0.200 0.000 1.174 18 H CB 1.634 31.171 29.762 -0.375 0.000 1.857 18 H HN 0.241 nan 8.280 nan 0.000 0.565 19 A N 0.959 123.641 122.820 -0.231 0.000 2.294 19 A HA 0.629 4.948 4.320 -0.001 0.000 0.330 19 A C -1.556 175.725 177.584 -0.506 0.000 1.133 19 A CA -0.469 51.458 52.037 -0.184 0.000 0.836 19 A CB 0.596 19.553 19.000 -0.071 0.000 1.190 19 A HN 0.557 nan 8.150 nan 0.000 0.492 20 Y N 0.430 120.730 120.300 -0.000 0.000 2.373 20 Y HA 0.648 5.198 4.550 -0.001 0.000 0.336 20 Y C 0.528 176.385 175.900 -0.072 0.000 0.979 20 Y CA -0.372 57.673 58.100 -0.091 0.000 1.080 20 Y CB 2.006 40.383 38.460 -0.139 0.000 1.190 20 Y HN 0.758 nan 8.280 nan 0.000 0.446 21 R N 2.039 122.534 120.500 -0.009 0.000 2.831 21 R HA 0.587 4.927 4.340 -0.001 0.000 0.266 21 R C -1.289 174.991 176.300 -0.034 0.000 1.051 21 R CA -1.183 54.906 56.100 -0.019 0.000 0.943 21 R CB 2.010 32.239 30.300 -0.118 0.000 1.228 21 R HN 0.636 nan 8.270 nan 0.000 0.467 22 I N 0.318 120.876 120.570 -0.021 0.000 7.356 22 I HA -0.143 4.026 4.170 -0.001 0.000 0.126 22 I C -2.315 173.894 176.117 0.153 0.000 1.829 22 I CA -0.183 61.163 61.300 0.078 0.000 2.068 22 I CB -2.137 35.887 38.000 0.040 0.000 3.620 22 I HN 0.502 nan 8.210 nan 0.000 0.179 23 P HA 0.541 nan 4.420 nan 0.000 0.276 23 P C -0.416 177.067 177.300 0.307 0.000 1.244 23 P CA -0.171 63.076 63.100 0.245 0.000 0.801 23 P CB 2.173 34.032 31.700 0.265 0.000 1.006 24 A N 1.950 124.987 122.820 0.360 0.000 2.488 24 A HA 0.590 4.909 4.320 -0.001 0.000 0.295 24 A C -1.736 176.145 177.584 0.495 0.000 1.045 24 A CA -0.534 51.750 52.037 0.413 0.000 0.703 24 A CB 1.063 20.287 19.000 0.374 0.000 1.271 24 A HN 0.478 nan 8.150 nan 0.000 0.400 25 L N 2.199 123.703 121.223 0.467 0.000 2.365 25 L HA 0.896 5.236 4.340 -0.001 0.000 0.273 25 L C -1.488 175.645 176.870 0.438 0.000 1.000 25 L CA -0.763 54.346 54.840 0.449 0.000 0.819 25 L CB 1.761 44.064 42.059 0.408 0.000 1.284 25 L HN 0.727 nan 8.230 nan 0.000 0.418 26 L N 4.932 126.417 121.223 0.437 0.000 2.439 26 L HA 0.457 4.797 4.340 -0.001 0.000 0.270 26 L C -1.779 175.281 176.870 0.317 0.000 0.972 26 L CA -0.310 54.770 54.840 0.400 0.000 0.836 26 L CB 1.464 43.813 42.059 0.484 0.000 1.255 26 L HN 0.591 nan 8.230 nan 0.000 0.404 27 Y N 5.435 125.822 120.300 0.145 0.000 2.313 27 Y HA 0.583 5.132 4.550 -0.001 0.000 0.332 27 Y C -0.935 174.966 175.900 0.001 0.000 1.071 27 Y CA -0.673 57.461 58.100 0.057 0.000 1.169 27 Y CB 1.008 39.497 38.460 0.048 0.000 1.192 27 Y HN 0.548 nan 8.280 nan 0.000 0.487 28 L N 10.056 130.837 121.223 -0.738 0.000 2.297 28 L HA 0.292 4.631 4.340 -0.001 0.000 0.277 28 L C -1.492 174.797 176.870 -0.969 0.000 1.040 28 L CA -1.767 52.625 54.840 -0.747 0.000 0.867 28 L CB 1.256 42.886 42.059 -0.715 0.000 1.244 28 L HN 0.580 nan 8.230 nan 0.000 0.433 29 P HA -0.200 nan 4.420 nan 0.000 0.216 29 P C 1.416 178.570 177.300 -0.243 0.000 1.153 29 P CA 1.613 64.462 63.100 -0.418 0.000 0.858 29 P CB 0.321 32.006 31.700 -0.026 0.000 0.789 30 G N -0.496 108.191 108.800 -0.188 0.000 2.471 30 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.219 30 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.219 30 G C 1.609 176.409 174.900 -0.166 0.000 1.125 30 G CA 0.450 45.485 45.100 -0.109 0.000 0.775 30 G HN 0.266 nan 8.290 nan 0.000 0.548 31 Q N -0.731 118.884 119.800 -0.309 0.000 2.378 31 Q HA 0.113 4.453 4.340 -0.001 0.000 0.216 31 Q C 0.708 176.566 176.000 -0.236 0.000 0.892 31 Q CA 0.092 55.714 55.803 -0.302 0.000 0.931 31 Q CB 0.374 28.825 28.738 -0.480 0.000 1.086 31 Q HN 0.622 nan 8.270 nan 0.000 0.528 32 Q N 0.491 120.120 119.800 -0.286 0.000 2.468 32 Q HA -0.128 4.212 4.340 -0.001 0.000 0.289 32 Q C -0.787 175.173 176.000 -0.065 0.000 1.299 32 Q CA 0.408 56.156 55.803 -0.091 0.000 0.838 32 Q CB -1.445 27.328 28.738 0.060 0.000 1.195 32 Q HN 0.086 nan 8.270 nan 0.000 0.456 33 S N -0.353 115.185 115.700 -0.269 0.000 2.634 33 S HA 0.828 5.298 4.470 -0.001 0.000 0.296 33 S C -0.473 174.019 174.600 -0.179 0.000 1.104 33 S CA -0.805 57.262 58.200 -0.221 0.000 0.920 33 S CB 1.765 64.796 63.200 -0.282 0.000 1.111 33 S HN 0.288 nan 8.310 nan 0.000 0.493 34 L N 1.596 122.718 121.223 -0.168 0.000 2.354 34 L HA 0.622 4.961 4.340 -0.001 0.000 0.269 34 L C -1.289 175.591 176.870 0.017 0.000 1.005 34 L CA -0.675 54.156 54.840 -0.015 0.000 0.819 34 L CB 1.405 43.465 42.059 0.001 0.000 1.311 34 L HN 0.376 nan 8.230 nan 0.000 0.423 35 L N 2.624 123.934 121.223 0.144 0.000 2.319 35 L HA 0.670 5.009 4.340 -0.001 0.000 0.281 35 L C -0.216 176.730 176.870 0.127 0.000 1.005 35 L CA -0.536 54.349 54.840 0.075 0.000 0.828 35 L CB 1.773 43.880 42.059 0.079 0.000 1.227 35 L HN 0.657 nan 8.230 nan 0.000 0.415 36 A N 4.210 127.088 122.820 0.096 0.000 2.258 36 A HA 0.784 5.103 4.320 -0.001 0.000 0.316 36 A C -0.961 176.647 177.584 0.040 0.000 1.279 36 A CA -0.243 51.883 52.037 0.148 0.000 0.876 36 A CB 0.228 19.223 19.000 -0.008 0.000 1.170 36 A HN 0.516 nan 8.150 nan 0.000 0.520 37 F N 1.393 121.502 119.950 0.264 0.000 2.483 37 F HA 0.791 5.318 4.527 -0.001 0.000 0.329 37 F C 0.638 176.453 175.800 0.025 0.000 1.064 37 F CA 0.053 58.146 58.000 0.154 0.000 0.986 37 F CB 2.323 41.397 39.000 0.123 0.000 1.218 37 F HN 0.776 nan 8.300 nan 0.000 0.484 38 A N 0.855 123.700 122.820 0.041 0.000 2.608 38 A HA 0.533 4.852 4.320 -0.001 0.000 0.292 38 A C -1.535 175.975 177.584 -0.123 0.000 1.066 38 A CA -0.901 51.036 52.037 -0.166 0.000 0.676 38 A CB 1.105 19.685 19.000 -0.699 0.000 1.277 38 A HN 0.703 nan 8.150 nan 0.000 0.413 39 E N 1.009 121.149 120.200 -0.099 0.000 2.229 39 E HA 0.276 4.625 4.350 -0.001 0.000 0.283 39 E C -0.426 176.068 176.600 -0.176 0.000 1.030 39 E CA -0.218 56.115 56.400 -0.111 0.000 0.836 39 E CB 1.205 30.850 29.700 -0.091 0.000 1.068 39 E HN 0.518 nan 8.360 nan 0.000 0.401 40 Q N 4.788 124.456 119.800 -0.221 0.000 2.360 40 Q HA 0.176 4.516 4.340 -0.001 0.000 0.254 40 Q C -0.798 174.981 176.000 -0.368 0.000 0.975 40 Q CA -0.441 55.102 55.803 -0.434 0.000 0.912 40 Q CB 0.517 29.041 28.738 -0.357 0.000 1.212 40 Q HN 0.412 nan 8.270 nan 0.000 0.452 41 R N 2.225 122.510 120.500 -0.359 0.000 2.832 41 R HA 0.538 4.877 4.340 -0.001 0.000 0.271 41 R C 0.156 176.412 176.300 -0.074 0.000 0.996 41 R CA -0.274 55.723 56.100 -0.172 0.000 0.977 41 R CB 1.159 31.387 30.300 -0.120 0.000 1.168 41 R HN 0.661 nan 8.270 nan 0.000 0.482 42 A N 0.678 123.495 122.820 -0.005 0.000 2.066 42 A HA -0.027 4.292 4.320 -0.001 0.000 0.218 42 A C 0.784 178.366 177.584 -0.003 0.000 1.157 42 A CA 1.413 53.454 52.037 0.006 0.000 0.670 42 A CB -0.095 18.843 19.000 -0.104 0.000 0.804 42 A HN 0.760 nan 8.150 nan 0.000 0.453 43 S N -2.695 113.040 115.700 0.058 0.000 2.672 43 S HA 0.423 4.892 4.470 -0.001 0.000 0.271 43 S C 0.077 174.691 174.600 0.024 0.000 1.171 43 S CA -0.333 57.917 58.200 0.083 0.000 0.817 43 S CB 0.687 64.033 63.200 0.243 0.000 1.150 43 S HN 0.122 nan 8.310 nan 0.000 0.478 44 K N 0.391 120.784 120.400 -0.012 0.000 2.283 44 K HA 0.072 4.391 4.320 -0.001 0.000 0.202 44 K C 0.044 176.547 176.600 -0.162 0.000 1.048 44 K CA 0.666 56.900 56.287 -0.089 0.000 0.948 44 K CB -0.291 32.167 32.500 -0.071 0.000 0.742 44 K HN 0.409 nan 8.250 nan 0.000 0.458 45 K N 1.797 122.105 120.400 -0.154 0.000 2.448 45 K HA -0.038 4.281 4.320 -0.001 0.000 0.278 45 K C 0.257 176.723 176.600 -0.223 0.000 1.009 45 K CA -0.247 55.886 56.287 -0.256 0.000 0.995 45 K CB 0.629 32.853 32.500 -0.459 0.000 0.917 45 K HN -0.013 nan 8.250 nan 0.000 0.481 46 D N 2.546 122.823 120.400 -0.204 0.000 2.133 46 D HA -0.215 4.424 4.640 -0.001 0.000 0.195 46 D C 1.539 177.775 176.300 -0.106 0.000 0.997 46 D CA 1.442 55.355 54.000 -0.146 0.000 0.840 46 D CB 0.072 40.800 40.800 -0.121 0.000 0.947 46 D HN 0.682 nan 8.370 nan 0.000 0.452 47 E N 0.602 120.717 120.200 -0.142 0.000 2.472 47 E HA -0.181 4.169 4.350 -0.001 0.000 0.200 47 E C 0.685 177.324 176.600 0.066 0.000 1.046 47 E CA 0.781 57.140 56.400 -0.068 0.000 0.871 47 E CB -0.729 28.916 29.700 -0.091 0.000 0.806 47 E HN 0.574 nan 8.360 nan 0.000 0.533 48 H N 0.319 119.350 119.070 -0.066 0.000 2.520 48 H HA 0.405 4.961 4.556 -0.001 0.000 0.284 48 H C 0.650 175.933 175.328 -0.075 0.000 1.037 48 H CA -0.414 55.596 56.048 -0.063 0.000 1.168 48 H CB 0.685 30.409 29.762 -0.063 0.000 1.497 48 H HN 0.196 nan 8.280 nan 0.000 0.547 49 A N 0.987 123.825 122.820 0.031 0.000 2.448 49 A HA 0.051 4.370 4.320 -0.001 0.000 0.239 49 A C 0.532 178.096 177.584 -0.033 0.000 1.080 49 A CA 0.217 52.236 52.037 -0.030 0.000 0.779 49 A CB 0.643 19.622 19.000 -0.035 0.000 1.026 49 A HN 0.570 nan 8.150 nan 0.000 0.499 50 E N 0.089 120.244 120.200 -0.075 0.000 3.762 50 E HA 0.359 4.708 4.350 -0.001 0.000 0.198 50 E C -0.439 176.103 176.600 -0.097 0.000 1.298 50 E CA -0.339 56.014 56.400 -0.079 0.000 1.439 50 E CB 0.148 29.781 29.700 -0.112 0.000 2.030 50 E HN 0.582 nan 8.360 nan 0.000 0.547 51 L N 1.072 122.207 121.223 -0.146 0.000 2.257 51 L HA 0.581 4.920 4.340 -0.001 0.000 0.257 51 L C -0.669 176.099 176.870 -0.170 0.000 1.033 51 L CA -1.036 53.707 54.840 -0.162 0.000 0.835 51 L CB 1.808 43.772 42.059 -0.158 0.000 1.398 51 L HN 0.073 nan 8.230 nan 0.000 0.429 52 I N 1.419 121.875 120.570 -0.191 0.000 2.377 52 I HA 0.431 4.600 4.170 -0.001 0.000 0.293 52 I C -0.294 175.779 176.117 -0.074 0.000 0.987 52 I CA -0.827 60.387 61.300 -0.143 0.000 1.185 52 I CB 1.941 39.810 38.000 -0.218 0.000 1.341 52 I HN 0.264 nan 8.210 nan 0.000 0.455 53 V N 4.406 124.315 119.914 -0.009 0.000 3.096 53 V HA 0.782 4.901 4.120 -0.001 0.000 0.319 53 V C -0.822 175.338 176.094 0.109 0.000 1.103 53 V CA -0.796 61.538 62.300 0.056 0.000 1.016 53 V CB 2.121 34.015 31.823 0.117 0.000 1.090 53 V HN 0.621 nan 8.190 nan 0.000 0.449 54 L N 1.268 122.563 121.223 0.121 0.000 2.465 54 L HA 0.812 5.152 4.340 -0.001 0.000 0.257 54 L C -0.794 176.117 176.870 0.068 0.000 0.988 54 L CA -0.463 54.381 54.840 0.007 0.000 0.827 54 L CB 2.343 44.315 42.059 -0.145 0.000 1.397 54 L HN 0.868 nan 8.230 nan 0.000 0.410 55 R N 2.906 123.417 120.500 0.018 0.000 2.574 55 R HA 0.514 4.854 4.340 -0.001 0.000 0.288 55 R C -1.257 175.139 176.300 0.159 0.000 1.004 55 R CA -0.913 55.213 56.100 0.044 0.000 0.895 55 R CB 2.462 32.682 30.300 -0.134 0.000 1.191 55 R HN 0.595 nan 8.270 nan 0.000 0.444 56 R N 1.436 122.013 120.500 0.129 0.000 2.346 56 R HA 0.454 4.793 4.340 -0.001 0.000 0.311 56 R C -0.735 175.522 176.300 -0.072 0.000 0.983 56 R CA -0.317 55.808 56.100 0.042 0.000 0.880 56 R CB 1.639 31.918 30.300 -0.035 0.000 1.100 56 R HN 0.825 nan 8.270 nan 0.000 0.453 57 G N 2.951 111.454 108.800 -0.495 0.000 2.470 57 G HA2 0.300 4.259 3.960 -0.001 0.000 0.320 57 G HA3 0.300 4.259 3.960 -0.001 0.000 0.320 57 G C -1.179 173.293 174.900 -0.714 0.000 1.245 57 G CA -0.511 43.883 45.100 -1.178 0.000 0.935 57 G HN 0.575 nan 8.290 nan 0.000 0.476 58 D N 0.660 120.748 120.400 -0.520 0.000 2.256 58 D HA 0.191 4.831 4.640 -0.001 0.000 0.240 58 D C -0.810 175.358 176.300 -0.220 0.000 1.062 58 D CA -0.193 53.633 54.000 -0.291 0.000 0.832 58 D CB 2.279 42.954 40.800 -0.207 0.000 1.135 58 D HN 0.363 nan 8.370 nan 0.000 0.484 59 Y N 1.509 121.686 120.300 -0.205 0.000 2.377 59 Y HA 0.146 4.695 4.550 -0.001 0.000 0.330 59 Y C -0.170 175.676 175.900 -0.089 0.000 1.108 59 Y CA -0.123 57.906 58.100 -0.118 0.000 1.308 59 Y CB 0.798 39.243 38.460 -0.025 0.000 1.216 59 Y HN 0.208 nan 8.280 nan 0.000 0.518 60 D N 4.839 124.858 120.400 -0.634 0.000 2.427 60 D HA 0.426 5.065 4.640 -0.001 0.000 0.226 60 D C 0.514 176.443 176.300 -0.618 0.000 1.076 60 D CA 0.202 53.931 54.000 -0.450 0.000 0.849 60 D CB 1.337 41.944 40.800 -0.322 0.000 1.052 60 D HN 0.728 nan 8.370 nan 0.000 0.515 61 A N 5.082 127.727 122.820 -0.292 0.000 1.883 61 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 61 A C -0.383 177.160 177.584 -0.069 0.000 1.186 61 A CA 1.115 53.101 52.037 -0.085 0.000 0.624 61 A CB -1.379 17.674 19.000 0.088 0.000 0.822 61 A HN 0.583 nan 8.150 nan 0.000 0.444 62 P HA -0.144 nan 4.420 nan 0.000 0.216 62 P C 1.428 178.677 177.300 -0.085 0.000 1.153 62 P CA 2.184 65.251 63.100 -0.055 0.000 0.858 62 P CB -0.189 31.469 31.700 -0.069 0.000 0.789 63 T N -4.980 109.443 114.554 -0.217 0.000 3.069 63 T HA 0.013 4.362 4.350 -0.001 0.000 0.252 63 T C 0.549 174.782 174.700 -0.778 0.000 1.053 63 T CA -0.214 61.641 62.100 -0.409 0.000 0.964 63 T CB -1.126 67.545 68.868 -0.330 0.000 1.005 63 T HN 0.373 nan 8.240 nan 0.000 0.532 64 H N 1.265 120.180 119.070 -0.259 0.000 2.506 64 H HA -0.133 4.422 4.556 -0.001 0.000 0.323 64 H C -1.169 174.051 175.328 -0.180 0.000 1.076 64 H CA 0.500 56.395 56.048 -0.256 0.000 1.108 64 H CB -2.440 27.351 29.762 0.049 0.000 1.569 64 H HN 0.486 nan 8.280 nan 0.000 0.399 65 Q N 0.181 119.747 119.800 -0.390 0.000 2.416 65 Q HA 0.608 4.947 4.340 -0.001 0.000 0.281 65 Q C -0.318 175.566 176.000 -0.193 0.000 1.067 65 Q CA -1.027 54.678 55.803 -0.163 0.000 0.809 65 Q CB 3.279 31.916 28.738 -0.168 0.000 1.418 65 Q HN 0.192 nan 8.270 nan 0.000 0.411 66 V N 1.706 121.607 119.914 -0.021 0.000 2.398 66 V HA 0.304 4.424 4.120 -0.001 0.000 0.286 66 V C -0.215 175.694 176.094 -0.309 0.000 1.026 66 V CA -0.543 61.630 62.300 -0.212 0.000 0.868 66 V CB 1.643 33.281 31.823 -0.308 0.000 0.982 66 V HN 0.649 nan 8.190 nan 0.000 0.443 67 Q N 3.813 123.383 119.800 -0.383 0.000 2.307 67 Q HA 0.379 4.718 4.340 -0.001 0.000 0.262 67 Q C -1.691 174.082 176.000 -0.377 0.000 0.961 67 Q CA -0.544 55.106 55.803 -0.255 0.000 0.882 67 Q CB 1.161 29.803 28.738 -0.159 0.000 1.264 67 Q HN 0.707 nan 8.270 nan 0.000 0.446 68 W N 3.060 124.277 121.300 -0.137 0.000 2.390 68 W HA 0.332 4.991 4.660 -0.001 0.000 0.312 68 W C 0.078 176.513 176.519 -0.140 0.000 1.123 68 W CA -0.470 56.773 57.345 -0.170 0.000 1.202 68 W CB 1.034 30.356 29.460 -0.231 0.000 1.251 68 W HN 0.543 nan 8.180 nan 0.000 0.511 69 Q N 1.862 121.714 119.800 0.087 0.000 2.318 69 Q HA 0.563 4.902 4.340 -0.001 0.000 0.222 69 Q C 0.261 176.281 176.000 0.033 0.000 1.003 69 Q CA -0.774 55.047 55.803 0.031 0.000 0.936 69 Q CB 0.591 29.331 28.738 0.003 0.000 1.204 69 Q HN 0.594 nan 8.270 nan 0.000 0.524 70 A N 1.222 124.047 122.820 0.009 0.000 2.498 70 A HA 0.069 4.389 4.320 -0.001 0.000 0.239 70 A C -0.030 177.555 177.584 0.001 0.000 1.068 70 A CA -0.287 51.746 52.037 -0.006 0.000 0.766 70 A CB -0.033 18.969 19.000 0.003 0.000 1.003 70 A HN 0.669 nan 8.150 nan 0.000 0.497 71 Q N 1.203 120.992 119.800 -0.018 0.000 2.394 71 Q HA 0.462 4.802 4.340 -0.001 0.000 0.248 71 Q C -0.332 175.712 176.000 0.073 0.000 0.992 71 Q CA 0.100 55.926 55.803 0.037 0.000 0.888 71 Q CB 0.492 29.276 28.738 0.077 0.000 1.257 71 Q HN 0.767 nan 8.270 nan 0.000 0.462 72 E N 0.039 120.297 120.200 0.096 0.000 2.392 72 E HA 0.464 4.814 4.350 -0.001 0.000 0.279 72 E C -1.372 175.279 176.600 0.085 0.000 0.964 72 E CA -1.109 55.343 56.400 0.087 0.000 0.777 72 E CB 1.451 31.203 29.700 0.086 0.000 1.249 72 E HN 0.403 nan 8.360 nan 0.000 0.449 73 V N 1.726 121.674 119.914 0.057 0.000 2.614 73 V HA 0.065 4.185 4.120 -0.001 0.000 0.291 73 V C 0.218 176.311 176.094 -0.002 0.000 1.049 73 V CA -0.618 61.690 62.300 0.013 0.000 1.038 73 V CB 1.399 33.212 31.823 -0.017 0.000 0.980 73 V HN 0.577 nan 8.190 nan 0.000 0.481 74 V N 5.704 125.572 119.914 -0.077 0.000 2.153 74 V HA 0.129 4.249 4.120 -0.001 0.000 0.250 74 V C 1.502 177.476 176.094 -0.201 0.000 1.334 74 V CA 0.585 62.767 62.300 -0.198 0.000 1.249 74 V CB -0.220 31.335 31.823 -0.446 0.000 1.371 74 V HN 1.103 nan 8.190 nan 0.000 0.498 75 A N 3.061 125.836 122.820 -0.075 0.000 1.958 75 A HA -0.232 4.087 4.320 -0.001 0.000 0.221 75 A C 2.097 179.643 177.584 -0.063 0.000 1.178 75 A CA 1.610 53.617 52.037 -0.050 0.000 0.642 75 A CB -0.206 18.800 19.000 0.010 0.000 0.816 75 A HN 0.653 nan 8.150 nan 0.000 0.453 76 Q N -0.867 118.899 119.800 -0.057 0.000 2.378 76 Q HA 0.094 4.434 4.340 -0.001 0.000 0.205 76 Q C 1.187 177.137 176.000 -0.083 0.000 0.954 76 Q CA 0.874 56.665 55.803 -0.019 0.000 0.901 76 Q CB -0.414 28.375 28.738 0.085 0.000 0.981 76 Q HN 0.611 nan 8.270 nan 0.000 0.483 77 A N 2.454 125.101 122.820 -0.289 0.000 3.063 77 A HA 0.284 4.603 4.320 -0.001 0.000 0.263 77 A C 0.088 177.359 177.584 -0.522 0.000 1.736 77 A CA -0.207 51.482 52.037 -0.579 0.000 1.408 77 A CB -0.742 17.656 19.000 -1.004 0.000 1.108 77 A HN 0.302 nan 8.150 nan 0.000 0.621 78 R N -0.249 120.231 120.500 -0.034 0.000 2.753 78 R HA 0.630 4.969 4.340 -0.001 0.000 0.272 78 R C -2.109 174.270 176.300 0.131 0.000 1.034 78 R CA -0.973 55.177 56.100 0.083 0.000 0.869 78 R CB 0.713 31.001 30.300 -0.020 0.000 1.264 78 R HN 0.144 nan 8.270 nan 0.000 0.481 79 L N 1.390 122.676 121.223 0.104 0.000 2.346 79 L HA 0.421 4.760 4.340 -0.001 0.000 0.276 79 L C -0.708 176.195 176.870 0.056 0.000 1.006 79 L CA -1.348 53.484 54.840 -0.014 0.000 0.817 79 L CB 2.033 43.920 42.059 -0.287 0.000 1.272 79 L HN 0.621 nan 8.230 nan 0.000 0.421 80 D N 2.220 122.651 120.400 0.051 0.000 2.531 80 D HA 0.160 4.800 4.640 -0.001 0.000 0.239 80 D C 1.193 177.619 176.300 0.210 0.000 1.144 80 D CA 1.548 55.606 54.000 0.097 0.000 0.869 80 D CB 0.874 41.712 40.800 0.064 0.000 1.160 80 D HN 0.859 nan 8.370 nan 0.000 0.484 81 G N 1.690 110.586 108.800 0.160 0.000 2.189 81 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.267 81 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.267 81 G C 0.122 175.093 174.900 0.118 0.000 0.975 81 G CA 0.460 45.640 45.100 0.134 0.000 0.644 81 G HN 0.655 nan 8.290 nan 0.000 0.537 82 H N -0.359 118.728 119.070 0.028 0.000 2.573 82 H HA 0.700 5.255 4.556 -0.001 0.000 0.351 82 H C 0.646 175.993 175.328 0.032 0.000 1.163 82 H CA -0.334 55.736 56.048 0.036 0.000 1.205 82 H CB 0.961 30.758 29.762 0.057 0.000 1.605 82 H HN 0.578 nan 8.280 nan 0.000 0.525 83 R N 0.815 121.391 120.500 0.127 0.000 2.428 83 R HA 0.669 5.009 4.340 -0.001 0.000 0.294 83 R C -0.954 175.411 176.300 0.107 0.000 1.000 83 R CA -0.680 55.462 56.100 0.071 0.000 0.960 83 R CB 1.021 31.337 30.300 0.026 0.000 1.076 83 R HN 0.413 nan 8.270 nan 0.000 0.475 84 S N 4.270 120.005 115.700 0.058 0.000 2.489 84 S HA 0.579 5.048 4.470 -0.001 0.000 0.291 84 S C -0.145 174.479 174.600 0.040 0.000 1.151 84 S CA -0.854 57.398 58.200 0.087 0.000 1.082 84 S CB 1.204 64.335 63.200 -0.114 0.000 1.019 84 S HN 0.697 nan 8.310 nan 0.000 0.492 85 M N 0.924 120.595 119.600 0.117 0.000 2.813 85 M HA 0.573 5.052 4.480 -0.001 0.000 0.270 85 M C -1.182 175.192 176.300 0.124 0.000 1.267 85 M CA -0.785 54.556 55.300 0.069 0.000 0.822 85 M CB 1.244 33.865 32.600 0.034 0.000 1.671 85 M HN 0.544 nan 8.290 nan 0.000 0.468 86 N N 0.829 119.592 118.700 0.105 0.000 2.753 86 N HA -0.070 4.670 4.740 -0.001 0.000 0.252 86 N C -2.641 172.960 175.510 0.152 0.000 1.071 86 N CA 0.301 53.436 53.050 0.142 0.000 0.690 86 N CB -1.060 37.514 38.487 0.145 0.000 0.906 86 N HN 0.567 nan 8.380 nan 0.000 0.552 87 P HA 0.112 nan 4.420 nan 0.000 0.267 87 P C -0.276 177.068 177.300 0.075 0.000 1.205 87 P CA 0.118 63.238 63.100 0.034 0.000 0.765 87 P CB 0.661 32.344 31.700 -0.028 0.000 0.828 88 C N 6.219 125.570 119.300 0.085 0.000 2.801 88 C HA 0.347 4.806 4.460 -0.001 0.000 0.296 88 C C -2.106 173.004 174.990 0.201 0.000 1.054 88 C CA -1.589 57.533 59.018 0.173 0.000 1.442 88 C CB 1.289 29.166 27.740 0.227 0.000 1.860 88 C HN 0.500 nan 8.230 nan 0.000 0.459 89 P HA 0.570 nan 4.420 nan 0.000 0.281 89 P C -1.098 176.434 177.300 0.386 0.000 1.249 89 P CA -0.218 62.990 63.100 0.181 0.000 0.810 89 P CB 1.969 33.770 31.700 0.168 0.000 1.008 90 L N 2.846 124.340 121.223 0.451 0.000 2.526 90 L HA 0.475 4.814 4.340 -0.001 0.000 0.263 90 L C -2.079 175.135 176.870 0.574 0.000 0.943 90 L CA -1.016 54.123 54.840 0.498 0.000 0.859 90 L CB 1.649 44.017 42.059 0.515 0.000 1.313 90 L HN 0.271 nan 8.230 nan 0.000 0.406 91 Y N 3.775 124.298 120.300 0.371 0.000 2.328 91 Y HA 0.477 5.027 4.550 -0.001 0.000 0.337 91 Y C -0.476 175.615 175.900 0.317 0.000 0.966 91 Y CA -0.691 57.611 58.100 0.336 0.000 1.136 91 Y CB 1.113 39.727 38.460 0.258 0.000 1.170 91 Y HN 0.693 nan 8.280 nan 0.000 0.470 92 D N 5.100 125.390 120.400 -0.184 0.000 2.422 92 D HA 0.227 4.866 4.640 -0.001 0.000 0.227 92 D C 0.706 176.728 176.300 -0.464 0.000 1.190 92 D CA 0.295 54.229 54.000 -0.110 0.000 0.905 92 D CB 1.250 42.151 40.800 0.167 0.000 1.034 92 D HN 0.817 nan 8.370 nan 0.000 0.507 93 A N 3.776 126.448 122.820 -0.247 0.000 2.178 93 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 93 A C 1.839 179.382 177.584 -0.069 0.000 1.157 93 A CA 1.114 53.077 52.037 -0.124 0.000 0.689 93 A CB -0.167 18.892 19.000 0.098 0.000 0.787 93 A HN 0.665 nan 8.150 nan 0.000 0.465 94 Q N -1.032 118.724 119.800 -0.072 0.000 2.297 94 Q HA -0.065 4.274 4.340 -0.001 0.000 0.203 94 Q C 1.909 177.816 176.000 -0.156 0.000 0.931 94 Q CA 1.447 57.203 55.803 -0.078 0.000 0.885 94 Q CB 0.188 28.900 28.738 -0.044 0.000 0.991 94 Q HN 0.741 nan 8.270 nan 0.000 0.498 95 T N -4.808 109.626 114.554 -0.199 0.000 3.014 95 T HA 0.266 4.616 4.350 -0.001 0.000 0.250 95 T C 1.209 175.822 174.700 -0.145 0.000 1.060 95 T CA 0.596 62.585 62.100 -0.184 0.000 1.040 95 T CB 0.698 69.459 68.868 -0.178 0.000 0.971 95 T HN 0.379 nan 8.240 nan 0.000 0.497 96 G N 1.334 110.011 108.800 -0.205 0.000 2.147 96 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.244 96 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.244 96 G C 0.053 174.879 174.900 -0.123 0.000 1.005 96 G CA 0.255 45.269 45.100 -0.143 0.000 0.713 96 G HN 0.725 nan 8.290 nan 0.000 0.515 97 T N 0.647 115.084 114.554 -0.196 0.000 2.767 97 T HA 0.545 4.894 4.350 -0.001 0.000 0.288 97 T C -0.014 174.651 174.700 -0.058 0.000 0.963 97 T CA -0.358 61.639 62.100 -0.173 0.000 1.019 97 T CB 2.044 70.756 68.868 -0.259 0.000 0.923 97 T HN 0.590 nan 8.240 nan 0.000 0.468 98 L N 4.641 125.866 121.223 0.004 0.000 2.264 98 L HA 0.620 4.960 4.340 -0.001 0.000 0.289 98 L C -1.431 175.491 176.870 0.086 0.000 1.044 98 L CA -0.396 54.594 54.840 0.250 0.000 0.807 98 L CB -0.133 42.052 42.059 0.211 0.000 1.192 98 L HN 0.506 nan 8.230 nan 0.000 0.425 99 F N 5.616 125.687 119.950 0.201 0.000 2.443 99 F HA 0.552 5.078 4.527 -0.001 0.000 0.335 99 F C -0.386 175.369 175.800 -0.074 0.000 1.104 99 F CA -0.660 57.320 58.000 -0.033 0.000 1.013 99 F CB 1.816 40.619 39.000 -0.329 0.000 1.136 99 F HN 0.334 nan 8.300 nan 0.000 0.470 100 L N 4.957 126.185 121.223 0.009 0.000 2.345 100 L HA 0.567 4.906 4.340 -0.001 0.000 0.274 100 L C -1.588 175.219 176.870 -0.105 0.000 0.999 100 L CA -0.416 54.342 54.840 -0.135 0.000 0.849 100 L CB 0.003 41.833 42.059 -0.383 0.000 1.220 100 L HN 0.318 nan 8.230 nan 0.000 0.422 101 F N 5.816 125.858 119.950 0.153 0.000 2.379 101 F HA 0.743 5.269 4.527 -0.001 0.000 0.332 101 F C 0.125 176.034 175.800 0.181 0.000 1.096 101 F CA -0.182 57.867 58.000 0.081 0.000 1.105 101 F CB 1.252 40.224 39.000 -0.047 0.000 1.189 101 F HN 0.484 nan 8.300 nan 0.000 0.515 102 F N 0.762 120.780 119.950 0.112 0.000 2.807 102 F HA 0.716 5.243 4.527 -0.001 0.000 0.316 102 F C -1.713 174.116 175.800 0.047 0.000 1.162 102 F CA -1.984 56.041 58.000 0.041 0.000 0.910 102 F CB 0.978 39.959 39.000 -0.031 0.000 1.314 102 F HN 0.396 nan 8.300 nan 0.000 0.454 103 I N 0.661 121.313 120.570 0.137 0.000 2.562 103 I HA 0.973 5.142 4.170 -0.001 0.000 0.301 103 I C -0.932 175.270 176.117 0.141 0.000 1.003 103 I CA -1.164 60.141 61.300 0.007 0.000 1.127 103 I CB 1.933 39.890 38.000 -0.072 0.000 1.304 103 I HN 0.978 nan 8.210 nan 0.000 0.446 104 A N 6.823 129.697 122.820 0.089 0.000 2.330 104 A HA 0.847 5.166 4.320 -0.001 0.000 0.313 104 A C -0.784 176.957 177.584 0.263 0.000 1.124 104 A CA -0.603 51.562 52.037 0.214 0.000 0.774 104 A CB 0.965 20.066 19.000 0.169 0.000 1.198 104 A HN 0.731 nan 8.150 nan 0.000 0.465 105 I N 2.836 123.527 120.570 0.202 0.000 2.465 105 I HA 0.338 4.507 4.170 -0.001 0.000 0.291 105 I C -2.523 173.523 176.117 -0.119 0.000 1.014 105 I CA -2.499 58.844 61.300 0.072 0.000 1.093 105 I CB 2.625 40.626 38.000 0.001 0.000 1.267 105 I HN 0.365 nan 8.210 nan 0.000 0.431 106 P HA 0.023 nan 4.420 nan 0.000 0.264 106 P C 0.783 177.953 177.300 -0.216 0.000 1.193 106 P CA 0.743 63.530 63.100 -0.522 0.000 0.763 106 P CB 0.530 31.998 31.700 -0.388 0.000 0.810 107 G N 4.326 113.027 108.800 -0.165 0.000 2.698 107 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.346 107 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.346 107 G C 0.431 175.307 174.900 -0.040 0.000 1.287 107 G CA 0.639 45.695 45.100 -0.073 0.000 0.990 107 G HN 0.507 nan 8.290 nan 0.000 0.545 108 Q N -0.207 119.581 119.800 -0.021 0.000 2.189 108 Q HA 0.494 4.834 4.340 -0.001 0.000 0.221 108 Q C 0.535 176.524 176.000 -0.017 0.000 0.848 108 Q CA -0.128 55.679 55.803 0.005 0.000 1.007 108 Q CB 0.927 29.694 28.738 0.048 0.000 1.116 108 Q HN 0.462 nan 8.270 nan 0.000 0.481 109 V N 2.553 122.445 119.914 -0.038 0.000 2.475 109 V HA -0.025 4.095 4.120 -0.001 0.000 0.292 109 V C 0.944 177.012 176.094 -0.044 0.000 1.003 109 V CA 0.402 62.677 62.300 -0.041 0.000 1.120 109 V CB -0.486 31.308 31.823 -0.048 0.000 0.937 109 V HN 0.440 nan 8.190 nan 0.000 0.476 110 T N 1.914 116.440 114.554 -0.047 0.000 2.788 110 T HA 0.128 4.478 4.350 -0.001 0.000 0.287 110 T C 0.951 175.612 174.700 -0.065 0.000 1.007 110 T CA -0.019 62.046 62.100 -0.058 0.000 1.005 110 T CB 1.074 69.904 68.868 -0.063 0.000 1.012 110 T HN 0.666 nan 8.240 nan 0.000 0.530 111 Q N -0.071 119.686 119.800 -0.072 0.000 2.119 111 Q HA -0.146 4.193 4.340 -0.001 0.000 0.201 111 Q C 1.880 177.805 176.000 -0.126 0.000 0.972 111 Q CA 1.562 57.310 55.803 -0.092 0.000 0.847 111 Q CB -0.133 28.565 28.738 -0.066 0.000 0.903 111 Q HN 0.847 nan 8.270 nan 0.000 0.433 112 E N 0.539 120.677 120.200 -0.103 0.000 2.110 112 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 112 E C 1.948 178.493 176.600 -0.092 0.000 0.988 112 E CA 1.446 57.783 56.400 -0.104 0.000 0.804 112 E CB -0.060 29.595 29.700 -0.076 0.000 0.745 112 E HN 0.418 nan 8.360 nan 0.000 0.458 113 Q N 0.303 120.059 119.800 -0.073 0.000 2.050 113 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 113 Q C 2.226 178.191 176.000 -0.059 0.000 0.980 113 Q CA 1.483 57.253 55.803 -0.056 0.000 0.840 113 Q CB -0.058 28.654 28.738 -0.044 0.000 0.898 113 Q HN 0.368 nan 8.270 nan 0.000 0.424 114 Q N 0.012 119.770 119.800 -0.069 0.000 2.167 114 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 114 Q C 2.088 178.035 176.000 -0.088 0.000 0.970 114 Q CA 0.903 56.668 55.803 -0.063 0.000 0.855 114 Q CB 0.005 28.706 28.738 -0.062 0.000 0.911 114 Q HN 0.380 nan 8.270 nan 0.000 0.438 115 L N 0.273 121.409 121.223 -0.146 0.000 2.005 115 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 115 L C 2.426 179.234 176.870 -0.102 0.000 1.072 115 L CA 1.289 56.019 54.840 -0.184 0.000 0.744 115 L CB -0.436 41.449 42.059 -0.291 0.000 0.895 115 L HN 0.271 nan 8.230 nan 0.000 0.433 116 Q N -0.606 119.145 119.800 -0.082 0.000 2.170 116 Q HA -0.179 4.161 4.340 -0.001 0.000 0.203 116 Q C 1.933 177.914 176.000 -0.033 0.000 0.976 116 Q CA 1.999 57.772 55.803 -0.050 0.000 0.858 116 Q CB -0.132 28.580 28.738 -0.043 0.000 0.907 116 Q HN 0.620 nan 8.270 nan 0.000 0.433 117 T N -3.429 111.105 114.554 -0.032 0.000 3.086 117 T HA 0.205 4.554 4.350 -0.001 0.000 0.250 117 T C 0.475 175.168 174.700 -0.011 0.000 1.074 117 T CA -0.359 61.731 62.100 -0.017 0.000 0.988 117 T CB 0.196 69.057 68.868 -0.013 0.000 0.988 117 T HN 0.197 nan 8.240 nan 0.000 0.530 118 R N 0.267 120.756 120.500 -0.017 0.000 3.741 118 R HA -0.153 4.186 4.340 -0.001 0.000 0.292 118 R C -0.082 176.221 176.300 0.005 0.000 1.176 118 R CA 0.532 56.631 56.100 -0.002 0.000 0.794 118 R CB -2.197 28.107 30.300 0.008 0.000 1.213 118 R HN 0.656 nan 8.270 nan 0.000 0.494 119 A N 1.222 124.043 122.820 0.001 0.000 2.293 119 A HA 0.394 4.714 4.320 -0.001 0.000 0.312 119 A C -0.293 177.301 177.584 0.017 0.000 1.309 119 A CA -0.632 51.415 52.037 0.016 0.000 0.839 119 A CB 0.805 19.819 19.000 0.023 0.000 1.155 119 A HN 0.200 nan 8.150 nan 0.000 0.501 120 N N 2.050 120.750 118.700 0.000 0.000 2.470 120 N HA 0.271 5.010 4.740 -0.001 0.000 0.268 120 N C 0.378 175.978 175.510 0.150 0.000 1.136 120 N CA 0.243 53.279 53.050 -0.024 0.000 0.961 120 N CB 1.311 39.603 38.487 -0.324 0.000 1.067 120 N HN 0.729 nan 8.380 nan 0.000 0.468 121 V N 0.072 120.092 119.914 0.178 0.000 3.199 121 V HA 0.363 4.483 4.120 -0.001 0.000 0.331 121 V C 0.235 176.483 176.094 0.257 0.000 1.446 121 V CA -0.443 62.005 62.300 0.247 0.000 1.120 121 V CB -0.324 31.569 31.823 0.116 0.000 1.051 121 V HN 0.428 nan 8.190 nan 0.000 0.495 122 T N 3.337 118.044 114.554 0.256 0.000 2.856 122 T HA 0.549 4.899 4.350 -0.001 0.000 0.292 122 T C -0.088 174.830 174.700 0.362 0.000 0.980 122 T CA -0.221 61.946 62.100 0.111 0.000 1.091 122 T CB 1.094 69.743 68.868 -0.365 0.000 0.936 122 T HN 0.377 nan 8.240 nan 0.000 0.503 123 R N 2.023 122.661 120.500 0.230 0.000 2.514 123 R HA 0.448 4.788 4.340 -0.001 0.000 0.301 123 R C -0.965 175.444 176.300 0.182 0.000 0.962 123 R CA -1.029 55.212 56.100 0.235 0.000 0.882 123 R CB 1.917 32.248 30.300 0.053 0.000 1.143 123 R HN 0.388 nan 8.270 nan 0.000 0.452 124 L N 3.016 124.372 121.223 0.222 0.000 2.264 124 L HA 0.373 4.712 4.340 -0.001 0.000 0.289 124 L C -0.889 175.836 176.870 -0.241 0.000 1.044 124 L CA -0.028 54.829 54.840 0.028 0.000 0.807 124 L CB 0.653 42.678 42.059 -0.055 0.000 1.192 124 L HN 0.649 nan 8.230 nan 0.000 0.425 125 C N 3.558 122.559 119.300 -0.498 0.000 2.973 125 C HA 0.933 5.392 4.460 -0.001 0.000 0.329 125 C C -0.483 174.155 174.990 -0.587 0.000 1.327 125 C CA -0.672 57.946 59.018 -0.667 0.000 1.632 125 C CB 1.941 29.004 27.740 -1.128 0.000 2.098 125 C HN 0.907 nan 8.230 nan 0.000 0.469 126 Q N -0.049 119.574 119.800 -0.294 0.000 2.527 126 Q HA 0.769 5.108 4.340 -0.001 0.000 0.280 126 Q C -1.700 174.389 176.000 0.149 0.000 0.977 126 Q CA -0.706 55.090 55.803 -0.011 0.000 0.837 126 Q CB 1.618 30.365 28.738 0.016 0.000 1.454 126 Q HN 0.874 nan 8.270 nan 0.000 0.387 127 V N -1.656 118.366 119.914 0.180 0.000 2.925 127 V HA 0.941 5.060 4.120 -0.001 0.000 0.311 127 V C -0.445 175.814 176.094 0.275 0.000 1.104 127 V CA -0.045 62.388 62.300 0.220 0.000 0.954 127 V CB 1.496 33.427 31.823 0.180 0.000 1.022 127 V HN 1.076 nan 8.190 nan 0.000 0.427 128 T N -0.431 114.266 114.554 0.238 0.000 2.930 128 T HA 0.844 5.193 4.350 -0.001 0.000 0.290 128 T C -0.328 174.362 174.700 -0.016 0.000 1.052 128 T CA -0.485 61.626 62.100 0.018 0.000 1.017 128 T CB 1.780 70.460 68.868 -0.313 0.000 1.137 128 T HN 1.480 nan 8.240 nan 0.000 0.511 129 S N -0.219 115.301 115.700 -0.300 0.000 2.546 129 S HA 0.549 5.018 4.470 -0.001 0.000 0.272 129 S C 0.451 174.839 174.600 -0.354 0.000 1.140 129 S CA -0.177 57.726 58.200 -0.495 0.000 0.920 129 S CB 1.493 63.997 63.200 -1.160 0.000 1.083 129 S HN 1.137 nan 8.310 nan 0.000 0.476 130 T N -0.248 114.126 114.554 -0.299 0.000 3.092 130 T HA 0.251 4.600 4.350 -0.001 0.000 0.258 130 T C -0.024 174.486 174.700 -0.316 0.000 1.031 130 T CA 0.219 62.168 62.100 -0.251 0.000 0.925 130 T CB -0.372 68.387 68.868 -0.182 0.000 1.036 130 T HN 0.608 nan 8.240 nan 0.000 0.544 131 D N 0.049 120.235 120.400 -0.356 0.000 2.804 131 D HA 0.109 4.748 4.640 -0.001 0.000 0.308 131 D C -0.064 176.064 176.300 -0.286 0.000 1.371 131 D CA -0.820 52.976 54.000 -0.341 0.000 0.823 131 D CB -0.898 39.777 40.800 -0.209 0.000 1.126 131 D HN 0.278 nan 8.370 nan 0.000 0.467 132 H N 0.266 119.222 119.070 -0.191 0.000 2.770 132 H HA -0.114 4.441 4.556 -0.001 0.000 0.309 132 H C 1.516 176.718 175.328 -0.210 0.000 1.206 132 H CA 1.134 57.072 56.048 -0.184 0.000 1.147 132 H CB -1.615 28.055 29.762 -0.153 0.000 1.422 132 H HN 0.740 nan 8.280 nan 0.000 0.420 133 G N -0.574 108.005 108.800 -0.369 0.000 2.175 133 G HA2 -0.421 3.538 3.960 -0.001 0.000 0.244 133 G HA3 -0.421 3.538 3.960 -0.001 0.000 0.244 133 G C 1.184 175.960 174.900 -0.205 0.000 0.982 133 G CA 0.960 45.850 45.100 -0.351 0.000 0.641 133 G HN 0.636 nan 8.290 nan 0.000 0.527 134 R N 0.970 121.344 120.500 -0.209 0.000 2.066 134 R HA 0.112 4.452 4.340 -0.001 0.000 0.232 134 R C 1.290 177.533 176.300 -0.095 0.000 1.131 134 R CA 2.196 58.240 56.100 -0.094 0.000 0.955 134 R CB -0.155 30.096 30.300 -0.082 0.000 0.851 134 R HN 0.725 nan 8.270 nan 0.000 0.432 135 T N -3.043 111.367 114.554 -0.239 0.000 2.909 135 T HA 0.491 4.840 4.350 -0.001 0.000 0.299 135 T C -1.300 173.214 174.700 -0.311 0.000 1.073 135 T CA -0.945 61.076 62.100 -0.132 0.000 0.999 135 T CB 1.389 70.216 68.868 -0.068 0.000 1.098 135 T HN 0.230 nan 8.240 nan 0.000 0.477 136 W N 1.289 122.598 121.300 0.014 0.000 2.781 136 W HA 0.641 5.301 4.660 -0.001 0.000 0.345 136 W C 0.749 177.269 176.519 0.002 0.000 1.085 136 W CA -0.724 56.627 57.345 0.010 0.000 1.198 136 W CB 1.931 31.407 29.460 0.027 0.000 1.423 136 W HN 1.008 nan 8.180 nan 0.000 0.532 137 S N 0.423 116.270 115.700 0.246 0.000 2.626 137 S HA 0.456 4.926 4.470 -0.001 0.000 0.257 137 S C 0.246 174.937 174.600 0.151 0.000 1.288 137 S CA -0.746 57.537 58.200 0.139 0.000 0.980 137 S CB 0.559 63.812 63.200 0.088 0.000 0.975 137 S HN 0.351 nan 8.310 nan 0.000 0.577 138 S N 2.954 118.714 115.700 0.101 0.000 2.585 138 S HA 0.347 4.817 4.470 -0.001 0.000 0.273 138 S C -2.148 172.512 174.600 0.101 0.000 1.339 138 S CA -0.803 57.450 58.200 0.089 0.000 1.028 138 S CB -0.018 63.219 63.200 0.061 0.000 0.906 138 S HN 0.694 nan 8.310 nan 0.000 0.528 139 P HA 0.130 nan 4.420 nan 0.000 0.271 139 P C -0.839 176.501 177.300 0.067 0.000 1.218 139 P CA -0.251 62.923 63.100 0.124 0.000 0.780 139 P CB 0.505 32.303 31.700 0.164 0.000 0.901 140 R N 2.181 122.710 120.500 0.048 0.000 2.393 140 R HA 0.219 4.559 4.340 -0.001 0.000 0.315 140 R C -0.696 175.579 176.300 -0.042 0.000 0.952 140 R CA -0.570 55.544 56.100 0.023 0.000 0.842 140 R CB 0.695 31.036 30.300 0.068 0.000 1.163 140 R HN 0.344 nan 8.270 nan 0.000 0.450 141 D N 5.585 125.951 120.400 -0.057 0.000 2.365 141 D HA 0.069 4.708 4.640 -0.001 0.000 0.237 141 D C 0.782 177.028 176.300 -0.090 0.000 1.190 141 D CA -0.137 53.801 54.000 -0.103 0.000 0.867 141 D CB 0.962 41.702 40.800 -0.100 0.000 1.050 141 D HN 0.625 nan 8.370 nan 0.000 0.491 142 L N 2.837 123.981 121.223 -0.132 0.000 2.591 142 L HA -0.021 4.319 4.340 -0.001 0.000 0.228 142 L C 2.177 178.949 176.870 -0.164 0.000 1.133 142 L CA 0.091 54.840 54.840 -0.150 0.000 0.880 142 L CB -0.205 41.675 42.059 -0.300 0.000 1.033 142 L HN 0.332 nan 8.230 nan 0.000 0.450 143 T N -0.055 114.417 114.554 -0.138 0.000 2.592 143 T HA -0.255 4.095 4.350 -0.001 0.000 0.267 143 T C 1.370 175.993 174.700 -0.128 0.000 1.060 143 T CA 2.095 64.123 62.100 -0.121 0.000 1.167 143 T CB -0.234 68.559 68.868 -0.125 0.000 0.863 143 T HN 0.344 nan 8.240 nan 0.000 0.431 144 D N 1.094 121.419 120.400 -0.124 0.000 2.123 144 D HA -0.022 4.618 4.640 -0.001 0.000 0.196 144 D C 2.299 178.571 176.300 -0.046 0.000 0.992 144 D CA 1.376 55.318 54.000 -0.097 0.000 0.833 144 D CB -0.549 40.204 40.800 -0.078 0.000 0.954 144 D HN 0.454 nan 8.370 nan 0.000 0.455 145 A N 0.178 122.985 122.820 -0.021 0.000 1.968 145 A HA 0.189 4.508 4.320 -0.001 0.000 0.217 145 A C 2.124 179.751 177.584 0.072 0.000 1.169 145 A CA 1.771 53.831 52.037 0.038 0.000 0.638 145 A CB -0.209 18.842 19.000 0.084 0.000 0.812 145 A HN 0.237 nan 8.150 nan 0.000 0.446 146 A N -1.182 121.641 122.820 0.006 0.000 2.085 146 A HA 0.420 4.739 4.320 -0.001 0.000 0.208 146 A C 1.839 179.513 177.584 0.150 0.000 1.191 146 A CA 0.796 52.862 52.037 0.049 0.000 0.799 146 A CB -0.056 18.741 19.000 -0.340 0.000 0.877 146 A HN 0.393 nan 8.150 nan 0.000 0.473 147 I N -2.034 118.553 120.570 0.028 0.000 3.565 147 I HA 0.213 4.383 4.170 -0.001 0.000 0.287 147 I C 2.079 178.127 176.117 -0.113 0.000 1.193 147 I CA 0.557 61.833 61.300 -0.040 0.000 1.402 147 I CB -0.549 37.390 38.000 -0.102 0.000 1.284 147 I HN 0.389 nan 8.210 nan 0.000 0.454 148 G N 3.001 111.754 108.800 -0.078 0.000 2.700 148 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.350 148 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.350 148 G C -1.099 173.750 174.900 -0.084 0.000 1.250 148 G CA 1.071 46.126 45.100 -0.074 0.000 0.978 148 G HN 0.210 nan 8.290 nan 0.000 0.551 149 P HA 0.045 nan 4.420 nan 0.000 0.218 149 P C 1.923 179.130 177.300 -0.154 0.000 1.146 149 P CA 2.741 65.791 63.100 -0.083 0.000 0.813 149 P CB -0.296 31.370 31.700 -0.057 0.000 0.778 150 A N -2.343 120.311 122.820 -0.277 0.000 2.167 150 A HA -0.133 4.186 4.320 -0.001 0.000 0.214 150 A C 1.994 179.073 177.584 -0.840 0.000 1.151 150 A CA 0.459 52.162 52.037 -0.557 0.000 0.735 150 A CB -1.539 17.035 19.000 -0.709 0.000 0.802 150 A HN 0.098 nan 8.150 nan 0.000 0.467 151 Y N 1.850 121.775 120.300 -0.624 0.000 2.114 151 Y HA -0.336 4.213 4.550 -0.001 0.000 0.282 151 Y C 2.475 178.226 175.900 -0.249 0.000 1.165 151 Y CA 2.507 60.340 58.100 -0.444 0.000 1.148 151 Y CB -0.163 38.175 38.460 -0.203 0.000 0.972 151 Y HN 0.504 nan 8.280 nan 0.000 0.504 152 R N 0.020 120.461 120.500 -0.098 0.000 2.316 152 R HA -0.037 4.303 4.340 -0.001 0.000 0.202 152 R C 1.343 177.585 176.300 -0.097 0.000 1.029 152 R CA 1.464 57.526 56.100 -0.063 0.000 1.018 152 R CB -0.464 29.841 30.300 0.007 0.000 0.888 152 R HN 0.386 nan 8.270 nan 0.000 0.471 153 E N -0.182 119.897 120.200 -0.202 0.000 2.442 153 E HA 0.017 4.366 4.350 -0.001 0.000 0.195 153 E C -0.558 176.145 176.600 0.172 0.000 1.030 153 E CA 0.071 56.424 56.400 -0.079 0.000 0.869 153 E CB 0.264 29.885 29.700 -0.131 0.000 0.857 153 E HN 0.276 nan 8.360 nan 0.000 0.505 154 W N -0.241 121.022 121.300 -0.061 0.000 2.666 154 W HA 0.308 4.967 4.660 -0.001 0.000 0.334 154 W C 0.884 177.376 176.519 -0.045 0.000 1.051 154 W CA -1.519 55.810 57.345 -0.027 0.000 1.224 154 W CB 1.076 30.547 29.460 0.018 0.000 1.405 154 W HN -0.234 nan 8.180 nan 0.000 0.513 155 S N 0.666 116.510 115.700 0.240 0.000 2.406 155 S HA -0.007 4.462 4.470 -0.001 0.000 0.228 155 S C 0.650 175.301 174.600 0.086 0.000 1.020 155 S CA 1.315 59.575 58.200 0.100 0.000 0.965 155 S CB 0.196 63.419 63.200 0.038 0.000 0.798 155 S HN 0.582 nan 8.310 nan 0.000 0.488 156 T N -0.466 114.212 114.554 0.206 0.000 2.676 156 T HA 0.508 4.858 4.350 -0.001 0.000 0.308 156 T C -2.158 172.736 174.700 0.323 0.000 1.740 156 T CA -0.759 61.446 62.100 0.175 0.000 0.982 156 T CB 0.531 69.394 68.868 -0.009 0.000 1.724 156 T HN 0.222 nan 8.240 nan 0.000 0.497 157 F N -0.410 119.581 119.950 0.068 0.000 2.877 157 F HA 0.950 5.476 4.527 -0.001 0.000 0.319 157 F C -1.315 174.357 175.800 -0.213 0.000 1.174 157 F CA -0.556 57.364 58.000 -0.133 0.000 0.903 157 F CB 0.794 39.794 39.000 -0.001 0.000 1.357 157 F HN 1.028 nan 8.300 nan 0.000 0.472 158 A N 0.314 122.961 122.820 -0.289 0.000 2.566 158 A HA 0.765 5.084 4.320 -0.001 0.000 0.290 158 A C -1.686 175.890 177.584 -0.013 0.000 1.071 158 A CA -0.272 51.636 52.037 -0.215 0.000 0.658 158 A CB 1.107 19.957 19.000 -0.250 0.000 1.285 158 A HN 2.113 nan 8.150 nan 0.000 0.427 159 V N -0.984 118.985 119.914 0.090 0.000 2.715 159 V HA 0.934 5.053 4.120 -0.001 0.000 0.310 159 V C 0.978 177.141 176.094 0.115 0.000 1.054 159 V CA 0.300 62.651 62.300 0.085 0.000 0.928 159 V CB 0.506 32.371 31.823 0.071 0.000 1.007 159 V HN 2.945 nan 8.190 nan 0.000 0.437 160 G N 3.437 112.286 108.800 0.082 0.000 2.611 160 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.301 160 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.301 160 G C -1.917 173.081 174.900 0.163 0.000 1.233 160 G CA 0.315 45.474 45.100 0.099 0.000 0.993 160 G HN 1.028 nan 8.290 nan 0.000 0.553 161 P HA 0.499 nan 4.420 nan 0.000 0.274 161 P C 0.542 177.943 177.300 0.168 0.000 1.256 161 P CA 1.592 64.809 63.100 0.195 0.000 0.795 161 P CB 0.869 32.730 31.700 0.269 0.000 1.038 162 G N -0.570 108.348 108.800 0.198 0.000 2.479 162 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.686 162 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.686 162 G C -0.466 174.563 174.900 0.215 0.000 1.295 162 G CA -0.535 44.708 45.100 0.237 0.000 0.922 162 G HN 1.048 nan 8.290 nan 0.000 0.582 163 H N -0.849 118.366 119.070 0.242 0.000 2.929 163 H HA 0.476 5.031 4.556 -0.001 0.000 0.358 163 H C 0.752 176.219 175.328 0.231 0.000 1.111 163 H CA 0.703 56.907 56.048 0.260 0.000 1.409 163 H CB 0.011 29.944 29.762 0.285 0.000 1.373 163 H HN 0.718 nan 8.280 nan 0.000 0.610 164 C N 2.112 121.551 119.300 0.232 0.000 2.589 164 C HA 0.619 5.078 4.460 -0.001 0.000 0.409 164 C C 0.446 175.571 174.990 0.226 0.000 1.851 164 C CA -0.657 58.452 59.018 0.152 0.000 1.823 164 C CB 0.892 28.774 27.740 0.237 0.000 1.985 164 C HN 0.794 nan 8.230 nan 0.000 0.472 165 L N 0.858 122.197 121.223 0.192 0.000 2.422 165 L HA 0.529 4.868 4.340 -0.001 0.000 0.264 165 L C -0.859 176.117 176.870 0.176 0.000 0.984 165 L CA -0.003 54.963 54.840 0.211 0.000 0.819 165 L CB 1.700 43.862 42.059 0.173 0.000 1.330 165 L HN 0.793 nan 8.230 nan 0.000 0.410 166 Q N 3.947 123.855 119.800 0.181 0.000 2.325 166 Q HA 0.589 4.929 4.340 -0.001 0.000 0.270 166 Q C -1.555 174.518 176.000 0.121 0.000 1.020 166 Q CA -0.646 55.239 55.803 0.136 0.000 0.785 166 Q CB 1.420 30.251 28.738 0.154 0.000 1.259 166 Q HN 0.775 nan 8.270 nan 0.000 0.452 167 L N 2.805 124.080 121.223 0.087 0.000 2.475 167 L HA 0.278 4.617 4.340 -0.001 0.000 0.253 167 L C 0.302 177.216 176.870 0.073 0.000 1.198 167 L CA -0.372 54.515 54.840 0.079 0.000 0.814 167 L CB 0.381 42.475 42.059 0.059 0.000 1.134 167 L HN 0.732 nan 8.230 nan 0.000 0.478 168 N N -0.233 118.506 118.700 0.065 0.000 2.376 168 N HA 0.023 4.763 4.740 -0.001 0.000 0.249 168 N C -0.702 174.831 175.510 0.040 0.000 1.140 168 N CA -0.289 52.796 53.050 0.058 0.000 0.870 168 N CB -0.047 38.475 38.487 0.059 0.000 1.124 168 N HN 0.534 nan 8.380 nan 0.000 0.505 169 D N -1.041 119.379 120.400 0.033 0.000 2.433 169 D HA 0.084 4.723 4.640 -0.001 0.000 0.255 169 D C 1.305 177.614 176.300 0.014 0.000 1.226 169 D CA -0.470 53.539 54.000 0.015 0.000 1.015 169 D CB 1.028 41.832 40.800 0.008 0.000 1.091 169 D HN -0.184 nan 8.370 nan 0.000 0.527 170 R N 0.223 120.723 120.500 -0.001 0.000 2.097 170 R HA -0.101 4.238 4.340 -0.001 0.000 0.236 170 R C 2.029 178.335 176.300 0.010 0.000 1.135 170 R CA 2.415 58.516 56.100 0.002 0.000 0.934 170 R CB -1.107 29.184 30.300 -0.015 0.000 0.846 170 R HN 0.611 nan 8.270 nan 0.000 0.431 171 A N 0.105 122.917 122.820 -0.013 0.000 2.235 171 A HA 0.076 4.395 4.320 -0.001 0.000 0.208 171 A C -0.182 177.356 177.584 -0.077 0.000 1.172 171 A CA 0.166 52.180 52.037 -0.038 0.000 0.786 171 A CB -0.076 18.885 19.000 -0.066 0.000 0.804 171 A HN 0.298 nan 8.150 nan 0.000 0.479 172 R N 0.090 120.588 120.500 -0.004 0.000 3.251 172 R HA -0.118 4.222 4.340 -0.001 0.000 0.249 172 R C -0.256 176.005 176.300 -0.065 0.000 0.949 172 R CA 0.886 56.998 56.100 0.021 0.000 0.645 172 R CB -3.128 27.249 30.300 0.127 0.000 1.065 172 R HN 0.522 nan 8.270 nan 0.000 0.452 173 S N 0.613 116.282 115.700 -0.051 0.000 2.566 173 S HA 0.228 4.698 4.470 -0.001 0.000 0.280 173 S C 1.157 175.700 174.600 -0.096 0.000 1.343 173 S CA -0.303 57.836 58.200 -0.100 0.000 1.036 173 S CB 0.885 64.105 63.200 0.034 0.000 0.866 173 S HN 0.280 nan 8.310 nan 0.000 0.526 174 L N 2.498 123.607 121.223 -0.190 0.000 2.295 174 L HA 0.556 4.895 4.340 -0.001 0.000 0.285 174 L C -0.784 176.076 176.870 -0.017 0.000 1.035 174 L CA -0.783 54.008 54.840 -0.082 0.000 0.806 174 L CB 1.095 43.072 42.059 -0.138 0.000 1.214 174 L HN 0.302 nan 8.230 nan 0.000 0.426 175 V N 4.055 124.011 119.914 0.070 0.000 2.444 175 V HA 0.369 4.489 4.120 -0.001 0.000 0.294 175 V C -0.136 175.999 176.094 0.067 0.000 1.022 175 V CA -0.623 61.728 62.300 0.084 0.000 0.850 175 V CB 2.146 34.018 31.823 0.083 0.000 0.992 175 V HN 0.442 nan 8.190 nan 0.000 0.426 176 V N 7.509 127.439 119.914 0.028 0.000 2.334 176 V HA 0.398 4.518 4.120 -0.001 0.000 0.281 176 V C -2.078 173.946 176.094 -0.118 0.000 1.016 176 V CA -1.799 60.442 62.300 -0.098 0.000 0.832 176 V CB 1.898 33.494 31.823 -0.380 0.000 0.999 176 V HN 0.712 nan 8.190 nan 0.000 0.439 177 P HA 0.501 nan 4.420 nan 0.000 0.271 177 P C -0.519 176.622 177.300 -0.265 0.000 1.218 177 P CA 0.191 63.167 63.100 -0.206 0.000 0.780 177 P CB 1.941 33.559 31.700 -0.136 0.000 0.901 178 A N 2.671 125.200 122.820 -0.485 0.000 2.515 178 A HA 0.838 5.157 4.320 -0.001 0.000 0.299 178 A C -1.841 175.520 177.584 -0.371 0.000 1.179 178 A CA -0.585 51.160 52.037 -0.486 0.000 0.656 178 A CB 1.104 19.605 19.000 -0.830 0.000 1.306 178 A HN 0.664 nan 8.150 nan 0.000 0.459 179 Y N -3.240 116.916 120.300 -0.239 0.000 2.604 179 Y HA 0.831 5.380 4.550 -0.001 0.000 0.331 179 Y C -0.705 175.252 175.900 0.095 0.000 1.158 179 Y CA -0.675 57.432 58.100 0.012 0.000 1.056 179 Y CB 0.898 39.299 38.460 -0.098 0.000 1.330 179 Y HN 1.782 nan 8.280 nan 0.000 0.457 180 A N 1.536 124.344 122.820 -0.020 0.000 2.549 180 A HA 0.683 5.003 4.320 -0.001 0.000 0.297 180 A C -2.452 174.927 177.584 -0.342 0.000 1.061 180 A CA -0.918 50.904 52.037 -0.358 0.000 0.690 180 A CB 0.986 19.232 19.000 -1.257 0.000 1.287 180 A HN 0.749 nan 8.150 nan 0.000 0.402 181 Y N 1.688 121.903 120.300 -0.142 0.000 2.504 181 Y HA 0.349 4.899 4.550 -0.001 0.000 0.351 181 Y C 0.957 176.802 175.900 -0.091 0.000 0.988 181 Y CA 0.427 58.481 58.100 -0.077 0.000 1.239 181 Y CB 0.614 39.076 38.460 0.004 0.000 1.128 181 Y HN 0.563 nan 8.280 nan 0.000 0.525 182 R N 3.069 123.519 120.500 -0.082 0.000 2.340 182 R HA 0.237 4.576 4.340 -0.001 0.000 0.300 182 R C -0.366 175.958 176.300 0.040 0.000 1.069 182 R CA -0.644 55.427 56.100 -0.048 0.000 0.984 182 R CB 0.683 30.808 30.300 -0.292 0.000 1.003 182 R HN 0.489 nan 8.270 nan 0.000 0.459 183 K N 3.861 124.317 120.400 0.093 0.000 2.171 183 K HA 0.089 4.409 4.320 -0.001 0.000 0.274 183 K C 0.481 177.110 176.600 0.049 0.000 1.110 183 K CA 0.021 56.351 56.287 0.071 0.000 0.952 183 K CB 0.427 32.968 32.500 0.068 0.000 1.309 183 K HN 0.483 nan 8.250 nan 0.000 0.414 184 L N 0.607 121.859 121.223 0.047 0.000 2.425 184 L HA 0.135 4.474 4.340 -0.001 0.000 0.215 184 L C 0.625 177.556 176.870 0.102 0.000 1.065 184 L CA 0.145 55.015 54.840 0.050 0.000 0.842 184 L CB 0.087 42.159 42.059 0.023 0.000 1.033 184 L HN 0.536 nan 8.230 nan 0.000 0.474 185 H N -0.560 118.508 119.070 -0.003 0.000 2.622 185 H HA 0.296 4.851 4.556 -0.001 0.000 0.363 185 H C -1.976 173.353 175.328 0.002 0.000 1.151 185 H CA -1.725 54.322 56.048 -0.001 0.000 1.184 185 H CB 2.057 31.818 29.762 -0.003 0.000 1.643 185 H HN -0.280 nan 8.280 nan 0.000 0.531 186 P HA -0.001 nan 4.420 nan 0.000 0.221 186 P C 0.513 177.754 177.300 -0.098 0.000 1.150 186 P CA 1.242 64.204 63.100 -0.230 0.000 0.800 186 P CB 0.609 32.135 31.700 -0.290 0.000 0.787 187 I N -2.946 117.618 120.570 -0.009 0.000 3.443 187 I HA 0.070 4.239 4.170 -0.001 0.000 0.277 187 I C 0.940 177.185 176.117 0.212 0.000 1.169 187 I CA -0.154 61.236 61.300 0.151 0.000 1.419 187 I CB -0.242 37.867 38.000 0.183 0.000 1.331 187 I HN -0.240 nan 8.210 nan 0.000 0.458 188 Q N 2.602 122.633 119.800 0.385 0.000 2.349 188 Q HA 0.031 4.370 4.340 -0.001 0.000 0.287 188 Q C 0.080 176.137 176.000 0.095 0.000 1.044 188 Q CA 0.114 55.993 55.803 0.127 0.000 0.918 188 Q CB 0.563 29.277 28.738 -0.041 0.000 1.242 188 Q HN 0.238 nan 8.270 nan 0.000 0.405 189 R N 2.902 123.430 120.500 0.047 0.000 2.537 189 R HA 0.281 4.621 4.340 -0.001 0.000 0.280 189 R C -2.301 174.032 176.300 0.056 0.000 1.058 189 R CA -1.477 54.647 56.100 0.041 0.000 1.057 189 R CB -0.366 29.946 30.300 0.021 0.000 0.973 189 R HN 0.275 nan 8.270 nan 0.000 0.438 190 P HA -0.031 nan 4.420 nan 0.000 0.264 190 P C -0.601 176.780 177.300 0.135 0.000 1.183 190 P CA 0.379 63.539 63.100 0.100 0.000 0.763 190 P CB 0.471 32.247 31.700 0.127 0.000 0.807 191 I N 5.758 126.353 120.570 0.041 0.000 2.377 191 I HA 0.308 4.478 4.170 -0.001 0.000 0.293 191 I C -1.994 174.022 176.117 -0.170 0.000 0.987 191 I CA -2.643 58.636 61.300 -0.035 0.000 1.185 191 I CB 2.087 40.043 38.000 -0.074 0.000 1.341 191 I HN 0.185 nan 8.210 nan 0.000 0.455 192 P HA 0.231 nan 4.420 nan 0.000 0.278 192 P C -1.005 176.120 177.300 -0.292 0.000 1.238 192 P CA -0.332 62.459 63.100 -0.516 0.000 0.794 192 P CB 1.475 32.630 31.700 -0.909 0.000 0.955 193 S N 0.422 115.992 115.700 -0.216 0.000 2.540 193 S HA 0.623 5.092 4.470 -0.001 0.000 0.275 193 S C -0.481 174.250 174.600 0.217 0.000 1.123 193 S CA -0.521 57.645 58.200 -0.056 0.000 0.907 193 S CB 1.679 64.784 63.200 -0.159 0.000 1.081 193 S HN 0.652 nan 8.310 nan 0.000 0.476 194 A N 2.123 125.039 122.820 0.162 0.000 2.304 194 A HA 0.943 5.262 4.320 -0.001 0.000 0.271 194 A C -0.431 177.292 177.584 0.231 0.000 1.091 194 A CA -0.238 51.876 52.037 0.129 0.000 0.812 194 A CB -0.096 18.844 19.000 -0.099 0.000 1.056 194 A HN 1.210 nan 8.150 nan 0.000 0.489 195 F N -1.913 117.931 119.950 -0.177 0.000 2.900 195 F HA 0.585 5.112 4.527 -0.001 0.000 0.321 195 F C -1.380 174.259 175.800 -0.269 0.000 1.160 195 F CA -1.432 56.403 58.000 -0.275 0.000 0.890 195 F CB 0.362 39.031 39.000 -0.552 0.000 1.334 195 F HN 0.552 nan 8.300 nan 0.000 0.459 196 C N 1.647 120.805 119.300 -0.238 0.000 2.498 196 C HA 0.708 5.167 4.460 -0.001 0.000 0.316 196 C C -0.754 174.139 174.990 -0.162 0.000 1.209 196 C CA -0.601 58.249 59.018 -0.280 0.000 1.518 196 C CB 1.010 28.771 27.740 0.036 0.000 2.147 196 C HN 0.618 nan 8.230 nan 0.000 0.483 197 F N 2.617 122.504 119.950 -0.105 0.000 2.399 197 F HA 0.631 5.157 4.527 -0.001 0.000 0.342 197 F C 0.363 176.262 175.800 0.165 0.000 1.106 197 F CA -0.128 57.915 58.000 0.072 0.000 1.196 197 F CB 0.559 39.483 39.000 -0.127 0.000 1.163 197 F HN 0.217 nan 8.300 nan 0.000 0.547 198 L N 2.388 123.837 121.223 0.378 0.000 2.386 198 L HA 0.534 4.873 4.340 -0.001 0.000 0.271 198 L C -0.452 176.226 176.870 -0.319 0.000 0.993 198 L CA -0.645 54.205 54.840 0.017 0.000 0.819 198 L CB 2.102 44.078 42.059 -0.137 0.000 1.294 198 L HN 0.509 nan 8.230 nan 0.000 0.414 199 S N 0.164 115.414 115.700 -0.750 0.000 2.561 199 S HA 0.464 4.933 4.470 -0.001 0.000 0.303 199 S C -0.095 174.000 174.600 -0.842 0.000 1.110 199 S CA -0.573 56.984 58.200 -1.073 0.000 1.034 199 S CB 0.736 62.847 63.200 -1.815 0.000 1.010 199 S HN 0.671 nan 8.310 nan 0.000 0.482 200 H N 2.888 121.735 119.070 -0.371 0.000 2.652 200 H HA 0.209 4.764 4.556 -0.001 0.000 0.274 200 H C -0.408 174.718 175.328 -0.336 0.000 1.021 200 H CA 0.184 56.054 56.048 -0.297 0.000 1.187 200 H CB 0.392 30.039 29.762 -0.193 0.000 1.505 200 H HN 0.704 nan 8.280 nan 0.000 0.530 201 D N -0.803 119.426 120.400 -0.284 0.000 2.891 201 D HA 0.046 4.685 4.640 -0.001 0.000 0.312 201 D C -0.171 176.047 176.300 -0.137 0.000 1.354 201 D CA -0.604 53.280 54.000 -0.194 0.000 0.838 201 D CB -0.559 40.191 40.800 -0.083 0.000 1.117 201 D HN 0.063 nan 8.370 nan 0.000 0.473 202 H N 0.212 119.208 119.070 -0.123 0.000 2.741 202 H HA -0.158 4.398 4.556 -0.001 0.000 0.305 202 H C 1.445 176.775 175.328 0.003 0.000 1.169 202 H CA 1.177 57.196 56.048 -0.049 0.000 1.144 202 H CB -1.483 28.307 29.762 0.046 0.000 1.397 202 H HN 0.754 nan 8.280 nan 0.000 0.409 203 G N -0.759 107.916 108.800 -0.209 0.000 2.175 203 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.244 203 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.244 203 G C 1.411 176.346 174.900 0.059 0.000 0.982 203 G CA 0.415 45.476 45.100 -0.066 0.000 0.641 203 G HN 0.420 nan 8.290 nan 0.000 0.527 204 R N 0.615 121.090 120.500 -0.041 0.000 2.061 204 R HA 0.057 4.396 4.340 -0.001 0.000 0.230 204 R C 1.663 177.950 176.300 -0.022 0.000 1.140 204 R CA 2.011 58.125 56.100 0.024 0.000 0.940 204 R CB -0.963 29.343 30.300 0.010 0.000 0.839 204 R HN 0.800 nan 8.270 nan 0.000 0.429 205 T N -2.926 111.508 114.554 -0.200 0.000 2.916 205 T HA 0.556 4.905 4.350 -0.001 0.000 0.292 205 T C -0.940 173.484 174.700 -0.460 0.000 1.055 205 T CA -0.874 61.136 62.100 -0.150 0.000 1.009 205 T CB 1.979 70.813 68.868 -0.057 0.000 1.118 205 T HN 0.175 nan 8.240 nan 0.000 0.497 206 W N -0.110 121.182 121.300 -0.013 0.000 2.962 206 W HA 0.787 5.447 4.660 -0.001 0.000 0.341 206 W C -0.313 176.219 176.519 0.023 0.000 1.155 206 W CA -0.805 56.527 57.345 -0.022 0.000 1.165 206 W CB 2.348 31.782 29.460 -0.044 0.000 1.435 206 W HN 1.094 nan 8.180 nan 0.000 0.546 207 A N 1.366 124.371 122.820 0.308 0.000 2.566 207 A HA 0.892 5.211 4.320 -0.001 0.000 0.292 207 A C -1.321 176.427 177.584 0.274 0.000 1.112 207 A CA -1.185 50.980 52.037 0.214 0.000 0.707 207 A CB 1.571 20.629 19.000 0.096 0.000 1.302 207 A HN 0.668 nan 8.150 nan 0.000 0.409 208 R N 0.546 121.143 120.500 0.162 0.000 2.294 208 R HA 0.514 4.854 4.340 -0.001 0.000 0.319 208 R C 0.558 176.818 176.300 -0.067 0.000 0.984 208 R CA -0.138 55.999 56.100 0.062 0.000 0.861 208 R CB 1.793 32.069 30.300 -0.040 0.000 1.104 208 R HN 0.885 nan 8.270 nan 0.000 0.451 209 G N 1.364 110.135 108.800 -0.047 0.000 2.616 209 G HA2 0.100 4.059 3.960 -0.001 0.000 0.268 209 G HA3 0.100 4.059 3.960 -0.001 0.000 0.268 209 G C -0.330 174.445 174.900 -0.208 0.000 1.213 209 G CA -0.511 44.500 45.100 -0.148 0.000 0.926 209 G HN 0.504 nan 8.290 nan 0.000 0.523 210 H N -0.784 118.268 119.070 -0.031 0.000 2.607 210 H HA 0.262 4.818 4.556 -0.001 0.000 0.367 210 H C -0.147 175.161 175.328 -0.034 0.000 1.181 210 H CA -0.461 55.542 56.048 -0.076 0.000 1.402 210 H CB 0.526 30.311 29.762 0.039 0.000 1.474 210 H HN 0.211 nan 8.280 nan 0.000 0.596 211 F N 0.193 120.274 119.950 0.218 0.000 2.410 211 F HA 0.091 4.617 4.527 -0.001 0.000 0.334 211 F C 0.778 176.663 175.800 0.142 0.000 1.134 211 F CA -0.631 57.450 58.000 0.135 0.000 1.227 211 F CB 0.547 39.558 39.000 0.018 0.000 1.194 211 F HN 0.224 nan 8.300 nan 0.000 0.571 212 V N 0.975 121.064 119.914 0.291 0.000 2.555 212 V HA 0.543 4.662 4.120 -0.001 0.000 0.286 212 V C 0.447 176.620 176.094 0.132 0.000 1.044 212 V CA -1.148 61.251 62.300 0.165 0.000 1.026 212 V CB 0.400 32.230 31.823 0.013 0.000 0.981 212 V HN 0.928 nan 8.190 nan 0.000 0.480 213 A N 4.348 127.233 122.820 0.108 0.000 3.076 213 A HA 0.440 4.759 4.320 -0.001 0.000 0.269 213 A C 0.375 177.972 177.584 0.022 0.000 1.916 213 A CA 0.297 52.370 52.037 0.061 0.000 1.492 213 A CB -1.099 17.933 19.000 0.054 0.000 1.000 213 A HN 1.086 nan 8.150 nan 0.000 0.615 214 Q N -0.242 119.560 119.800 0.004 0.000 2.776 214 Q HA 0.121 4.460 4.340 -0.001 0.000 0.289 214 Q C -1.788 174.190 176.000 -0.036 0.000 0.912 214 Q CA -0.811 54.982 55.803 -0.015 0.000 0.789 214 Q CB 1.199 29.927 28.738 -0.017 0.000 1.498 214 Q HN 0.399 nan 8.270 nan 0.000 0.408 215 D N 1.914 122.303 120.400 -0.018 0.000 2.367 215 D HA 0.156 4.795 4.640 -0.001 0.000 0.255 215 D C -1.167 175.110 176.300 -0.038 0.000 1.300 215 D CA 0.662 54.645 54.000 -0.030 0.000 0.959 215 D CB 0.061 40.898 40.800 0.060 0.000 1.064 215 D HN 0.511 nan 8.370 nan 0.000 0.509 216 T N 0.938 115.427 114.554 -0.107 0.000 2.909 216 T HA 0.599 4.949 4.350 -0.001 0.000 0.299 216 T C 0.574 175.122 174.700 -0.252 0.000 1.073 216 T CA -0.835 61.179 62.100 -0.142 0.000 0.999 216 T CB 1.503 70.300 68.868 -0.119 0.000 1.098 216 T HN 0.145 nan 8.240 nan 0.000 0.477 217 L N 0.092 121.096 121.223 -0.364 0.000 2.731 217 L HA 0.542 4.881 4.340 -0.001 0.000 0.199 217 L C 0.512 176.894 176.870 -0.813 0.000 1.976 217 L CA -1.414 52.954 54.840 -0.787 0.000 2.802 217 L CB 0.009 41.681 42.059 -0.646 0.000 2.882 217 L HN 0.656 nan 8.230 nan 0.000 0.651 218 E N 0.335 120.008 120.200 -0.879 0.000 2.568 218 E HA 0.061 4.410 4.350 -0.001 0.000 0.262 218 E C -0.705 175.773 176.600 -0.203 0.000 0.961 218 E CA 0.176 56.359 56.400 -0.361 0.000 0.945 218 E CB 0.230 29.812 29.700 -0.196 0.000 0.924 218 E HN 0.481 nan 8.360 nan 0.000 0.467 219 C N 1.247 120.482 119.300 -0.108 0.000 3.236 219 C HA 0.680 5.139 4.460 -0.001 0.000 0.312 219 C C -0.960 173.979 174.990 -0.085 0.000 1.374 219 C CA -0.808 58.140 59.018 -0.116 0.000 1.455 219 C CB 1.424 29.065 27.740 -0.166 0.000 1.834 219 C HN 0.764 nan 8.230 nan 0.000 0.460 220 Q N 0.368 120.124 119.800 -0.072 0.000 2.416 220 Q HA 0.743 5.082 4.340 -0.001 0.000 0.281 220 Q C -1.100 174.885 176.000 -0.024 0.000 1.067 220 Q CA -0.688 55.078 55.803 -0.062 0.000 0.809 220 Q CB 2.741 31.465 28.738 -0.024 0.000 1.418 220 Q HN 1.042 nan 8.270 nan 0.000 0.411 221 V N -2.174 117.739 119.914 -0.002 0.000 2.914 221 V HA 1.055 5.174 4.120 -0.001 0.000 0.314 221 V C -1.068 175.118 176.094 0.153 0.000 1.084 221 V CA -0.718 61.631 62.300 0.082 0.000 0.963 221 V CB 1.596 33.483 31.823 0.106 0.000 1.025 221 V HN 0.864 nan 8.190 nan 0.000 0.432 222 A N 1.962 124.892 122.820 0.184 0.000 2.539 222 A HA 0.823 5.143 4.320 -0.001 0.000 0.296 222 A C -0.842 176.843 177.584 0.168 0.000 1.073 222 A CA -0.631 51.532 52.037 0.210 0.000 0.700 222 A CB 1.928 21.072 19.000 0.239 0.000 1.296 222 A HN 1.083 nan 8.150 nan 0.000 0.405 223 E N 0.898 121.191 120.200 0.154 0.000 2.179 223 E HA 0.634 4.983 4.350 -0.001 0.000 0.275 223 E C -1.613 175.041 176.600 0.091 0.000 0.945 223 E CA -0.475 55.993 56.400 0.113 0.000 0.792 223 E CB 1.611 31.374 29.700 0.106 0.000 1.125 223 E HN 0.421 nan 8.360 nan 0.000 0.397 224 V N 3.907 123.859 119.914 0.062 0.000 2.709 224 V HA 0.260 4.379 4.120 -0.001 0.000 0.308 224 V C -0.843 175.265 176.094 0.023 0.000 1.062 224 V CA -0.832 61.490 62.300 0.037 0.000 0.901 224 V CB 2.019 33.855 31.823 0.021 0.000 1.003 224 V HN 0.734 nan 8.190 nan 0.000 0.425 225 E N 1.709 121.918 120.200 0.015 0.000 2.174 225 E HA 0.346 4.695 4.350 -0.001 0.000 0.282 225 E C 0.155 176.756 176.600 0.001 0.000 0.992 225 E CA -0.200 56.205 56.400 0.008 0.000 0.803 225 E CB 1.539 31.244 29.700 0.009 0.000 1.090 225 E HN 0.847 nan 8.360 nan 0.000 0.396 226 T N 0.048 114.601 114.554 -0.002 0.000 3.186 226 T HA 0.287 4.637 4.350 -0.001 0.000 0.257 226 T C 1.316 176.013 174.700 -0.006 0.000 1.029 226 T CA 0.150 62.247 62.100 -0.006 0.000 0.916 226 T CB 0.210 69.070 68.868 -0.012 0.000 1.041 226 T HN 0.704 nan 8.240 nan 0.000 0.562 227 G N 1.807 110.605 108.800 -0.004 0.000 2.377 227 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.250 227 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.250 227 G C 0.735 175.632 174.900 -0.006 0.000 1.039 227 G CA 0.728 45.826 45.100 -0.004 0.000 0.625 227 G HN 0.619 nan 8.290 nan 0.000 0.526 228 E N 0.420 120.616 120.200 -0.007 0.000 2.290 228 E HA 0.257 4.606 4.350 -0.001 0.000 0.197 228 E C 0.978 177.572 176.600 -0.009 0.000 0.948 228 E CA 1.018 57.413 56.400 -0.009 0.000 0.895 228 E CB 0.121 29.815 29.700 -0.011 0.000 0.865 228 E HN 0.782 nan 8.360 nan 0.000 0.486 229 Q N -0.803 118.992 119.800 -0.008 0.000 2.829 229 Q HA 0.341 4.681 4.340 -0.001 0.000 0.296 229 Q C -1.383 174.614 176.000 -0.005 0.000 0.893 229 Q CA -1.005 54.792 55.803 -0.009 0.000 0.772 229 Q CB 0.829 29.559 28.738 -0.014 0.000 1.489 229 Q HN -0.125 nan 8.270 nan 0.000 0.420 230 R N 0.580 121.077 120.500 -0.004 0.000 2.349 230 R HA 0.684 5.023 4.340 -0.001 0.000 0.299 230 R C -0.850 175.449 176.300 -0.002 0.000 1.027 230 R CA -0.612 55.490 56.100 0.004 0.000 0.958 230 R CB 1.772 32.078 30.300 0.010 0.000 1.047 230 R HN 0.413 nan 8.270 nan 0.000 0.468 231 V N 3.089 123.007 119.914 0.008 0.000 2.735 231 V HA 0.308 4.427 4.120 -0.001 0.000 0.310 231 V C -0.414 175.700 176.094 0.034 0.000 1.061 231 V CA -0.887 61.416 62.300 0.005 0.000 0.913 231 V CB 2.500 34.326 31.823 0.005 0.000 1.005 231 V HN 0.438 nan 8.190 nan 0.000 0.428 232 V N 2.822 122.756 119.914 0.034 0.000 2.350 232 V HA 0.410 4.530 4.120 -0.001 0.000 0.276 232 V C 0.330 176.543 176.094 0.199 0.000 1.028 232 V CA -0.222 62.143 62.300 0.109 0.000 0.860 232 V CB 1.593 33.475 31.823 0.098 0.000 0.990 232 V HN 0.947 nan 8.190 nan 0.000 0.453 233 T N 6.357 121.026 114.554 0.192 0.000 2.799 233 T HA 0.625 4.975 4.350 -0.001 0.000 0.286 233 T C -0.782 174.032 174.700 0.190 0.000 0.973 233 T CA -0.287 61.929 62.100 0.193 0.000 1.035 233 T CB 0.675 69.627 68.868 0.140 0.000 0.932 233 T HN 0.543 nan 8.240 nan 0.000 0.469 234 L N 5.799 127.103 121.223 0.135 0.000 2.341 234 L HA 0.631 4.970 4.340 -0.001 0.000 0.278 234 L C -0.572 176.254 176.870 -0.073 0.000 1.005 234 L CA -0.739 54.069 54.840 -0.053 0.000 0.818 234 L CB 1.347 43.157 42.059 -0.415 0.000 1.259 234 L HN 0.546 nan 8.230 nan 0.000 0.418 235 N N 4.137 122.789 118.700 -0.080 0.000 2.442 235 N HA 0.664 5.404 4.740 -0.001 0.000 0.274 235 N C -1.489 173.937 175.510 -0.140 0.000 1.002 235 N CA -0.168 52.807 53.050 -0.126 0.000 0.910 235 N CB 2.051 40.469 38.487 -0.115 0.000 1.244 235 N HN 0.745 nan 8.380 nan 0.000 0.492 236 A N 3.037 125.752 122.820 -0.175 0.000 2.380 236 A HA 0.558 4.878 4.320 -0.001 0.000 0.315 236 A C -0.158 177.321 177.584 -0.174 0.000 1.101 236 A CA -0.833 51.101 52.037 -0.171 0.000 0.771 236 A CB 1.463 20.355 19.000 -0.180 0.000 1.287 236 A HN 0.732 nan 8.150 nan 0.000 0.436 237 R N 0.706 121.105 120.500 -0.168 0.000 2.490 237 R HA 0.503 4.842 4.340 -0.001 0.000 0.280 237 R C -0.172 176.052 176.300 -0.128 0.000 1.077 237 R CA 0.811 56.829 56.100 -0.138 0.000 1.065 237 R CB 0.481 30.695 30.300 -0.144 0.000 1.003 237 R HN 1.030 nan 8.270 nan 0.000 0.470 238 S N 1.833 117.486 115.700 -0.078 0.000 2.607 238 S HA 0.159 4.628 4.470 -0.001 0.000 0.273 238 S C 0.205 174.829 174.600 0.041 0.000 1.148 238 S CA -0.892 57.299 58.200 -0.015 0.000 0.833 238 S CB 1.172 64.340 63.200 -0.054 0.000 1.130 238 S HN 0.897 nan 8.310 nan 0.000 0.470 239 H N 1.171 120.202 119.070 -0.064 0.000 2.533 239 H HA 0.342 4.898 4.556 -0.001 0.000 0.271 239 H C 0.684 175.988 175.328 -0.040 0.000 1.000 239 H CA -0.151 55.876 56.048 -0.037 0.000 1.149 239 H CB -0.534 29.216 29.762 -0.021 0.000 1.375 239 H HN 0.541 nan 8.280 nan 0.000 0.582 240 L N 0.904 121.876 121.223 -0.418 0.000 2.645 240 L HA 0.161 4.500 4.340 -0.001 0.000 0.234 240 L C 0.493 177.235 176.870 -0.213 0.000 1.165 240 L CA -0.077 54.532 54.840 -0.386 0.000 0.944 240 L CB -0.015 41.840 42.059 -0.341 0.000 1.149 240 L HN 0.057 nan 8.230 nan 0.000 0.446 241 R N -1.365 119.042 120.500 -0.155 0.000 3.989 241 R HA -0.162 4.178 4.340 -0.001 0.000 0.377 241 R C -0.062 176.152 176.300 -0.143 0.000 1.158 241 R CA 0.899 56.921 56.100 -0.131 0.000 1.035 241 R CB -2.406 27.809 30.300 -0.141 0.000 1.557 241 R HN 0.441 nan 8.270 nan 0.000 0.551 242 A N 0.128 122.852 122.820 -0.160 0.000 2.604 242 A HA 0.756 5.075 4.320 -0.001 0.000 0.295 242 A C -0.372 177.078 177.584 -0.223 0.000 1.067 242 A CA -0.919 51.002 52.037 -0.193 0.000 0.683 242 A CB 1.427 20.322 19.000 -0.176 0.000 1.281 242 A HN 0.029 nan 8.150 nan 0.000 0.407 243 R N 0.165 120.481 120.500 -0.307 0.000 2.641 243 R HA 0.458 4.797 4.340 -0.001 0.000 0.269 243 R C -0.504 175.638 176.300 -0.263 0.000 1.074 243 R CA -0.310 55.589 56.100 -0.335 0.000 1.133 243 R CB 0.725 30.707 30.300 -0.530 0.000 1.029 243 R HN 0.446 nan 8.270 nan 0.000 0.488 244 V N 2.373 122.155 119.914 -0.219 0.000 2.483 244 V HA 0.270 4.389 4.120 -0.001 0.000 0.295 244 V C 0.133 176.131 176.094 -0.161 0.000 1.035 244 V CA -0.519 61.684 62.300 -0.162 0.000 0.896 244 V CB 1.606 33.353 31.823 -0.126 0.000 0.986 244 V HN 0.593 nan 8.190 nan 0.000 0.447 245 Q N 2.678 122.411 119.800 -0.112 0.000 2.356 245 Q HA 0.814 5.154 4.340 -0.001 0.000 0.270 245 Q C -1.051 174.942 176.000 -0.011 0.000 1.058 245 Q CA -0.522 55.242 55.803 -0.065 0.000 0.802 245 Q CB 2.274 30.997 28.738 -0.024 0.000 1.303 245 Q HN 0.918 nan 8.270 nan 0.000 0.444 246 A N 2.962 125.798 122.820 0.026 0.000 2.566 246 A HA 0.724 5.044 4.320 -0.001 0.000 0.292 246 A C -1.655 176.074 177.584 0.242 0.000 1.112 246 A CA -0.658 51.450 52.037 0.118 0.000 0.707 246 A CB 2.208 21.274 19.000 0.110 0.000 1.302 246 A HN 0.717 nan 8.150 nan 0.000 0.409 247 Q N -0.129 119.838 119.800 0.278 0.000 2.397 247 Q HA 0.666 5.006 4.340 -0.001 0.000 0.275 247 Q C -0.822 175.232 176.000 0.090 0.000 1.090 247 Q CA -0.513 55.422 55.803 0.219 0.000 0.809 247 Q CB 2.362 31.157 28.738 0.095 0.000 1.362 247 Q HN 0.727 nan 8.270 nan 0.000 0.431 248 S N -0.255 115.381 115.700 -0.107 0.000 2.532 248 S HA 0.459 4.929 4.470 -0.001 0.000 0.299 248 S C 0.081 174.568 174.600 -0.189 0.000 1.105 248 S CA -0.370 57.605 58.200 -0.374 0.000 1.018 248 S CB 0.958 63.576 63.200 -0.970 0.000 1.021 248 S HN 0.716 nan 8.310 nan 0.000 0.483 249 T N 0.630 115.096 114.554 -0.146 0.000 3.069 249 T HA 0.174 4.523 4.350 -0.001 0.000 0.252 249 T C 0.338 174.982 174.700 -0.094 0.000 1.053 249 T CA -0.180 61.867 62.100 -0.089 0.000 0.964 249 T CB -0.541 68.293 68.868 -0.057 0.000 1.005 249 T HN 0.622 nan 8.240 nan 0.000 0.532 250 N N 0.937 119.555 118.700 -0.136 0.000 2.599 250 N HA 0.163 4.902 4.740 -0.001 0.000 0.309 250 N C -0.929 174.509 175.510 -0.121 0.000 1.743 250 N CA -0.602 52.380 53.050 -0.112 0.000 0.918 250 N CB -0.244 38.184 38.487 -0.098 0.000 1.339 250 N HN 0.013 nan 8.380 nan 0.000 0.493 251 D N 0.351 120.685 120.400 -0.109 0.000 2.708 251 D HA -0.160 4.480 4.640 -0.001 0.000 0.236 251 D C 1.104 177.351 176.300 -0.089 0.000 1.146 251 D CA 1.779 55.739 54.000 -0.066 0.000 0.662 251 D CB -1.408 39.392 40.800 -0.001 0.000 1.059 251 D HN 0.825 nan 8.370 nan 0.000 0.428 252 G N -1.219 107.424 108.800 -0.262 0.000 2.195 252 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.246 252 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.246 252 G C 0.887 175.644 174.900 -0.239 0.000 0.984 252 G CA 0.536 45.463 45.100 -0.288 0.000 0.633 252 G HN 0.470 nan 8.290 nan 0.000 0.525 253 L N 0.883 121.971 121.223 -0.225 0.000 2.056 253 L HA 0.345 4.685 4.340 -0.001 0.000 0.207 253 L C 0.483 177.213 176.870 -0.234 0.000 1.078 253 L CA 2.013 56.718 54.840 -0.224 0.000 0.749 253 L CB -0.006 41.947 42.059 -0.176 0.000 0.901 253 L HN 0.297 nan 8.230 nan 0.000 0.433 254 D N -1.523 118.745 120.400 -0.220 0.000 2.646 254 D HA 0.289 4.928 4.640 -0.001 0.000 0.245 254 D C -1.361 174.766 176.300 -0.288 0.000 1.099 254 D CA -0.246 53.715 54.000 -0.066 0.000 0.849 254 D CB 1.685 42.507 40.800 0.036 0.000 1.448 254 D HN -0.149 nan 8.370 nan 0.000 0.489 255 F N 1.531 121.525 119.950 0.074 0.000 2.467 255 F HA 0.308 4.835 4.527 -0.001 0.000 0.336 255 F C 0.705 176.535 175.800 0.049 0.000 1.123 255 F CA -0.397 57.634 58.000 0.052 0.000 0.964 255 F CB 1.776 40.807 39.000 0.051 0.000 1.136 255 F HN 0.032 nan 8.300 nan 0.000 0.447 256 Q N 0.890 120.791 119.800 0.168 0.000 2.572 256 Q HA 0.413 4.752 4.340 -0.001 0.000 0.284 256 Q C -0.482 175.577 176.000 0.098 0.000 1.091 256 Q CA -1.021 54.847 55.803 0.108 0.000 0.840 256 Q CB 1.530 30.300 28.738 0.053 0.000 1.433 256 Q HN 0.451 nan 8.270 nan 0.000 0.471 257 E N -0.732 119.504 120.200 0.061 0.000 2.660 257 E HA -0.175 4.174 4.350 -0.001 0.000 0.260 257 E C -0.622 176.005 176.600 0.044 0.000 1.122 257 E CA 1.137 57.562 56.400 0.043 0.000 0.755 257 E CB -2.347 27.375 29.700 0.035 0.000 1.345 257 E HN 0.676 nan 8.360 nan 0.000 0.421 258 S N 0.418 116.150 115.700 0.052 0.000 2.560 258 S HA 0.280 4.749 4.470 -0.001 0.000 0.284 258 S C 0.386 174.988 174.600 0.003 0.000 1.327 258 S CA 0.387 58.605 58.200 0.031 0.000 1.055 258 S CB 1.412 64.632 63.200 0.032 0.000 0.868 258 S HN 0.376 nan 8.310 nan 0.000 0.506 259 Q N 1.612 121.401 119.800 -0.018 0.000 2.702 259 Q HA 0.513 4.852 4.340 -0.001 0.000 0.289 259 Q C -1.588 174.374 176.000 -0.063 0.000 0.923 259 Q CA -1.093 54.690 55.803 -0.034 0.000 0.787 259 Q CB 0.628 29.352 28.738 -0.022 0.000 1.476 259 Q HN 0.633 nan 8.270 nan 0.000 0.402 260 L N 1.048 122.227 121.223 -0.074 0.000 2.417 260 L HA 0.468 4.808 4.340 -0.001 0.000 0.268 260 L C -0.559 176.247 176.870 -0.106 0.000 1.158 260 L CA -0.908 53.868 54.840 -0.106 0.000 0.819 260 L CB 1.261 43.257 42.059 -0.106 0.000 1.112 260 L HN 0.498 nan 8.230 nan 0.000 0.458 261 V N 3.408 123.228 119.914 -0.155 0.000 2.289 261 V HA 0.144 4.264 4.120 -0.001 0.000 0.272 261 V C 0.825 176.809 176.094 -0.183 0.000 1.026 261 V CA -0.675 61.529 62.300 -0.160 0.000 0.807 261 V CB 0.724 32.397 31.823 -0.250 0.000 1.044 261 V HN 0.733 nan 8.190 nan 0.000 0.443 262 K N 1.911 122.240 120.400 -0.119 0.000 2.211 262 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 262 K C 1.662 178.203 176.600 -0.099 0.000 1.047 262 K CA 1.227 57.450 56.287 -0.107 0.000 0.935 262 K CB 0.096 32.553 32.500 -0.072 0.000 0.728 262 K HN 0.485 nan 8.250 nan 0.000 0.452 263 K N 0.738 121.089 120.400 -0.081 0.000 2.280 263 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 263 K C 0.488 177.036 176.600 -0.087 0.000 1.047 263 K CA 0.639 56.910 56.287 -0.028 0.000 0.942 263 K CB 0.000 32.530 32.500 0.049 0.000 0.739 263 K HN 0.123 nan 8.250 nan 0.000 0.457 264 L N 2.005 123.051 121.223 -0.295 0.000 2.314 264 L HA 0.219 4.558 4.340 -0.001 0.000 0.275 264 L C -0.183 176.494 176.870 -0.321 0.000 1.068 264 L CA -0.671 53.877 54.840 -0.487 0.000 0.894 264 L CB 1.163 42.667 42.059 -0.925 0.000 1.275 264 L HN -0.152 nan 8.230 nan 0.000 0.432 265 V N 3.460 123.286 119.914 -0.147 0.000 2.924 265 V HA 0.193 4.312 4.120 -0.001 0.000 0.305 265 V C 0.157 176.206 176.094 -0.075 0.000 1.073 265 V CA 0.100 62.340 62.300 -0.100 0.000 1.098 265 V CB 1.396 33.198 31.823 -0.035 0.000 1.000 265 V HN 0.645 nan 8.190 nan 0.000 0.484 266 E N 6.554 126.722 120.200 -0.054 0.000 2.256 266 E HA 0.479 4.828 4.350 -0.001 0.000 0.268 266 E C -2.682 173.935 176.600 0.028 0.000 0.877 266 E CA -1.690 54.736 56.400 0.043 0.000 0.757 266 E CB 2.346 32.023 29.700 -0.037 0.000 1.183 266 E HN 0.557 nan 8.360 nan 0.000 0.418 267 P HA 0.330 nan 4.420 nan 0.000 0.278 267 P C -2.638 174.694 177.300 0.054 0.000 1.258 267 P CA -1.588 61.541 63.100 0.048 0.000 0.811 267 P CB 0.885 32.639 31.700 0.090 0.000 1.063 268 P HA 0.274 nan 4.420 nan 0.000 0.280 268 P C -1.804 175.557 177.300 0.103 0.000 1.272 268 P CA -1.608 61.542 63.100 0.083 0.000 0.819 268 P CB 0.116 31.876 31.700 0.101 0.000 1.122 269 P HA 0.005 nan 4.420 nan 0.000 0.230 269 P C 0.603 177.971 177.300 0.113 0.000 1.168 269 P CA 1.202 64.361 63.100 0.098 0.000 0.793 269 P CB 0.484 32.235 31.700 0.086 0.000 0.851 270 Q N -0.710 119.153 119.800 0.105 0.000 2.088 270 Q HA 0.478 4.817 4.340 -0.001 0.000 0.270 270 Q C 0.443 176.496 176.000 0.088 0.000 0.854 270 Q CA -0.197 55.677 55.803 0.118 0.000 1.104 270 Q CB 0.406 29.198 28.738 0.090 0.000 1.251 270 Q HN 0.068 nan 8.270 nan 0.000 0.436 271 G N 0.621 109.472 108.800 0.085 0.000 2.698 271 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.233 271 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.233 271 G C -0.592 174.375 174.900 0.113 0.000 1.352 271 G CA -0.322 44.834 45.100 0.093 0.000 0.879 271 G HN 0.731 nan 8.290 nan 0.000 0.567 272 C N -0.409 118.973 119.300 0.138 0.000 2.888 272 C HA 0.715 5.174 4.460 -0.001 0.000 0.308 272 C C 0.363 175.332 174.990 -0.034 0.000 1.213 272 C CA -0.102 58.961 59.018 0.074 0.000 1.461 272 C CB 1.432 29.165 27.740 -0.013 0.000 1.934 272 C HN 1.146 nan 8.230 nan 0.000 0.474 273 Q N 2.079 121.621 119.800 -0.429 0.000 2.432 273 Q HA 0.491 4.830 4.340 -0.001 0.000 0.264 273 Q C 0.005 175.863 176.000 -0.237 0.000 1.035 273 Q CA 0.883 56.342 55.803 -0.573 0.000 0.908 273 Q CB 1.235 29.096 28.738 -1.462 0.000 1.280 273 Q HN 1.082 nan 8.270 nan 0.000 0.455 274 G N 0.794 109.578 108.800 -0.025 0.000 2.725 274 G HA2 0.484 4.443 3.960 -0.001 0.000 0.288 274 G HA3 0.484 4.443 3.960 -0.001 0.000 0.288 274 G C -1.692 173.255 174.900 0.078 0.000 1.399 274 G CA -0.361 44.804 45.100 0.109 0.000 0.859 274 G HN 0.545 nan 8.290 nan 0.000 0.479 275 S N -1.478 114.263 115.700 0.068 0.000 2.542 275 S HA 0.767 5.236 4.470 -0.001 0.000 0.293 275 S C -1.298 173.479 174.600 0.294 0.000 1.089 275 S CA -0.634 57.680 58.200 0.191 0.000 0.961 275 S CB 1.809 65.143 63.200 0.224 0.000 1.062 275 S HN 1.378 nan 8.310 nan 0.000 0.483 276 V N 5.841 125.971 119.914 0.360 0.000 2.841 276 V HA 0.832 4.952 4.120 -0.001 0.000 0.310 276 V C -1.238 175.107 176.094 0.418 0.000 1.090 276 V CA -0.742 61.800 62.300 0.404 0.000 0.930 276 V CB 1.676 33.717 31.823 0.365 0.000 1.014 276 V HN 0.954 nan 8.190 nan 0.000 0.425 277 I N 2.729 123.539 120.570 0.400 0.000 3.102 277 I HA 0.887 5.057 4.170 -0.001 0.000 0.310 277 I C -0.533 175.819 176.117 0.393 0.000 1.246 277 I CA -0.643 60.890 61.300 0.389 0.000 0.979 277 I CB 2.379 40.575 38.000 0.327 0.000 1.267 277 I HN 0.648 nan 8.210 nan 0.000 0.451 278 S N 2.116 118.026 115.700 0.349 0.000 2.578 278 S HA 0.905 5.374 4.470 -0.001 0.000 0.301 278 S C -0.747 174.084 174.600 0.384 0.000 1.091 278 S CA -0.544 57.820 58.200 0.273 0.000 1.032 278 S CB 1.653 64.950 63.200 0.161 0.000 1.064 278 S HN 0.881 nan 8.310 nan 0.000 0.508 279 F N -2.563 117.516 119.950 0.215 0.000 2.686 279 F HA 0.788 5.315 4.527 -0.001 0.000 0.311 279 F C -3.524 172.321 175.800 0.074 0.000 1.128 279 F CA -2.812 55.295 58.000 0.178 0.000 0.946 279 F CB 0.276 39.465 39.000 0.315 0.000 1.336 279 F HN 0.308 nan 8.300 nan 0.000 0.457 280 P HA 0.072 nan 4.420 nan 0.000 0.263 280 P C -0.357 176.811 177.300 -0.219 0.000 1.195 280 P CA 0.215 63.292 63.100 -0.039 0.000 0.762 280 P CB 0.968 32.681 31.700 0.021 0.000 0.799 281 S N 4.729 120.130 115.700 -0.499 0.000 2.549 281 S HA 0.150 4.619 4.470 -0.001 0.000 0.283 281 S C -1.292 172.921 174.600 -0.645 0.000 1.320 281 S CA -0.990 56.608 58.200 -1.003 0.000 1.058 281 S CB -0.141 62.475 63.200 -0.973 0.000 0.882 281 S HN 0.266 nan 8.310 nan 0.000 0.498 282 P HA 0.045 nan 4.420 nan 0.000 0.226 282 P C -0.036 177.111 177.300 -0.255 0.000 1.153 282 P CA 0.725 63.613 63.100 -0.354 0.000 0.777 282 P CB 0.098 31.592 31.700 -0.344 0.000 0.794 289 P HA 0.561 nan 4.420 nan 0.000 0.275 289 P C 0.415 177.731 177.300 0.026 0.000 1.228 289 P CA 0.189 63.325 63.100 0.060 0.000 0.786 289 P CB 1.070 32.832 31.700 0.102 0.000 0.927 290 A N 2.233 125.048 122.820 -0.009 0.000 1.970 290 A HA -0.042 4.277 4.320 -0.001 0.000 0.216 290 A C 0.863 178.382 177.584 -0.108 0.000 1.170 290 A CA 1.132 53.138 52.037 -0.053 0.000 0.645 290 A CB -0.271 18.712 19.000 -0.029 0.000 0.816 290 A HN 0.692 nan 8.150 nan 0.000 0.447 291 Q N -2.543 117.215 119.800 -0.071 0.000 2.423 291 Q HA 0.545 4.884 4.340 -0.001 0.000 0.278 291 Q C -1.381 174.604 176.000 -0.025 0.000 1.097 291 Q CA -0.459 55.258 55.803 -0.145 0.000 0.809 291 Q CB 1.680 30.371 28.738 -0.077 0.000 1.391 291 Q HN 0.506 nan 8.270 nan 0.000 0.428 292 W N 1.017 121.931 121.300 -0.643 0.000 2.762 292 W HA 0.696 5.356 4.660 -0.001 0.000 0.355 292 W C -0.918 175.233 176.519 -0.614 0.000 1.124 292 W CA -0.865 56.075 57.345 -0.676 0.000 1.141 292 W CB 0.649 29.617 29.460 -0.820 0.000 1.432 292 W HN 0.448 nan 8.180 nan 0.000 0.586 293 L N 2.168 123.338 121.223 -0.088 0.000 2.342 293 L HA 0.604 4.943 4.340 -0.001 0.000 0.271 293 L C -0.872 176.251 176.870 0.422 0.000 1.008 293 L CA -1.194 53.735 54.840 0.148 0.000 0.818 293 L CB 1.599 43.692 42.059 0.056 0.000 1.296 293 L HN 0.079 nan 8.230 nan 0.000 0.427 294 L N 2.566 124.123 121.223 0.556 0.000 2.362 294 L HA 0.594 4.934 4.340 -0.001 0.000 0.271 294 L C -1.457 175.722 176.870 0.514 0.000 1.002 294 L CA -0.343 54.778 54.840 0.468 0.000 0.818 294 L CB 1.877 43.964 42.059 0.047 0.000 1.298 294 L HN 0.460 nan 8.230 nan 0.000 0.420 295 Y N 2.502 123.012 120.300 0.350 0.000 2.470 295 Y HA 0.697 5.247 4.550 -0.001 0.000 0.341 295 Y C -1.069 174.969 175.900 0.230 0.000 1.021 295 Y CA -0.445 57.770 58.100 0.191 0.000 1.025 295 Y CB 1.938 40.334 38.460 -0.107 0.000 1.266 295 Y HN 0.753 nan 8.280 nan 0.000 0.448 296 T N 3.475 117.793 114.554 -0.394 0.000 2.887 296 T HA 0.638 4.987 4.350 -0.001 0.000 0.288 296 T C -1.433 172.951 174.700 -0.527 0.000 1.021 296 T CA -0.497 61.420 62.100 -0.304 0.000 1.000 296 T CB 1.897 70.729 68.868 -0.059 0.000 1.034 296 T HN 0.972 nan 8.240 nan 0.000 0.467 297 H N 0.930 119.753 119.070 -0.412 0.000 3.020 297 H HA 0.274 4.830 4.556 -0.001 0.000 0.303 297 H C -3.392 171.886 175.328 -0.083 0.000 1.332 297 H CA -0.948 54.917 56.048 -0.304 0.000 1.282 297 H CB 1.597 31.052 29.762 -0.512 0.000 1.928 297 H HN 0.438 nan 8.280 nan 0.000 0.519 298 P HA 0.041 nan 4.420 nan 0.000 0.267 298 P C 0.542 177.939 177.300 0.161 0.000 1.200 298 P CA 0.662 63.697 63.100 -0.108 0.000 0.772 298 P CB 0.684 32.267 31.700 -0.195 0.000 0.855 299 T N -2.622 112.012 114.554 0.134 0.000 3.044 299 T HA 0.053 4.402 4.350 -0.001 0.000 0.260 299 T C 0.631 175.394 174.700 0.105 0.000 1.019 299 T CA 0.194 62.391 62.100 0.161 0.000 0.921 299 T CB -0.456 68.453 68.868 0.069 0.000 1.053 299 T HN 0.336 nan 8.240 nan 0.000 0.533 300 H N 2.336 121.424 119.070 0.030 0.000 2.652 300 H HA 0.306 4.861 4.556 -0.001 0.000 0.349 300 H C 1.187 176.485 175.328 -0.050 0.000 1.099 300 H CA 0.715 56.772 56.048 0.014 0.000 1.417 300 H CB 1.738 31.529 29.762 0.048 0.000 1.457 300 H HN 0.375 nan 8.280 nan 0.000 0.568 301 S N 2.294 117.919 115.700 -0.125 0.000 2.528 301 S HA -0.031 4.438 4.470 -0.001 0.000 0.219 301 S C 1.315 175.651 174.600 -0.439 0.000 0.985 301 S CA -0.303 57.676 58.200 -0.368 0.000 0.914 301 S CB 0.027 62.822 63.200 -0.675 0.000 0.776 301 S HN 0.709 nan 8.310 nan 0.000 0.526 302 W N 2.120 123.652 121.300 0.386 0.000 2.792 302 W HA 0.382 5.042 4.660 -0.001 0.000 0.262 302 W C 1.235 177.809 176.519 0.091 0.000 1.212 302 W CA -0.482 56.998 57.345 0.224 0.000 1.433 302 W CB 0.351 29.954 29.460 0.239 0.000 1.004 302 W HN 0.373 nan 8.180 nan 0.000 0.608 303 Q N -0.249 119.659 119.800 0.180 0.000 2.831 303 Q HA 0.483 4.823 4.340 -0.001 0.000 0.322 303 Q C -0.583 175.398 176.000 -0.031 0.000 0.923 303 Q CA -1.158 54.641 55.803 -0.007 0.000 0.767 303 Q CB 0.942 29.595 28.738 -0.142 0.000 1.469 303 Q HN -0.093 nan 8.270 nan 0.000 0.496 304 R N 0.250 120.733 120.500 -0.028 0.000 2.419 304 R HA 0.641 4.980 4.340 -0.001 0.000 0.305 304 R C -0.885 175.376 176.300 -0.065 0.000 1.242 304 R CA 0.205 56.291 56.100 -0.024 0.000 1.105 304 R CB 0.558 30.868 30.300 0.017 0.000 1.116 304 R HN 0.583 nan 8.270 nan 0.000 0.523 305 A N 1.916 124.719 122.820 -0.030 0.000 2.610 305 A HA 0.415 4.734 4.320 -0.001 0.000 0.291 305 A C -1.309 176.299 177.584 0.040 0.000 1.086 305 A CA -0.914 51.115 52.037 -0.013 0.000 0.677 305 A CB 1.169 20.142 19.000 -0.045 0.000 1.278 305 A HN 0.618 nan 8.150 nan 0.000 0.414 306 D N -0.293 120.111 120.400 0.007 0.000 3.357 306 D HA -0.131 4.508 4.640 -0.001 0.000 0.238 306 D C -0.386 175.865 176.300 -0.081 0.000 1.126 306 D CA 0.861 54.847 54.000 -0.024 0.000 0.984 306 D CB -0.990 39.829 40.800 0.031 0.000 0.925 306 D HN 0.722 nan 8.370 nan 0.000 0.414 307 L N 0.915 122.035 121.223 -0.173 0.000 2.499 307 L HA 0.390 4.729 4.340 -0.001 0.000 0.273 307 L C 1.056 177.797 176.870 -0.215 0.000 1.195 307 L CA 1.020 55.718 54.840 -0.238 0.000 0.882 307 L CB 0.728 42.497 42.059 -0.484 0.000 1.133 307 L HN 0.332 nan 8.230 nan 0.000 0.483 308 G N 3.563 112.281 108.800 -0.137 0.000 2.533 308 G HA2 0.777 4.736 3.960 -0.001 0.000 0.304 308 G HA3 0.777 4.736 3.960 -0.001 0.000 0.304 308 G C -1.686 173.147 174.900 -0.111 0.000 1.263 308 G CA -0.292 44.695 45.100 -0.187 0.000 0.964 308 G HN 0.949 nan 8.290 nan 0.000 0.479 309 A N 0.301 123.033 122.820 -0.147 0.000 2.330 309 A HA 0.816 5.136 4.320 -0.001 0.000 0.327 309 A C -1.561 176.182 177.584 0.264 0.000 1.155 309 A CA -0.556 51.543 52.037 0.103 0.000 0.803 309 A CB 0.860 19.892 19.000 0.055 0.000 1.208 309 A HN 0.589 nan 8.150 nan 0.000 0.477 310 Y N 0.955 121.490 120.300 0.392 0.000 2.485 310 Y HA 0.593 5.142 4.550 -0.001 0.000 0.345 310 Y C -0.122 176.066 175.900 0.480 0.000 0.998 310 Y CA -0.984 57.415 58.100 0.498 0.000 1.059 310 Y CB 1.901 40.627 38.460 0.445 0.000 1.234 310 Y HN 0.593 nan 8.280 nan 0.000 0.461 311 L N 3.489 124.887 121.223 0.291 0.000 2.346 311 L HA 0.520 4.859 4.340 -0.001 0.000 0.276 311 L C -1.118 175.638 176.870 -0.190 0.000 1.006 311 L CA -0.575 54.191 54.840 -0.123 0.000 0.817 311 L CB 1.745 43.185 42.059 -1.031 0.000 1.272 311 L HN 0.735 nan 8.230 nan 0.000 0.421 312 N N 6.154 124.578 118.700 -0.461 0.000 2.573 312 N HA 0.342 5.081 4.740 -0.001 0.000 0.262 312 N C -2.234 172.785 175.510 -0.819 0.000 1.029 312 N CA -1.550 50.968 53.050 -0.886 0.000 0.882 312 N CB 2.120 39.613 38.487 -1.657 0.000 1.204 312 N HN 0.352 nan 8.380 nan 0.000 0.519 313 P HA 0.140 nan 4.420 nan 0.000 0.249 313 P C -0.236 176.478 177.300 -0.977 0.000 1.229 313 P CA 0.312 62.389 63.100 -1.705 0.000 0.788 313 P CB 0.546 31.235 31.700 -1.685 0.000 1.072 314 R N 0.762 120.892 120.500 -0.617 0.000 2.795 314 R HA 0.291 4.631 4.340 -0.001 0.000 0.320 314 R C -2.445 173.659 176.300 -0.326 0.000 1.223 314 R CA -1.621 54.263 56.100 -0.361 0.000 1.305 314 R CB 0.734 30.859 30.300 -0.292 0.000 1.318 314 R HN 0.194 nan 8.270 nan 0.000 0.636 315 P HA 0.050 nan 4.420 nan 0.000 0.268 315 P C -2.139 175.071 177.300 -0.149 0.000 1.205 315 P CA -0.675 62.265 63.100 -0.267 0.000 0.771 315 P CB 0.969 32.543 31.700 -0.209 0.000 0.858 316 P HA 0.178 nan 4.420 nan 0.000 0.266 316 P C 0.133 177.339 177.300 -0.156 0.000 1.561 316 P CA -0.280 62.737 63.100 -0.137 0.000 1.089 316 P CB -0.005 31.678 31.700 -0.029 0.000 1.534 317 A N 2.482 125.192 122.820 -0.184 0.000 2.550 317 A HA 0.071 4.390 4.320 -0.001 0.000 0.263 317 A C -1.146 176.334 177.584 -0.173 0.000 1.065 317 A CA -0.377 51.568 52.037 -0.153 0.000 0.786 317 A CB -0.481 18.423 19.000 -0.160 0.000 0.985 317 A HN 0.116 nan 8.150 nan 0.000 0.518 318 P HA -0.208 nan 4.420 nan 0.000 0.216 318 P C 1.256 178.623 177.300 0.112 0.000 1.150 318 P CA 1.592 64.757 63.100 0.109 0.000 0.843 318 P CB 0.181 31.927 31.700 0.077 0.000 0.787 319 E N -0.395 119.807 120.200 0.004 0.000 2.478 319 E HA -0.016 4.333 4.350 -0.001 0.000 0.198 319 E C 1.472 178.046 176.600 -0.042 0.000 1.046 319 E CA 0.906 57.306 56.400 -0.000 0.000 0.870 319 E CB -0.940 28.746 29.700 -0.023 0.000 0.818 319 E HN 0.180 nan 8.360 nan 0.000 0.527 320 A N 0.566 123.297 122.820 -0.148 0.000 2.251 320 A HA 0.080 4.399 4.320 -0.001 0.000 0.209 320 A C 0.236 177.668 177.584 -0.255 0.000 1.187 320 A CA -0.546 51.345 52.037 -0.244 0.000 0.823 320 A CB -0.671 18.109 19.000 -0.367 0.000 0.846 320 A HN 0.216 nan 8.150 nan 0.000 0.486 321 W N 2.165 123.405 121.300 -0.101 0.000 2.308 321 W HA 0.288 4.947 4.660 -0.001 0.000 0.324 321 W C 1.208 177.726 176.519 -0.001 0.000 1.387 321 W CA 0.438 57.747 57.345 -0.060 0.000 1.250 321 W CB 0.617 30.035 29.460 -0.070 0.000 1.257 321 W HN 0.355 nan 8.180 nan 0.000 0.554 322 S N 1.854 117.718 115.700 0.273 0.000 2.626 322 S HA 0.186 4.655 4.470 -0.001 0.000 0.257 322 S C 0.057 174.832 174.600 0.292 0.000 1.288 322 S CA -0.711 57.605 58.200 0.193 0.000 0.980 322 S CB 1.033 64.292 63.200 0.098 0.000 0.975 322 S HN 0.487 nan 8.310 nan 0.000 0.577 323 E N 1.491 121.810 120.200 0.198 0.000 2.349 323 E HA 0.454 4.803 4.350 -0.001 0.000 0.265 323 E C -2.252 174.367 176.600 0.031 0.000 1.064 323 E CA -2.006 54.466 56.400 0.121 0.000 0.886 323 E CB 0.474 30.215 29.700 0.068 0.000 1.036 323 E HN 0.528 nan 8.360 nan 0.000 0.413 324 P HA 0.089 nan 4.420 nan 0.000 0.276 324 P C -1.009 176.115 177.300 -0.294 0.000 1.244 324 P CA -0.416 62.336 63.100 -0.580 0.000 0.801 324 P CB 1.108 32.123 31.700 -1.142 0.000 1.006 325 V N 3.327 123.048 119.914 -0.320 0.000 2.513 325 V HA 0.274 4.394 4.120 -0.001 0.000 0.299 325 V C -0.375 175.527 176.094 -0.320 0.000 1.035 325 V CA -1.191 60.899 62.300 -0.349 0.000 0.889 325 V CB 1.310 32.787 31.823 -0.576 0.000 0.988 325 V HN 0.373 nan 8.190 nan 0.000 0.440 326 L N 6.805 127.872 121.223 -0.260 0.000 2.456 326 L HA 0.300 4.639 4.340 -0.001 0.000 0.277 326 L C 0.624 177.335 176.870 -0.265 0.000 1.124 326 L CA 0.810 55.513 54.840 -0.228 0.000 0.880 326 L CB 0.514 42.475 42.059 -0.162 0.000 1.192 326 L HN 0.760 nan 8.230 nan 0.000 0.463 327 L N 4.720 125.761 121.223 -0.302 0.000 2.253 327 L HA 0.372 4.711 4.340 -0.001 0.000 0.205 327 L C 0.692 177.395 176.870 -0.277 0.000 1.078 327 L CA 0.564 55.191 54.840 -0.355 0.000 0.805 327 L CB -0.154 41.645 42.059 -0.434 0.000 0.963 327 L HN 0.777 nan 8.230 nan 0.000 0.459 328 A N -0.121 122.540 122.820 -0.266 0.000 2.517 328 A HA 0.507 4.826 4.320 -0.001 0.000 0.297 328 A C -1.010 176.505 177.584 -0.114 0.000 1.050 328 A CA -0.701 51.230 52.037 -0.176 0.000 0.694 328 A CB 1.292 20.140 19.000 -0.254 0.000 1.277 328 A HN -0.068 nan 8.150 nan 0.000 0.400 329 K N 0.978 121.348 120.400 -0.050 0.000 2.098 329 K HA 0.660 4.980 4.320 -0.001 0.000 0.261 329 K C 0.722 177.321 176.600 -0.001 0.000 0.987 329 K CA 0.470 56.742 56.287 -0.025 0.000 0.916 329 K CB 1.369 33.860 32.500 -0.015 0.000 1.039 329 K HN 1.877 nan 8.250 nan 0.000 0.455 330 G N 0.841 109.646 108.800 0.008 0.000 2.632 330 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.224 330 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.224 330 G C -0.325 174.568 174.900 -0.012 0.000 1.341 330 G CA -0.349 44.754 45.100 0.004 0.000 0.880 330 G HN 0.538 nan 8.290 nan 0.000 0.566 331 S N -0.923 114.758 115.700 -0.032 0.000 2.596 331 S HA 0.370 4.839 4.470 -0.001 0.000 0.298 331 S C 0.276 174.850 174.600 -0.044 0.000 1.255 331 S CA 0.763 58.919 58.200 -0.074 0.000 1.083 331 S CB -1.288 61.844 63.200 -0.113 0.000 0.837 331 S HN 1.420 nan 8.310 nan 0.000 0.499 332 C N 4.034 123.300 119.300 -0.056 0.000 2.891 332 C HA 0.820 5.279 4.460 -0.001 0.000 0.342 332 C C 0.757 175.737 174.990 -0.016 0.000 1.126 332 C CA -0.313 58.713 59.018 0.015 0.000 1.322 332 C CB 1.003 28.725 27.740 -0.030 0.000 1.763 332 C HN 1.075 nan 8.230 nan 0.000 0.491 333 A N 1.255 124.117 122.820 0.071 0.000 2.905 333 A HA 0.774 5.094 4.320 -0.001 0.000 0.193 333 A C -0.891 176.860 177.584 0.277 0.000 1.268 333 A CA -0.009 52.127 52.037 0.166 0.000 1.416 333 A CB -0.468 18.699 19.000 0.279 0.000 1.753 333 A HN 0.672 nan 8.150 nan 0.000 0.583 334 Y N 1.506 121.885 120.300 0.133 0.000 2.550 334 Y HA 0.398 4.948 4.550 -0.001 0.000 0.343 334 Y C 1.165 177.164 175.900 0.165 0.000 1.245 334 Y CA 0.303 58.481 58.100 0.128 0.000 1.462 334 Y CB 0.406 38.959 38.460 0.154 0.000 1.340 334 Y HN 0.686 nan 8.280 nan 0.000 0.604 335 S N 0.597 116.452 115.700 0.258 0.000 2.596 335 S HA 0.647 5.116 4.470 -0.001 0.000 0.270 335 S C -1.862 172.887 174.600 0.249 0.000 1.155 335 S CA -0.998 57.361 58.200 0.265 0.000 0.827 335 S CB 2.908 66.222 63.200 0.190 0.000 1.130 335 S HN 0.479 nan 8.310 nan 0.000 0.467 336 D N -0.019 120.557 120.400 0.293 0.000 2.947 336 D HA 0.597 5.236 4.640 -0.001 0.000 0.224 336 D C -1.349 175.133 176.300 0.305 0.000 1.230 336 D CA -0.317 53.878 54.000 0.325 0.000 0.871 336 D CB 1.621 42.647 40.800 0.376 0.000 1.671 336 D HN 0.652 nan 8.370 nan 0.000 0.507 337 L N 2.268 123.653 121.223 0.270 0.000 2.330 337 L HA 0.637 4.976 4.340 -0.001 0.000 0.271 337 L C -0.324 176.576 176.870 0.051 0.000 1.013 337 L CA -0.732 54.220 54.840 0.187 0.000 0.816 337 L CB 1.738 43.903 42.059 0.176 0.000 1.287 337 L HN 0.253 nan 8.230 nan 0.000 0.435 338 Q N 1.108 120.967 119.800 0.098 0.000 2.309 338 Q HA 0.254 4.593 4.340 -0.001 0.000 0.273 338 Q C -1.204 174.847 176.000 0.085 0.000 1.040 338 Q CA -0.419 55.417 55.803 0.055 0.000 0.834 338 Q CB 2.478 31.294 28.738 0.131 0.000 1.345 338 Q HN 0.569 nan 8.270 nan 0.000 0.414 339 S N 2.324 118.077 115.700 0.087 0.000 2.499 339 S HA 0.356 4.826 4.470 -0.001 0.000 0.275 339 S C 0.556 174.967 174.600 -0.314 0.000 1.257 339 S CA -0.108 58.107 58.200 0.025 0.000 1.050 339 S CB 0.188 63.483 63.200 0.159 0.000 0.937 339 S HN 0.604 nan 8.310 nan 0.000 0.490 340 M N 4.712 123.963 119.600 -0.582 0.000 2.475 340 M HA 0.290 4.769 4.480 -0.001 0.000 0.283 340 M C 1.057 176.930 176.300 -0.713 0.000 1.165 340 M CA 0.185 54.826 55.300 -1.099 0.000 0.976 340 M CB -0.017 32.013 32.600 -0.950 0.000 1.428 340 M HN 0.989 nan 8.290 nan 0.000 0.495 341 G N 0.562 109.114 108.800 -0.413 0.000 2.499 341 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.232 341 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.232 341 G C -0.373 174.354 174.900 -0.288 0.000 1.251 341 G CA -0.652 44.303 45.100 -0.241 0.000 0.917 341 G HN 0.239 nan 8.290 nan 0.000 0.580 342 T N 1.717 116.149 114.554 -0.204 0.000 2.780 342 T HA 0.579 4.929 4.350 -0.001 0.000 0.294 342 T C 1.059 175.630 174.700 -0.214 0.000 0.949 342 T CA 0.704 62.692 62.100 -0.187 0.000 1.074 342 T CB 1.099 69.904 68.868 -0.104 0.000 0.910 342 T HN 1.355 nan 8.240 nan 0.000 0.501 343 G N 3.091 111.756 108.800 -0.225 0.000 2.557 343 G HA2 0.384 4.344 3.960 -0.001 0.000 0.292 343 G HA3 0.384 4.344 3.960 -0.001 0.000 0.292 343 G C -1.570 173.265 174.900 -0.108 0.000 1.237 343 G CA -1.451 43.536 45.100 -0.188 0.000 0.978 343 G HN 0.399 nan 8.290 nan 0.000 0.498 344 P HA -0.014 nan 4.420 nan 0.000 0.222 344 P C 0.723 177.950 177.300 -0.122 0.000 1.147 344 P CA 1.294 64.339 63.100 -0.092 0.000 0.790 344 P CB 0.194 31.767 31.700 -0.212 0.000 0.780 345 D N -2.486 117.831 120.400 -0.138 0.000 2.342 345 D HA 0.177 4.816 4.640 -0.001 0.000 0.221 345 D C 1.397 177.612 176.300 -0.141 0.000 1.101 345 D CA 0.170 54.085 54.000 -0.141 0.000 0.837 345 D CB -0.758 39.947 40.800 -0.159 0.000 0.938 345 D HN 0.166 nan 8.370 nan 0.000 0.508 346 G N 0.092 108.823 108.800 -0.116 0.000 2.199 346 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.254 346 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.254 346 G C 0.447 175.290 174.900 -0.094 0.000 0.982 346 G CA 0.504 45.548 45.100 -0.093 0.000 0.632 346 G HN 0.880 nan 8.290 nan 0.000 0.529 347 S N 0.065 115.683 115.700 -0.136 0.000 2.690 347 S HA 0.767 5.237 4.470 -0.001 0.000 0.291 347 S C -2.587 171.912 174.600 -0.168 0.000 1.138 347 S CA -1.561 56.588 58.200 -0.085 0.000 1.013 347 S CB 2.498 65.632 63.200 -0.110 0.000 1.053 347 S HN 0.057 nan 8.310 nan 0.000 0.539 348 P HA 0.141 nan 4.420 nan 0.000 0.264 348 P C -0.927 175.830 177.300 -0.905 0.000 1.183 348 P CA -0.084 62.700 63.100 -0.526 0.000 0.763 348 P CB 0.196 31.559 31.700 -0.562 0.000 0.807 349 L N 5.486 126.156 121.223 -0.920 0.000 2.309 349 L HA 0.603 4.943 4.340 -0.001 0.000 0.282 349 L C -1.179 175.011 176.870 -1.133 0.000 1.036 349 L CA -0.140 54.184 54.840 -0.861 0.000 0.806 349 L CB 0.112 41.839 42.059 -0.554 0.000 1.220 349 L HN 0.153 nan 8.230 nan 0.000 0.429 350 F N 2.318 121.939 119.950 -0.549 0.000 2.563 350 F HA 0.770 5.296 4.527 -0.001 0.000 0.316 350 F C 0.656 176.157 175.800 -0.498 0.000 1.076 350 F CA -0.742 56.898 58.000 -0.600 0.000 0.921 350 F CB 2.122 40.585 39.000 -0.895 0.000 1.209 350 F HN 0.558 nan 8.300 nan 0.000 0.462 351 G N 0.159 108.952 108.800 -0.011 0.000 2.452 351 G HA2 0.551 4.511 3.960 -0.001 0.000 0.324 351 G HA3 0.551 4.511 3.960 -0.001 0.000 0.324 351 G C -1.938 173.102 174.900 0.233 0.000 1.214 351 G CA -0.766 44.446 45.100 0.186 0.000 0.947 351 G HN 0.896 nan 8.290 nan 0.000 0.478 352 C N 3.067 122.512 119.300 0.242 0.000 2.608 352 C HA 0.752 5.211 4.460 -0.001 0.000 0.325 352 C C -1.281 173.956 174.990 0.412 0.000 1.147 352 C CA -0.749 58.466 59.018 0.329 0.000 1.359 352 C CB 0.672 28.628 27.740 0.360 0.000 1.912 352 C HN 0.655 nan 8.230 nan 0.000 0.466 353 L N 6.385 127.864 121.223 0.427 0.000 2.341 353 L HA 0.806 5.146 4.340 -0.001 0.000 0.278 353 L C -0.601 176.502 176.870 0.390 0.000 1.005 353 L CA -0.046 55.026 54.840 0.387 0.000 0.818 353 L CB 1.453 43.730 42.059 0.362 0.000 1.259 353 L HN 0.788 nan 8.230 nan 0.000 0.418 354 Y N 0.561 120.972 120.300 0.184 0.000 2.552 354 Y HA 0.611 5.161 4.550 -0.001 0.000 0.337 354 Y C -0.845 175.133 175.900 0.130 0.000 1.094 354 Y CA -1.161 57.030 58.100 0.150 0.000 1.028 354 Y CB 0.973 39.492 38.460 0.099 0.000 1.321 354 Y HN 0.594 nan 8.280 nan 0.000 0.456 355 E N 2.216 122.553 120.200 0.228 0.000 2.338 355 E HA 0.612 4.962 4.350 -0.001 0.000 0.272 355 E C -0.706 175.951 176.600 0.095 0.000 1.029 355 E CA -0.223 56.251 56.400 0.123 0.000 0.872 355 E CB 1.230 31.055 29.700 0.209 0.000 1.015 355 E HN 0.814 nan 8.360 nan 0.000 0.417 356 A N 2.945 125.747 122.820 -0.030 0.000 2.593 356 A HA 0.473 4.793 4.320 -0.001 0.000 0.290 356 A C -0.688 176.852 177.584 -0.075 0.000 1.126 356 A CA -0.868 51.162 52.037 -0.010 0.000 0.695 356 A CB 0.871 19.892 19.000 0.035 0.000 1.290 356 A HN 0.870 nan 8.150 nan 0.000 0.414 357 N N 0.801 119.462 118.700 -0.064 0.000 2.696 357 N HA -0.184 4.556 4.740 -0.001 0.000 0.256 357 N C -0.552 174.902 175.510 -0.093 0.000 1.031 357 N CA 1.091 54.104 53.050 -0.061 0.000 0.730 357 N CB -0.744 37.731 38.487 -0.020 0.000 0.894 357 N HN 0.979 nan 8.380 nan 0.000 0.544 358 D N -0.364 119.911 120.400 -0.208 0.000 2.689 358 D HA -0.259 4.380 4.640 -0.001 0.000 0.237 358 D C -0.553 175.702 176.300 -0.076 0.000 1.148 358 D CA 1.606 55.476 54.000 -0.218 0.000 0.656 358 D CB -1.136 39.649 40.800 -0.024 0.000 1.050 358 D HN 0.634 nan 8.370 nan 0.000 0.426 359 Y N -2.476 117.836 120.300 0.021 0.000 4.177 359 Y HA -0.295 4.254 4.550 -0.001 0.000 0.227 359 Y C 1.400 177.319 175.900 0.032 0.000 1.154 359 Y CA 1.152 59.261 58.100 0.015 0.000 1.887 359 Y CB -2.219 36.233 38.460 -0.013 0.000 1.594 359 Y HN 0.480 nan 8.280 nan 0.000 0.668 360 E N 0.724 120.987 120.200 0.106 0.000 2.474 360 E HA 0.103 4.452 4.350 -0.001 0.000 0.195 360 E C 0.712 177.371 176.600 0.100 0.000 1.039 360 E CA 0.734 57.197 56.400 0.104 0.000 0.881 360 E CB 0.422 30.162 29.700 0.066 0.000 0.970 360 E HN 0.755 nan 8.360 nan 0.000 0.486 361 E N 0.182 120.428 120.200 0.076 0.000 2.401 361 E HA 0.412 4.762 4.350 -0.001 0.000 0.280 361 E C -1.245 175.366 176.600 0.018 0.000 1.039 361 E CA -0.708 55.724 56.400 0.053 0.000 0.814 361 E CB 1.130 30.827 29.700 -0.004 0.000 1.275 361 E HN -0.106 nan 8.360 nan 0.000 0.448 362 I N 1.951 122.534 120.570 0.023 0.000 2.418 362 I HA 0.348 4.517 4.170 -0.001 0.000 0.287 362 I C -0.779 175.249 176.117 -0.148 0.000 1.008 362 I CA -1.221 60.070 61.300 -0.015 0.000 1.104 362 I CB 1.915 40.028 38.000 0.189 0.000 1.264 362 I HN 0.352 nan 8.210 nan 0.000 0.438 363 V N 6.306 125.980 119.914 -0.400 0.000 2.532 363 V HA 0.341 4.460 4.120 -0.001 0.000 0.295 363 V C -0.483 175.517 176.094 -0.156 0.000 1.041 363 V CA -0.635 61.428 62.300 -0.395 0.000 0.926 363 V CB 1.872 33.273 31.823 -0.704 0.000 0.992 363 V HN 0.437 nan 8.190 nan 0.000 0.457 364 F N 5.411 125.289 119.950 -0.120 0.000 2.420 364 F HA 0.767 5.293 4.527 -0.001 0.000 0.342 364 F C -0.922 175.004 175.800 0.211 0.000 1.113 364 F CA -0.917 57.122 58.000 0.065 0.000 1.059 364 F CB 1.272 40.305 39.000 0.054 0.000 1.128 364 F HN 0.295 nan 8.300 nan 0.000 0.475 365 L N 6.973 127.868 121.223 -0.545 0.000 2.386 365 L HA 0.605 4.945 4.340 -0.001 0.000 0.271 365 L C -1.072 175.453 176.870 -0.576 0.000 0.993 365 L CA -0.621 54.024 54.840 -0.325 0.000 0.819 365 L CB 1.939 44.088 42.059 0.150 0.000 1.294 365 L HN 0.818 nan 8.230 nan 0.000 0.414 366 M N 5.150 124.592 119.600 -0.263 0.000 2.263 366 M HA 0.694 5.174 4.480 -0.001 0.000 0.295 366 M C -1.798 174.600 176.300 0.163 0.000 1.028 366 M CA -0.402 54.824 55.300 -0.124 0.000 0.921 366 M CB 1.383 33.976 32.600 -0.012 0.000 1.601 366 M HN 0.500 nan 8.290 nan 0.000 0.440 367 F N 0.542 120.512 119.950 0.032 0.000 2.745 367 F HA 0.891 5.418 4.527 -0.001 0.000 0.316 367 F C -0.896 174.951 175.800 0.078 0.000 1.155 367 F CA -0.756 57.277 58.000 0.055 0.000 0.937 367 F CB 0.953 39.987 39.000 0.056 0.000 1.361 367 F HN 0.558 nan 8.300 nan 0.000 0.472 368 T N -0.960 113.715 114.554 0.202 0.000 2.949 368 T HA 0.433 4.782 4.350 -0.001 0.000 0.287 368 T C 0.324 175.220 174.700 0.327 0.000 1.034 368 T CA -0.563 61.564 62.100 0.045 0.000 1.018 368 T CB 1.729 70.570 68.868 -0.046 0.000 1.135 368 T HN 0.946 nan 8.240 nan 0.000 0.532 369 L N 0.737 122.126 121.223 0.277 0.000 2.083 369 L HA 0.182 4.521 4.340 -0.001 0.000 0.209 369 L C 2.564 179.736 176.870 0.503 0.000 1.083 369 L CA 1.840 57.005 54.840 0.542 0.000 0.752 369 L CB -0.879 41.486 42.059 0.511 0.000 0.899 369 L HN 0.888 nan 8.230 nan 0.000 0.433 370 K N -1.155 119.399 120.400 0.256 0.000 2.097 370 K HA -0.190 4.130 4.320 -0.001 0.000 0.205 370 K C 2.068 178.745 176.600 0.127 0.000 1.050 370 K CA 1.538 57.879 56.287 0.090 0.000 0.938 370 K CB -0.018 32.297 32.500 -0.308 0.000 0.718 370 K HN 0.515 nan 8.250 nan 0.000 0.442 371 Q N -0.517 119.358 119.800 0.125 0.000 2.049 371 Q HA -0.090 4.250 4.340 -0.001 0.000 0.198 371 Q C 2.103 178.128 176.000 0.041 0.000 0.971 371 Q CA 1.450 57.304 55.803 0.085 0.000 0.833 371 Q CB -0.054 28.754 28.738 0.117 0.000 0.896 371 Q HN 0.374 nan 8.270 nan 0.000 0.434 372 A N 0.064 122.945 122.820 0.101 0.000 1.897 372 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 372 A C 0.523 177.795 177.584 -0.520 0.000 1.181 372 A CA 0.874 52.788 52.037 -0.206 0.000 0.620 372 A CB 0.098 19.072 19.000 -0.043 0.000 0.821 372 A HN 0.298 nan 8.150 nan 0.000 0.443 373 F N -0.423 119.659 119.950 0.220 0.000 2.622 373 F HA 0.310 4.837 4.527 -0.001 0.000 0.338 373 F C -1.745 174.218 175.800 0.271 0.000 1.334 373 F CA -1.850 56.277 58.000 0.213 0.000 1.179 373 F CB 1.457 40.602 39.000 0.242 0.000 1.471 373 F HN 0.090 nan 8.300 nan 0.000 0.576 374 P HA -0.195 nan 4.420 nan 0.000 0.222 374 P C 1.483 178.967 177.300 0.308 0.000 1.147 374 P CA 1.264 64.553 63.100 0.315 0.000 0.790 374 P CB 0.328 32.123 31.700 0.159 0.000 0.780 375 A N 0.625 123.590 122.820 0.242 0.000 2.070 375 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 375 A C 2.055 179.733 177.584 0.157 0.000 1.159 375 A CA 1.248 53.392 52.037 0.178 0.000 0.656 375 A CB -0.835 18.256 19.000 0.151 0.000 0.800 375 A HN 0.083 nan 8.150 nan 0.000 0.453 376 E N -1.312 118.995 120.200 0.178 0.000 2.427 376 E HA 0.014 4.363 4.350 -0.001 0.000 0.196 376 E C -0.362 176.111 176.600 -0.211 0.000 1.028 376 E CA 0.467 56.871 56.400 0.008 0.000 0.864 376 E CB -0.120 29.598 29.700 0.030 0.000 0.813 376 E HN 0.757 nan 8.360 nan 0.000 0.514 377 Y N 0.000 120.393 120.300 0.156 0.000 2.660 377 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 377 Y CA 0.000 58.167 58.100 0.112 0.000 1.940 377 Y CB 0.000 38.521 38.460 0.101 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758