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 2jd0_1_B DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV NSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LQVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 11 G C 0.000 174.853 174.900 -0.078 0.000 0.946 11 G CA 0.000 45.066 45.100 -0.057 0.000 0.502 12 R N -0.174 120.292 120.500 -0.056 0.000 2.340 12 R HA 0.552 4.892 4.340 0.000 0.000 0.300 12 R C -0.179 176.115 176.300 -0.010 0.000 1.069 12 R CA -0.343 55.723 56.100 -0.055 0.000 0.984 12 R CB 0.455 30.741 30.300 -0.022 0.000 1.003 12 R HN 0.381 nan 8.270 nan 0.000 0.459 13 L N 5.206 126.439 121.223 0.017 0.000 2.275 13 L HA 0.436 4.776 4.340 0.000 0.000 0.288 13 L C 0.212 177.172 176.870 0.151 0.000 1.046 13 L CA -0.599 54.308 54.840 0.112 0.000 0.805 13 L CB 1.486 43.670 42.059 0.209 0.000 1.193 13 L HN 0.508 nan 8.230 nan 0.000 0.426 14 R N 2.684 123.245 120.500 0.101 0.000 2.316 14 R HA 0.400 4.740 4.340 0.000 0.000 0.314 14 R C -0.927 175.423 176.300 0.084 0.000 1.069 14 R CA -0.359 55.792 56.100 0.085 0.000 0.959 14 R CB 0.925 31.258 30.300 0.055 0.000 0.987 14 R HN 0.319 nan 8.270 nan 0.000 0.446 15 V N 4.149 124.109 119.914 0.077 0.000 2.495 15 V HA 0.279 4.399 4.120 0.000 0.000 0.298 15 V C -0.042 176.060 176.094 0.014 0.000 1.031 15 V CA -0.942 61.382 62.300 0.040 0.000 0.871 15 V CB 1.981 33.810 31.823 0.011 0.000 0.988 15 V HN 0.427 nan 8.190 nan 0.000 0.432 16 V N 5.403 125.315 119.914 -0.003 0.000 2.383 16 V HA 0.328 4.448 4.120 0.000 0.000 0.275 16 V C -0.003 176.074 176.094 -0.028 0.000 1.036 16 V CA -0.455 61.836 62.300 -0.016 0.000 0.889 16 V CB 1.726 33.533 31.823 -0.027 0.000 0.985 16 V HN 0.646 nan 8.190 nan 0.000 0.459 17 V N 7.328 127.227 119.914 -0.025 0.000 2.318 17 V HA 0.371 4.492 4.120 0.000 0.000 0.271 17 V C 0.013 176.090 176.094 -0.027 0.000 1.030 17 V CA -0.337 61.943 62.300 -0.033 0.000 0.844 17 V CB 0.956 32.760 31.823 -0.032 0.000 1.015 17 V HN 0.611 nan 8.190 nan 0.000 0.460 18 L N 4.270 125.472 121.223 -0.033 0.000 2.275 18 L HA 0.705 5.045 4.340 0.000 0.000 0.288 18 L C 1.073 177.927 176.870 -0.026 0.000 1.046 18 L CA -0.234 54.589 54.840 -0.029 0.000 0.805 18 L CB 1.189 43.226 42.059 -0.036 0.000 1.193 18 L HN 0.858 nan 8.230 nan 0.000 0.426 19 G N 1.698 110.489 108.800 -0.015 0.000 2.401 19 G HA2 -0.259 3.701 3.960 0.000 0.000 0.283 19 G HA3 -0.259 3.701 3.960 0.000 0.000 0.283 19 G C 0.727 175.615 174.900 -0.019 0.000 1.117 19 G CA 0.334 45.426 45.100 -0.014 0.000 1.051 19 G HN 0.826 nan 8.290 nan 0.000 0.510 20 S N -1.255 114.441 115.700 -0.007 0.000 2.461 20 S HA -0.019 4.451 4.470 0.000 0.000 0.228 20 S C 2.172 176.765 174.600 -0.012 0.000 1.005 20 S CA 1.853 60.048 58.200 -0.009 0.000 0.942 20 S CB -0.132 63.071 63.200 0.005 0.000 0.776 20 S HN 1.525 nan 8.310 nan 0.000 0.514 21 T N -1.781 112.766 114.554 -0.011 0.000 3.086 21 T HA 0.434 4.784 4.350 0.000 0.000 0.250 21 T C 0.974 175.606 174.700 -0.113 0.000 1.074 21 T CA 0.116 62.196 62.100 -0.034 0.000 0.988 21 T CB -0.078 68.800 68.868 0.017 0.000 0.988 21 T HN 0.412 nan 8.240 nan 0.000 0.530 22 G N 0.539 109.282 108.800 -0.096 0.000 2.563 22 G HA2 0.394 4.354 3.960 0.000 0.000 0.283 22 G HA3 0.394 4.354 3.960 0.000 0.000 0.283 22 G C 0.950 175.763 174.900 -0.145 0.000 1.309 22 G CA -0.018 45.000 45.100 -0.138 0.000 1.022 22 G HN 0.151 nan 8.290 nan 0.000 0.501 23 S N -1.088 114.504 115.700 -0.180 0.000 2.343 23 S HA -0.151 4.319 4.470 0.000 0.000 0.219 23 S C 2.401 176.938 174.600 -0.105 0.000 1.033 23 S CA 1.143 59.239 58.200 -0.175 0.000 1.014 23 S CB -0.361 62.716 63.200 -0.204 0.000 0.915 23 S HN 0.380 nan 8.310 nan 0.000 0.435 24 I N 1.716 122.231 120.570 -0.092 0.000 2.163 24 I HA -0.113 4.057 4.170 0.000 0.000 0.243 24 I C 2.770 178.848 176.117 -0.065 0.000 1.085 24 I CA 1.693 62.950 61.300 -0.072 0.000 1.347 24 I CB -2.117 35.843 38.000 -0.066 0.000 1.044 24 I HN 0.479 nan 8.210 nan 0.000 0.408 25 G N 0.748 109.510 108.800 -0.063 0.000 2.422 25 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 25 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 25 G C 1.682 176.557 174.900 -0.042 0.000 1.146 25 G CA 1.579 46.648 45.100 -0.052 0.000 0.769 25 G HN 0.502 nan 8.290 nan 0.000 0.547 26 T N -1.483 113.049 114.554 -0.038 0.000 2.942 26 T HA -0.012 4.338 4.350 0.000 0.000 0.265 26 T C 2.226 176.921 174.700 -0.009 0.000 1.062 26 T CA 1.289 63.381 62.100 -0.013 0.000 1.139 26 T CB -0.223 68.649 68.868 0.007 0.000 0.883 26 T HN 0.369 nan 8.240 nan 0.000 0.468 27 Q N 0.994 120.780 119.800 -0.023 0.000 2.119 27 Q HA 0.116 4.456 4.340 0.000 0.000 0.201 27 Q C 2.801 178.778 176.000 -0.038 0.000 0.972 27 Q CA 1.325 57.115 55.803 -0.021 0.000 0.847 27 Q CB -0.420 28.300 28.738 -0.030 0.000 0.903 27 Q HN 0.707 nan 8.270 nan 0.000 0.433 28 A N 0.859 123.644 122.820 -0.059 0.000 1.902 28 A HA -0.156 4.164 4.320 0.000 0.000 0.217 28 A C 2.039 179.571 177.584 -0.086 0.000 1.181 28 A CA 1.064 53.044 52.037 -0.095 0.000 0.623 28 A CB -0.639 18.294 19.000 -0.111 0.000 0.818 28 A HN 0.289 nan 8.150 nan 0.000 0.443 29 L N -0.870 120.324 121.223 -0.049 0.000 2.131 29 L HA -0.241 4.099 4.340 0.000 0.000 0.210 29 L C 2.863 179.732 176.870 -0.003 0.000 1.092 29 L CA 1.368 56.194 54.840 -0.023 0.000 0.759 29 L CB -0.519 41.536 42.059 -0.007 0.000 0.903 29 L HN 0.498 nan 8.230 nan 0.000 0.435 30 Q N -0.701 119.100 119.800 0.000 0.000 2.084 30 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 30 Q C 2.356 178.370 176.000 0.023 0.000 0.978 30 Q CA 1.453 57.265 55.803 0.016 0.000 0.844 30 Q CB -0.118 28.631 28.738 0.018 0.000 0.898 30 Q HN 0.367 nan 8.270 nan 0.000 0.426 31 V N 0.962 120.878 119.914 0.004 0.000 2.358 31 V HA -0.247 3.874 4.120 0.000 0.000 0.246 31 V C 2.105 178.247 176.094 0.079 0.000 1.047 31 V CA 1.506 63.821 62.300 0.025 0.000 1.035 31 V CB -0.421 31.384 31.823 -0.031 0.000 0.658 31 V HN 0.344 nan 8.190 nan 0.000 0.452 32 I N 0.572 121.154 120.570 0.020 0.000 2.286 32 I HA -0.219 3.951 4.170 0.000 0.000 0.248 32 I C 2.575 178.774 176.117 0.138 0.000 1.115 32 I CA 1.454 62.824 61.300 0.118 0.000 1.392 32 I CB -0.498 37.517 38.000 0.025 0.000 1.065 32 I HN 0.285 nan 8.210 nan 0.000 0.418 33 A N 0.170 123.038 122.820 0.079 0.000 1.968 33 A HA -0.163 4.158 4.320 0.000 0.000 0.217 33 A C 1.797 179.422 177.584 0.070 0.000 1.169 33 A CA 1.512 53.590 52.037 0.067 0.000 0.638 33 A CB -0.348 18.679 19.000 0.045 0.000 0.812 33 A HN 0.311 nan 8.150 nan 0.000 0.446 34 D N 0.222 120.668 120.400 0.077 0.000 2.347 34 D HA -0.006 4.634 4.640 0.000 0.000 0.215 34 D C -0.022 176.329 176.300 0.086 0.000 0.976 34 D CA 0.540 54.583 54.000 0.072 0.000 0.884 34 D CB -0.066 40.774 40.800 0.066 0.000 0.915 34 D HN 0.378 nan 8.370 nan 0.000 0.526 35 N N 0.891 119.669 118.700 0.129 0.000 2.679 35 N HA 0.097 4.837 4.740 0.000 0.000 0.302 35 N C -2.070 173.496 175.510 0.094 0.000 1.941 35 N CA -0.869 52.252 53.050 0.118 0.000 0.875 35 N CB 2.003 40.603 38.487 0.189 0.000 1.278 35 N HN 0.045 nan 8.380 nan 0.000 0.490 36 P HA -0.136 nan 4.420 nan 0.000 0.222 36 P C 0.877 178.177 177.300 -0.000 0.000 1.147 36 P CA 1.205 64.335 63.100 0.049 0.000 0.790 36 P CB 0.300 32.023 31.700 0.038 0.000 0.780 37 D N -0.375 120.004 120.400 -0.036 0.000 2.144 37 D HA -0.162 4.478 4.640 0.000 0.000 0.200 37 D C 1.852 178.057 176.300 -0.157 0.000 0.978 37 D CA 1.007 54.962 54.000 -0.075 0.000 0.833 37 D CB -0.481 40.278 40.800 -0.068 0.000 0.961 37 D HN 0.076 nan 8.370 nan 0.000 0.470 38 R N -0.341 119.985 120.500 -0.290 0.000 2.105 38 R HA 0.231 4.571 4.340 0.000 0.000 0.214 38 R C 0.341 176.222 176.300 -0.698 0.000 1.091 38 R CA 0.329 56.039 56.100 -0.650 0.000 1.007 38 R CB -0.073 29.538 30.300 -1.149 0.000 0.912 38 R HN 0.257 nan 8.270 nan 0.000 0.450 39 F N 0.574 120.534 119.950 0.017 0.000 2.563 39 F HA 0.336 4.862 4.527 -0.000 0.000 0.316 39 F C -0.122 175.688 175.800 0.016 0.000 1.076 39 F CA -1.272 56.739 58.000 0.018 0.000 0.921 39 F CB 1.828 40.840 39.000 0.021 0.000 1.209 39 F HN -0.117 nan 8.300 nan 0.000 0.462 40 E N 0.450 120.773 120.200 0.204 0.000 2.248 40 E HA 0.666 5.016 4.350 0.000 0.000 0.267 40 E C -1.762 174.901 176.600 0.105 0.000 0.877 40 E CA -1.092 55.384 56.400 0.127 0.000 0.759 40 E CB 2.215 31.962 29.700 0.078 0.000 1.182 40 E HN 0.346 nan 8.360 nan 0.000 0.418 41 V N 3.147 123.106 119.914 0.075 0.000 2.555 41 V HA 0.112 4.233 4.120 0.000 0.000 0.286 41 V C 0.941 177.062 176.094 0.044 0.000 1.044 41 V CA -0.007 62.322 62.300 0.048 0.000 1.026 41 V CB 0.922 32.765 31.823 0.035 0.000 0.981 41 V HN 0.783 nan 8.190 nan 0.000 0.480 42 V N 0.894 120.830 119.914 0.037 0.000 3.451 42 V HA 0.712 4.832 4.120 0.000 0.000 0.288 42 V C 0.551 176.664 176.094 0.032 0.000 1.502 42 V CA 0.566 62.887 62.300 0.036 0.000 1.026 42 V CB 0.320 32.164 31.823 0.036 0.000 0.840 42 V HN 0.962 nan 8.190 nan 0.000 0.437 43 G N 0.473 109.286 108.800 0.022 0.000 2.742 43 G HA2 0.704 4.664 3.960 0.000 0.000 0.296 43 G HA3 0.704 4.664 3.960 0.000 0.000 0.296 43 G C -1.871 173.036 174.900 0.012 0.000 1.436 43 G CA -0.686 44.423 45.100 0.016 0.000 0.928 43 G HN 0.212 nan 8.290 nan 0.000 0.520 44 L N 0.834 122.070 121.223 0.021 0.000 2.436 44 L HA 0.794 5.134 4.340 0.000 0.000 0.268 44 L C -0.020 176.863 176.870 0.022 0.000 0.974 44 L CA -0.947 53.904 54.840 0.019 0.000 0.826 44 L CB 2.374 44.451 42.059 0.030 0.000 1.291 44 L HN 0.780 nan 8.230 nan 0.000 0.406 45 A N 2.495 125.321 122.820 0.010 0.000 2.371 45 A HA 0.985 5.305 4.320 0.000 0.000 0.311 45 A C -0.875 176.723 177.584 0.023 0.000 1.068 45 A CA -0.257 51.789 52.037 0.016 0.000 0.744 45 A CB 1.851 20.846 19.000 -0.009 0.000 1.239 45 A HN 0.790 nan 8.150 nan 0.000 0.435 46 A N 0.770 123.614 122.820 0.040 0.000 2.532 46 A HA 0.767 5.087 4.320 0.000 0.000 0.290 46 A C 0.898 178.514 177.584 0.053 0.000 1.143 46 A CA -0.040 52.026 52.037 0.049 0.000 0.728 46 A CB 0.832 19.871 19.000 0.065 0.000 1.317 46 A HN 1.683 nan 8.150 nan 0.000 0.414 47 G N -1.112 107.723 108.800 0.059 0.000 2.430 47 G HA2 0.389 4.349 3.960 0.000 0.000 0.216 47 G HA3 0.389 4.349 3.960 0.000 0.000 0.216 47 G C 1.162 176.093 174.900 0.051 0.000 1.146 47 G CA 1.338 46.469 45.100 0.051 0.000 0.793 47 G HN 2.353 nan 8.290 nan 0.000 0.537 48 G N -0.632 108.202 108.800 0.056 0.000 2.352 48 G HA2 0.014 3.974 3.960 0.000 0.000 0.204 48 G HA3 0.014 3.974 3.960 0.000 0.000 0.204 48 G C 1.505 176.407 174.900 0.004 0.000 1.004 48 G CA 0.948 46.073 45.100 0.041 0.000 0.648 48 G HN 1.114 nan 8.290 nan 0.000 0.491 49 A N 0.088 122.889 122.820 -0.032 0.000 1.972 49 A HA 0.164 4.484 4.320 0.000 0.000 0.219 49 A C 1.332 178.711 177.584 -0.342 0.000 1.169 49 A CA 2.052 53.981 52.037 -0.180 0.000 0.635 49 A CB -0.426 18.440 19.000 -0.223 0.000 0.810 49 A HN 0.764 nan 8.150 nan 0.000 0.446 50 H N -1.365 117.726 119.070 0.034 0.000 2.507 50 H HA 0.353 4.910 4.556 0.000 0.000 0.271 50 H C 0.931 176.281 175.328 0.037 0.000 1.224 50 H CA -0.369 55.703 56.048 0.040 0.000 1.000 50 H CB 0.434 30.223 29.762 0.045 0.000 1.663 50 H HN 0.311 nan 8.280 nan 0.000 0.548 51 L N 0.258 121.529 121.223 0.080 0.000 2.079 51 L HA -0.175 4.165 4.340 0.000 0.000 0.210 51 L C 1.253 178.163 176.870 0.067 0.000 1.081 51 L CA 1.889 56.767 54.840 0.063 0.000 0.752 51 L CB 0.021 42.100 42.059 0.033 0.000 0.896 51 L HN 0.333 nan 8.230 nan 0.000 0.433 52 D N -1.048 119.394 120.400 0.069 0.000 2.123 52 D HA -0.170 4.470 4.640 0.000 0.000 0.196 52 D C 2.111 178.456 176.300 0.074 0.000 0.992 52 D CA 1.853 55.891 54.000 0.063 0.000 0.833 52 D CB -0.443 40.394 40.800 0.061 0.000 0.954 52 D HN 0.388 nan 8.370 nan 0.000 0.455 53 T N 1.065 115.682 114.554 0.105 0.000 2.746 53 T HA -0.141 4.210 4.350 0.000 0.000 0.267 53 T C 1.922 176.664 174.700 0.070 0.000 1.039 53 T CA 0.583 62.738 62.100 0.091 0.000 1.142 53 T CB -0.380 68.552 68.868 0.106 0.000 0.866 53 T HN 0.043 nan 8.240 nan 0.000 0.444 54 L N 0.973 122.241 121.223 0.075 0.000 2.046 54 L HA 0.028 4.368 4.340 0.000 0.000 0.208 54 L C 2.108 179.008 176.870 0.050 0.000 1.077 54 L CA 1.581 56.458 54.840 0.061 0.000 0.747 54 L CB -0.650 41.448 42.059 0.066 0.000 0.896 54 L HN 0.255 nan 8.230 nan 0.000 0.432 55 L N -1.124 120.127 121.223 0.048 0.000 2.141 55 L HA -0.127 4.213 4.340 0.000 0.000 0.209 55 L C 2.699 179.590 176.870 0.034 0.000 1.094 55 L CA 0.872 55.734 54.840 0.038 0.000 0.763 55 L CB -0.572 41.506 42.059 0.032 0.000 0.908 55 L HN 0.226 nan 8.230 nan 0.000 0.437 56 R N -0.019 120.503 120.500 0.037 0.000 2.092 56 R HA -0.139 4.201 4.340 0.000 0.000 0.231 56 R C 2.253 178.572 176.300 0.032 0.000 1.119 56 R CA 1.147 57.266 56.100 0.032 0.000 0.970 56 R CB -0.327 29.994 30.300 0.034 0.000 0.864 56 R HN 0.514 nan 8.270 nan 0.000 0.440 57 Q N 0.338 120.159 119.800 0.036 0.000 2.084 57 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 57 Q C 2.220 178.239 176.000 0.032 0.000 0.978 57 Q CA 1.399 57.222 55.803 0.033 0.000 0.844 57 Q CB -0.214 28.545 28.738 0.034 0.000 0.898 57 Q HN 0.267 nan 8.270 nan 0.000 0.426 58 R N 0.702 121.222 120.500 0.035 0.000 2.083 58 R HA -0.176 4.165 4.340 0.000 0.000 0.237 58 R C 2.155 178.472 176.300 0.029 0.000 1.137 58 R CA 1.493 57.613 56.100 0.034 0.000 0.951 58 R CB -0.318 30.004 30.300 0.036 0.000 0.851 58 R HN 0.242 nan 8.270 nan 0.000 0.434 59 A N 0.310 123.146 122.820 0.026 0.000 1.969 59 A HA -0.168 4.152 4.320 0.000 0.000 0.218 59 A C 2.022 179.619 177.584 0.022 0.000 1.169 59 A CA 1.393 53.443 52.037 0.022 0.000 0.635 59 A CB -0.309 18.703 19.000 0.020 0.000 0.810 59 A HN 0.538 nan 8.150 nan 0.000 0.445 60 Q N -0.977 118.837 119.800 0.024 0.000 2.123 60 Q HA -0.079 4.262 4.340 0.000 0.000 0.196 60 Q C 2.263 178.278 176.000 0.025 0.000 0.958 60 Q CA 1.797 57.614 55.803 0.023 0.000 0.841 60 Q CB -0.166 28.586 28.738 0.024 0.000 0.915 60 Q HN 0.841 nan 8.270 nan 0.000 0.455 61 T N -3.912 110.658 114.554 0.027 0.000 3.054 61 T HA 0.204 4.554 4.350 0.000 0.000 0.259 61 T C 1.518 176.236 174.700 0.029 0.000 1.092 61 T CA 0.647 62.764 62.100 0.029 0.000 1.121 61 T CB 0.383 69.270 68.868 0.031 0.000 0.912 61 T HN 0.437 nan 8.240 nan 0.000 0.489 62 G N 0.859 109.676 108.800 0.028 0.000 2.179 62 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 62 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 62 G C 0.129 175.047 174.900 0.031 0.000 0.977 62 G CA 0.017 45.133 45.100 0.027 0.000 0.641 62 G HN 0.727 nan 8.290 nan 0.000 0.533 63 V N 2.321 122.255 119.914 0.034 0.000 2.421 63 V HA 0.384 4.504 4.120 0.000 0.000 0.271 63 V C 1.770 177.890 176.094 0.044 0.000 1.031 63 V CA 1.245 63.569 62.300 0.040 0.000 1.032 63 V CB 0.883 32.730 31.823 0.040 0.000 1.009 63 V HN 0.684 nan 8.190 nan 0.000 0.477 64 T N 0.656 115.238 114.554 0.047 0.000 3.044 64 T HA 0.040 4.390 4.350 0.000 0.000 0.250 64 T C 0.912 175.655 174.700 0.072 0.000 1.081 64 T CA -0.024 62.106 62.100 0.050 0.000 1.040 64 T CB -0.280 68.610 68.868 0.037 0.000 0.962 64 T HN 0.439 nan 8.240 nan 0.000 0.506 65 N N 2.629 121.380 118.700 0.085 0.000 2.671 65 N HA 0.284 5.024 4.740 0.000 0.000 0.274 65 N C -0.399 175.194 175.510 0.139 0.000 1.188 65 N CA -0.636 52.494 53.050 0.134 0.000 1.065 65 N CB -0.678 37.880 38.487 0.118 0.000 1.415 65 N HN 0.741 nan 8.380 nan 0.000 0.511 66 I N -1.275 119.394 120.570 0.165 0.000 2.785 66 I HA 0.897 5.067 4.170 0.000 0.000 0.302 66 I C -0.831 175.408 176.117 0.204 0.000 1.069 66 I CA -1.401 59.983 61.300 0.141 0.000 1.045 66 I CB 2.296 40.354 38.000 0.097 0.000 1.236 66 I HN 0.169 nan 8.210 nan 0.000 0.429 67 A N 4.594 127.500 122.820 0.144 0.000 2.371 67 A HA 0.836 5.156 4.320 0.000 0.000 0.311 67 A C -1.075 176.579 177.584 0.115 0.000 1.068 67 A CA -0.640 51.490 52.037 0.155 0.000 0.744 67 A CB 1.837 20.883 19.000 0.076 0.000 1.239 67 A HN 0.598 nan 8.150 nan 0.000 0.435 68 V N 2.219 122.215 119.914 0.137 0.000 2.443 68 V HA 0.487 4.607 4.120 0.000 0.000 0.293 68 V C 1.103 177.266 176.094 0.114 0.000 1.021 68 V CA 0.139 62.506 62.300 0.112 0.000 0.848 68 V CB 1.001 32.889 31.823 0.108 0.000 0.998 68 V HN 1.235 nan 8.190 nan 0.000 0.424 69 A N 3.108 125.976 122.820 0.081 0.000 1.898 69 A HA -0.092 4.228 4.320 0.000 0.000 0.216 69 A C 1.056 178.688 177.584 0.080 0.000 1.181 69 A CA 1.224 53.303 52.037 0.070 0.000 0.620 69 A CB -0.315 18.713 19.000 0.046 0.000 0.819 69 A HN 0.859 nan 8.150 nan 0.000 0.442 70 D N -0.254 120.191 120.400 0.075 0.000 2.338 70 D HA 0.189 4.829 4.640 0.000 0.000 0.255 70 D C 1.133 177.491 176.300 0.096 0.000 1.237 70 D CA -0.075 53.972 54.000 0.078 0.000 0.883 70 D CB 0.534 41.374 40.800 0.066 0.000 1.087 70 D HN 0.173 nan 8.370 nan 0.000 0.485 71 E N 2.155 122.421 120.200 0.110 0.000 2.085 71 E HA -0.242 4.108 4.350 0.000 0.000 0.194 71 E C 1.503 178.148 176.600 0.075 0.000 0.994 71 E CA 1.006 57.469 56.400 0.105 0.000 0.801 71 E CB -0.129 29.642 29.700 0.118 0.000 0.743 71 E HN 0.697 nan 8.360 nan 0.000 0.453 72 H N -0.234 118.837 119.070 0.003 0.000 2.352 72 H HA -0.103 4.453 4.556 0.000 0.000 0.299 72 H C 1.819 177.137 175.328 -0.017 0.000 1.097 72 H CA 1.611 57.653 56.048 -0.009 0.000 1.311 72 H CB 0.258 30.017 29.762 -0.006 0.000 1.377 72 H HN 0.154 nan 8.280 nan 0.000 0.504 73 A N 0.612 123.476 122.820 0.073 0.000 1.969 73 A HA 0.003 4.323 4.320 0.000 0.000 0.218 73 A C 2.568 180.138 177.584 -0.023 0.000 1.169 73 A CA 1.193 53.241 52.037 0.017 0.000 0.635 73 A CB -0.603 18.420 19.000 0.038 0.000 0.810 73 A HN 0.504 nan 8.150 nan 0.000 0.445 74 A N -0.904 121.900 122.820 -0.027 0.000 2.015 74 A HA -0.108 4.212 4.320 0.000 0.000 0.219 74 A C 1.931 179.424 177.584 -0.152 0.000 1.163 74 A CA 1.300 53.290 52.037 -0.078 0.000 0.646 74 A CB -0.355 18.595 19.000 -0.083 0.000 0.806 74 A HN 0.466 nan 8.150 nan 0.000 0.448 75 Q N 0.148 119.855 119.800 -0.155 0.000 2.297 75 Q HA -0.150 4.190 4.340 0.000 0.000 0.208 75 Q C 1.721 177.643 176.000 -0.130 0.000 0.981 75 Q CA 1.183 56.886 55.803 -0.167 0.000 0.876 75 Q CB -0.394 28.218 28.738 -0.210 0.000 0.921 75 Q HN 0.715 nan 8.270 nan 0.000 0.446 76 R N -0.274 120.163 120.500 -0.105 0.000 2.307 76 R HA 0.030 4.370 4.340 0.000 0.000 0.199 76 R C 1.680 177.946 176.300 -0.057 0.000 1.000 76 R CA 0.503 56.559 56.100 -0.073 0.000 1.023 76 R CB 0.378 30.646 30.300 -0.052 0.000 0.908 76 R HN 0.068 nan 8.270 nan 0.000 0.473 77 V N -2.134 117.741 119.914 -0.066 0.000 2.948 77 V HA 0.266 4.386 4.120 0.000 0.000 0.234 77 V C 1.514 177.578 176.094 -0.050 0.000 1.205 77 V CA 0.867 63.140 62.300 -0.046 0.000 1.234 77 V CB 0.400 32.207 31.823 -0.027 0.000 1.020 77 V HN 0.425 nan 8.190 nan 0.000 0.491 78 G N 1.905 110.658 108.800 -0.079 0.000 2.234 78 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 78 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 78 G C 0.259 175.136 174.900 -0.039 0.000 0.987 78 G CA 0.655 45.714 45.100 -0.069 0.000 0.625 78 G HN 0.734 nan 8.290 nan 0.000 0.532 79 D N -0.036 120.352 120.400 -0.020 0.000 2.740 79 D HA 0.297 4.937 4.640 0.000 0.000 0.301 79 D C 0.414 176.730 176.300 0.025 0.000 1.408 79 D CA -0.634 53.367 54.000 0.002 0.000 0.808 79 D CB -0.259 40.541 40.800 0.001 0.000 1.128 79 D HN 0.271 nan 8.370 nan 0.000 0.465 80 I N 2.376 122.978 120.570 0.053 0.000 2.322 80 I HA 0.152 4.322 4.170 0.000 0.000 0.292 80 I C -1.173 175.024 176.117 0.134 0.000 1.060 80 I CA -1.915 59.455 61.300 0.115 0.000 1.309 80 I CB 0.926 39.023 38.000 0.163 0.000 1.415 80 I HN -0.163 nan 8.210 nan 0.000 0.492 81 P HA -0.133 nan 4.420 nan 0.000 0.218 81 P C -0.331 176.625 177.300 -0.573 0.000 1.149 81 P CA 1.471 64.395 63.100 -0.292 0.000 0.817 81 P CB 0.124 31.606 31.700 -0.362 0.000 0.785 82 Y N 0.719 121.017 120.300 -0.003 0.000 2.326 82 Y HA 0.387 4.937 4.550 0.000 0.000 0.331 82 Y C 0.955 176.839 175.900 -0.027 0.000 0.962 82 Y CA -0.975 57.071 58.100 -0.091 0.000 1.167 82 Y CB 1.077 39.509 38.460 -0.047 0.000 1.148 82 Y HN 0.071 nan 8.280 nan 0.000 0.463 83 H N 0.626 119.769 119.070 0.121 0.000 2.928 83 H HA 0.841 5.397 4.556 0.000 0.000 0.371 83 H C 0.220 175.590 175.328 0.070 0.000 1.186 83 H CA -1.117 54.980 56.048 0.080 0.000 1.134 83 H CB 1.894 31.683 29.762 0.044 0.000 1.824 83 H HN 0.870 nan 8.280 nan 0.000 0.554 84 G N 0.916 109.832 108.800 0.194 0.000 2.627 84 G HA2 -0.167 3.793 3.960 0.000 0.000 0.214 84 G HA3 -0.167 3.793 3.960 0.000 0.000 0.214 84 G C -0.413 174.531 174.900 0.074 0.000 1.331 84 G CA -0.307 44.867 45.100 0.123 0.000 0.891 84 G HN 1.294 nan 8.290 nan 0.000 0.539 85 S N -0.271 115.461 115.700 0.053 0.000 2.565 85 S HA 0.503 4.973 4.470 0.000 0.000 0.276 85 S C 0.597 175.212 174.600 0.024 0.000 1.326 85 S CA 1.019 59.240 58.200 0.035 0.000 1.045 85 S CB 1.571 64.787 63.200 0.027 0.000 0.918 85 S HN 1.673 nan 8.310 nan 0.000 0.505 86 D N 0.409 120.818 120.400 0.014 0.000 3.076 86 D HA -0.188 4.452 4.640 0.000 0.000 0.218 86 D C 1.093 177.392 176.300 -0.001 0.000 1.156 86 D CA 1.175 55.176 54.000 0.001 0.000 0.921 86 D CB -1.486 39.315 40.800 0.001 0.000 1.113 86 D HN 0.732 nan 8.370 nan 0.000 0.418 87 A N 0.313 123.144 122.820 0.018 0.000 1.902 87 A HA 0.110 4.430 4.320 0.000 0.000 0.217 87 A C 2.476 180.029 177.584 -0.051 0.000 1.181 87 A CA 2.693 54.752 52.037 0.037 0.000 0.623 87 A CB -0.516 18.538 19.000 0.089 0.000 0.818 87 A HN 0.488 nan 8.150 nan 0.000 0.443 88 A N -0.997 121.796 122.820 -0.045 0.000 1.898 88 A HA -0.063 4.257 4.320 0.000 0.000 0.216 88 A C 2.303 179.815 177.584 -0.119 0.000 1.181 88 A CA 2.251 54.239 52.037 -0.082 0.000 0.620 88 A CB -1.276 17.698 19.000 -0.043 0.000 0.819 88 A HN 0.433 nan 8.150 nan 0.000 0.442 89 T N -0.166 114.337 114.554 -0.086 0.000 2.684 89 T HA -0.170 4.180 4.350 0.000 0.000 0.267 89 T C 2.069 176.695 174.700 -0.125 0.000 1.036 89 T CA 1.666 63.716 62.100 -0.084 0.000 1.148 89 T CB -0.259 68.579 68.868 -0.049 0.000 0.863 89 T HN 0.509 nan 8.240 nan 0.000 0.436 90 R N 0.374 120.790 120.500 -0.140 0.000 2.081 90 R HA 0.045 4.385 4.340 0.000 0.000 0.235 90 R C 2.538 178.559 176.300 -0.465 0.000 1.131 90 R CA 1.025 57.019 56.100 -0.177 0.000 0.960 90 R CB -0.612 29.676 30.300 -0.020 0.000 0.856 90 R HN 0.326 nan 8.270 nan 0.000 0.436 91 L N 0.758 121.533 121.223 -0.748 0.000 2.083 91 L HA -0.163 4.177 4.340 0.000 0.000 0.209 91 L C 2.046 178.685 176.870 -0.385 0.000 1.083 91 L CA 1.163 55.464 54.840 -0.898 0.000 0.752 91 L CB -0.047 41.614 42.059 -0.664 0.000 0.899 91 L HN -0.034 nan 8.230 nan 0.000 0.433 92 V N -0.001 119.766 119.914 -0.244 0.000 2.358 92 V HA -0.258 3.862 4.120 0.000 0.000 0.246 92 V C 2.349 178.379 176.094 -0.106 0.000 1.047 92 V CA 2.078 64.295 62.300 -0.137 0.000 1.035 92 V CB -0.489 31.275 31.823 -0.099 0.000 0.658 92 V HN 0.495 nan 8.190 nan 0.000 0.452 93 E N -0.422 119.713 120.200 -0.108 0.000 2.204 93 E HA -0.225 4.125 4.350 0.000 0.000 0.194 93 E C 1.849 178.423 176.600 -0.043 0.000 0.989 93 E CA 0.986 57.348 56.400 -0.062 0.000 0.824 93 E CB -0.010 29.661 29.700 -0.047 0.000 0.756 93 E HN 0.625 nan 8.360 nan 0.000 0.477 94 Q N -0.449 119.312 119.800 -0.065 0.000 2.194 94 Q HA 0.123 4.463 4.340 0.000 0.000 0.214 94 Q C -0.741 175.266 176.000 0.011 0.000 0.838 94 Q CA 0.077 55.880 55.803 0.001 0.000 0.972 94 Q CB 1.611 30.398 28.738 0.083 0.000 1.131 94 Q HN -0.053 nan 8.270 nan 0.000 0.498 95 T N 0.553 115.090 114.554 -0.027 0.000 2.792 95 T HA 0.242 4.592 4.350 0.000 0.000 0.280 95 T C -0.604 174.095 174.700 -0.003 0.000 0.990 95 T CA -0.602 61.495 62.100 -0.006 0.000 0.960 95 T CB 1.722 70.575 68.868 -0.026 0.000 0.939 95 T HN 0.041 nan 8.240 nan 0.000 0.439 96 E N 1.819 122.026 120.200 0.012 0.000 2.299 96 E HA 0.487 4.837 4.350 0.000 0.000 0.272 96 E C -0.417 176.192 176.600 0.015 0.000 1.043 96 E CA -0.280 56.127 56.400 0.013 0.000 0.895 96 E CB 0.517 30.227 29.700 0.018 0.000 1.011 96 E HN 0.752 nan 8.360 nan 0.000 0.432 97 A N 3.700 126.529 122.820 0.014 0.000 2.594 97 A HA 0.309 4.629 4.320 0.000 0.000 0.291 97 A C -0.388 177.211 177.584 0.026 0.000 1.105 97 A CA -0.722 51.328 52.037 0.021 0.000 0.694 97 A CB 1.394 20.401 19.000 0.012 0.000 1.291 97 A HN 0.603 nan 8.150 nan 0.000 0.410 98 D N -0.562 119.863 120.400 0.041 0.000 2.324 98 D HA 0.198 4.838 4.640 0.000 0.000 0.212 98 D C 0.103 176.434 176.300 0.052 0.000 0.984 98 D CA 1.229 55.258 54.000 0.049 0.000 0.885 98 D CB 0.652 41.491 40.800 0.065 0.000 0.996 98 D HN 0.231 nan 8.370 nan 0.000 0.505 99 V N 1.692 121.637 119.914 0.053 0.000 2.588 99 V HA 0.321 4.441 4.120 0.000 0.000 0.304 99 V C -0.203 175.896 176.094 0.009 0.000 1.042 99 V CA -0.861 61.462 62.300 0.039 0.000 0.877 99 V CB 2.785 34.644 31.823 0.059 0.000 0.996 99 V HN -0.240 nan 8.190 nan 0.000 0.425 100 V N 5.580 125.489 119.914 -0.009 0.000 2.334 100 V HA 0.384 4.504 4.120 0.000 0.000 0.281 100 V C -0.267 175.804 176.094 -0.038 0.000 1.016 100 V CA -0.505 61.779 62.300 -0.026 0.000 0.832 100 V CB 1.488 33.291 31.823 -0.032 0.000 0.999 100 V HN 0.693 nan 8.190 nan 0.000 0.439 101 L N 5.354 126.549 121.223 -0.046 0.000 2.283 101 L HA 0.474 4.814 4.340 0.000 0.000 0.287 101 L C 0.198 177.037 176.870 -0.051 0.000 1.073 101 L CA 0.387 55.193 54.840 -0.056 0.000 0.822 101 L CB 0.565 42.581 42.059 -0.071 0.000 1.186 101 L HN 0.609 nan 8.230 nan 0.000 0.436 102 N N 4.448 123.117 118.700 -0.052 0.000 2.558 102 N HA 0.395 5.135 4.740 0.000 0.000 0.233 102 N C -0.156 175.326 175.510 -0.046 0.000 1.038 102 N CA 0.213 53.234 53.050 -0.047 0.000 0.934 102 N CB 1.193 39.651 38.487 -0.048 0.000 1.175 102 N HN 0.695 nan 8.380 nan 0.000 0.512 103 A N 4.477 127.271 122.820 -0.043 0.000 2.713 103 A HA 0.307 4.628 4.320 0.000 0.000 0.296 103 A C 0.389 177.952 177.584 -0.035 0.000 1.255 103 A CA -0.405 51.607 52.037 -0.042 0.000 0.955 103 A CB -0.234 18.736 19.000 -0.049 0.000 1.149 103 A HN 0.571 nan 8.150 nan 0.000 0.538 104 L N -0.000 121.205 121.223 -0.030 0.000 2.452 104 L HA 0.277 4.617 4.340 0.000 0.000 0.267 104 L C -0.083 176.774 176.870 -0.020 0.000 1.188 104 L CA -0.358 54.469 54.840 -0.022 0.000 0.821 104 L CB 1.215 43.262 42.059 -0.019 0.000 1.102 104 L HN 0.044 nan 8.230 nan 0.000 0.470 105 V N 1.903 121.808 119.914 -0.014 0.000 2.427 105 V HA 0.656 4.777 4.120 0.000 0.000 0.286 105 V C 0.760 176.848 176.094 -0.011 0.000 1.034 105 V CA 0.417 62.709 62.300 -0.013 0.000 0.893 105 V CB 0.672 32.488 31.823 -0.012 0.000 0.982 105 V HN 1.060 nan 8.190 nan 0.000 0.452 106 G N 4.641 113.435 108.800 -0.011 0.000 2.552 106 G HA2 -0.059 3.901 3.960 0.000 0.000 0.265 106 G HA3 -0.059 3.901 3.960 0.000 0.000 0.265 106 G C 0.982 175.874 174.900 -0.013 0.000 1.234 106 G CA 0.184 45.277 45.100 -0.010 0.000 0.944 106 G HN 1.519 nan 8.290 nan 0.000 0.568 107 A N -0.464 122.348 122.820 -0.013 0.000 2.067 107 A HA 0.263 4.583 4.320 0.000 0.000 0.219 107 A C 2.529 180.104 177.584 -0.015 0.000 1.158 107 A CA 2.473 54.501 52.037 -0.016 0.000 0.661 107 A CB -0.506 18.483 19.000 -0.017 0.000 0.801 107 A HN 1.834 nan 8.150 nan 0.000 0.452 108 L N -3.374 117.842 121.223 -0.012 0.000 2.599 108 L HA 0.342 4.683 4.340 0.000 0.000 0.230 108 L C 1.683 178.544 176.870 -0.015 0.000 1.141 108 L CA 0.928 55.762 54.840 -0.011 0.000 0.877 108 L CB -0.391 41.666 42.059 -0.005 0.000 1.009 108 L HN 0.095 nan 8.230 nan 0.000 0.447 109 G N 0.293 109.082 108.800 -0.018 0.000 2.623 109 G HA2 -0.099 3.861 3.960 0.000 0.000 0.214 109 G HA3 -0.099 3.861 3.960 0.000 0.000 0.214 109 G C 1.307 176.190 174.900 -0.028 0.000 1.138 109 G CA 0.454 45.540 45.100 -0.024 0.000 0.794 109 G HN 0.316 nan 8.290 nan 0.000 0.535 110 L N 0.724 121.932 121.223 -0.025 0.000 2.027 110 L HA 0.130 4.470 4.340 0.000 0.000 0.206 110 L C 2.763 179.616 176.870 -0.027 0.000 1.074 110 L CA 1.597 56.422 54.840 -0.026 0.000 0.745 110 L CB -0.466 41.579 42.059 -0.023 0.000 0.898 110 L HN 0.096 nan 8.230 nan 0.000 0.433 111 R N -0.452 120.034 120.500 -0.024 0.000 2.073 111 R HA -0.064 4.276 4.340 0.000 0.000 0.229 111 R C -0.203 176.078 176.300 -0.032 0.000 1.120 111 R CA 1.497 57.583 56.100 -0.025 0.000 0.967 111 R CB -1.631 28.657 30.300 -0.020 0.000 0.862 111 R HN 0.401 nan 8.270 nan 0.000 0.436 112 P HA -0.089 nan 4.420 nan 0.000 0.216 112 P C 1.057 178.331 177.300 -0.044 0.000 1.150 112 P CA 1.384 64.458 63.100 -0.044 0.000 0.837 112 P CB -0.025 31.648 31.700 -0.045 0.000 0.786 113 T N -0.169 114.360 114.554 -0.041 0.000 2.652 113 T HA -0.143 4.207 4.350 0.000 0.000 0.267 113 T C 1.721 176.396 174.700 -0.042 0.000 1.039 113 T CA 1.236 63.310 62.100 -0.045 0.000 1.153 113 T CB -0.957 67.883 68.868 -0.047 0.000 0.863 113 T HN 0.056 nan 8.240 nan 0.000 0.428 114 L N 0.583 121.784 121.223 -0.037 0.000 2.017 114 L HA -0.095 4.246 4.340 0.000 0.000 0.208 114 L C 3.076 179.927 176.870 -0.031 0.000 1.073 114 L CA 1.279 56.099 54.840 -0.032 0.000 0.745 114 L CB -0.744 41.299 42.059 -0.027 0.000 0.894 114 L HN 0.245 nan 8.230 nan 0.000 0.432 115 A N 0.175 122.975 122.820 -0.033 0.000 1.883 115 A HA -0.241 4.079 4.320 0.000 0.000 0.217 115 A C 2.529 180.091 177.584 -0.036 0.000 1.186 115 A CA 2.006 54.022 52.037 -0.035 0.000 0.624 115 A CB -0.810 18.163 19.000 -0.044 0.000 0.822 115 A HN 0.426 nan 8.150 nan 0.000 0.444 116 A N -0.396 122.400 122.820 -0.040 0.000 1.933 116 A HA -0.045 4.275 4.320 0.000 0.000 0.218 116 A C 2.164 179.729 177.584 -0.032 0.000 1.175 116 A CA 1.526 53.540 52.037 -0.038 0.000 0.628 116 A CB -0.602 18.374 19.000 -0.041 0.000 0.814 116 A HN 0.492 nan 8.150 nan 0.000 0.444 117 L N -0.904 120.299 121.223 -0.034 0.000 2.093 117 L HA -0.167 4.173 4.340 0.000 0.000 0.208 117 L C 2.599 179.454 176.870 -0.024 0.000 1.085 117 L CA 1.819 56.640 54.840 -0.031 0.000 0.755 117 L CB -0.387 41.650 42.059 -0.037 0.000 0.904 117 L HN 0.433 nan 8.230 nan 0.000 0.435 118 K N 0.105 120.491 120.400 -0.023 0.000 2.148 118 K HA -0.156 4.164 4.320 0.000 0.000 0.204 118 K C 2.113 178.704 176.600 -0.014 0.000 1.050 118 K CA 1.674 57.950 56.287 -0.018 0.000 0.942 118 K CB -0.012 32.477 32.500 -0.018 0.000 0.724 118 K HN 0.394 nan 8.250 nan 0.000 0.446 119 T N -2.849 111.695 114.554 -0.016 0.000 2.929 119 T HA -0.005 4.345 4.350 0.000 0.000 0.271 119 T C 1.444 176.140 174.700 -0.007 0.000 1.085 119 T CA 1.086 63.179 62.100 -0.012 0.000 1.125 119 T CB -0.386 68.473 68.868 -0.016 0.000 0.874 119 T HN 0.418 nan 8.240 nan 0.000 0.494 120 G N 1.116 109.911 108.800 -0.008 0.000 2.159 120 G HA2 -0.039 3.921 3.960 0.000 0.000 0.256 120 G HA3 -0.039 3.921 3.960 0.000 0.000 0.256 120 G C 0.277 175.179 174.900 0.002 0.000 0.977 120 G CA 0.055 45.153 45.100 -0.003 0.000 0.652 120 G HN 1.231 nan 8.290 nan 0.000 0.531 121 A N -0.324 122.496 122.820 -0.000 0.000 2.366 121 A HA 0.723 5.043 4.320 0.000 0.000 0.249 121 A C 0.801 178.389 177.584 0.005 0.000 1.084 121 A CA 0.404 52.445 52.037 0.007 0.000 0.794 121 A CB 0.291 19.292 19.000 0.002 0.000 1.034 121 A HN 0.730 nan 8.150 nan 0.000 0.491 122 R N -0.086 120.426 120.500 0.020 0.000 2.537 122 R HA 0.300 4.640 4.340 0.000 0.000 0.280 122 R C -0.881 175.415 176.300 -0.005 0.000 1.058 122 R CA -0.198 55.912 56.100 0.017 0.000 1.057 122 R CB 0.180 30.512 30.300 0.054 0.000 0.973 122 R HN 0.556 nan 8.270 nan 0.000 0.438 123 L N 4.362 125.566 121.223 -0.032 0.000 2.276 123 L HA 0.433 4.773 4.340 0.000 0.000 0.286 123 L C -0.811 176.018 176.870 -0.069 0.000 1.024 123 L CA -0.068 54.742 54.840 -0.050 0.000 0.826 123 L CB 1.343 43.365 42.059 -0.061 0.000 1.211 123 L HN 0.737 nan 8.230 nan 0.000 0.422 124 A N 5.636 128.422 122.820 -0.058 0.000 2.437 124 A HA 0.457 4.777 4.320 0.000 0.000 0.303 124 A C -0.639 176.899 177.584 -0.076 0.000 1.324 124 A CA -0.322 51.672 52.037 -0.071 0.000 0.983 124 A CB -0.327 18.639 19.000 -0.056 0.000 1.142 124 A HN 0.685 nan 8.150 nan 0.000 0.541 125 L N 3.418 124.585 121.223 -0.093 0.000 2.262 125 L HA 0.630 4.970 4.340 0.000 0.000 0.288 125 L C 0.816 177.647 176.870 -0.065 0.000 1.035 125 L CA 0.458 55.247 54.840 -0.085 0.000 0.820 125 L CB 1.217 43.211 42.059 -0.108 0.000 1.204 125 L HN 0.638 nan 8.230 nan 0.000 0.424 126 A N 4.017 126.807 122.820 -0.050 0.000 2.055 126 A HA 0.103 4.423 4.320 0.000 0.000 0.205 126 A C 0.984 178.553 177.584 -0.026 0.000 1.235 126 A CA -0.020 51.997 52.037 -0.034 0.000 0.822 126 A CB -0.305 18.671 19.000 -0.040 0.000 0.903 126 A HN 0.751 nan 8.150 nan 0.000 0.473 127 N N 0.925 119.605 118.700 -0.034 0.000 2.414 127 N HA -0.038 4.702 4.740 0.000 0.000 0.268 127 N C 0.504 176.001 175.510 -0.022 0.000 1.286 127 N CA 0.258 53.292 53.050 -0.028 0.000 0.896 127 N CB 0.526 38.993 38.487 -0.032 0.000 1.093 127 N HN 0.354 nan 8.380 nan 0.000 0.480 128 K N 2.926 123.323 120.400 -0.006 0.000 2.103 128 K HA -0.125 4.195 4.320 0.000 0.000 0.204 128 K C 1.153 177.754 176.600 0.002 0.000 1.052 128 K CA 1.186 57.478 56.287 0.008 0.000 0.945 128 K CB 0.154 32.672 32.500 0.029 0.000 0.722 128 K HN 0.520 nan 8.250 nan 0.000 0.443 129 E N 0.538 120.736 120.200 -0.003 0.000 2.204 129 E HA -0.108 4.242 4.350 0.000 0.000 0.195 129 E C 1.851 178.442 176.600 -0.015 0.000 0.990 129 E CA 0.919 57.316 56.400 -0.004 0.000 0.821 129 E CB -0.076 29.619 29.700 -0.009 0.000 0.750 129 E HN 0.094 nan 8.360 nan 0.000 0.477 130 S N -0.037 115.648 115.700 -0.026 0.000 2.374 130 S HA -0.150 4.320 4.470 0.000 0.000 0.227 130 S C 1.781 176.356 174.600 -0.042 0.000 1.037 130 S CA 1.077 59.255 58.200 -0.038 0.000 1.024 130 S CB -0.124 63.046 63.200 -0.050 0.000 0.861 130 S HN 0.205 nan 8.310 nan 0.000 0.456 131 L N 0.071 121.266 121.223 -0.046 0.000 2.286 131 L HA 0.114 4.454 4.340 0.000 0.000 0.203 131 L C 2.182 179.044 176.870 -0.015 0.000 1.068 131 L CA 0.292 55.101 54.840 -0.052 0.000 0.811 131 L CB -0.288 41.712 42.059 -0.098 0.000 0.989 131 L HN 0.139 nan 8.230 nan 0.000 0.467 132 V N 0.167 120.084 119.914 0.005 0.000 2.407 132 V HA -0.236 3.884 4.120 0.000 0.000 0.248 132 V C 2.432 178.545 176.094 0.032 0.000 1.055 132 V CA 2.022 64.344 62.300 0.037 0.000 1.049 132 V CB -0.658 31.204 31.823 0.065 0.000 0.662 132 V HN 0.471 nan 8.190 nan 0.000 0.455 133 A N -0.102 122.726 122.820 0.013 0.000 1.944 133 A HA 0.286 4.606 4.320 0.000 0.000 0.207 133 A C 2.299 179.880 177.584 -0.006 0.000 1.265 133 A CA 0.990 53.028 52.037 0.001 0.000 0.712 133 A CB -0.891 18.102 19.000 -0.011 0.000 0.915 133 A HN 0.453 nan 8.150 nan 0.000 0.470 134 G N -0.748 108.045 108.800 -0.012 0.000 2.484 134 G HA2 0.279 4.239 3.960 0.000 0.000 0.218 134 G HA3 0.279 4.239 3.960 0.000 0.000 0.218 134 G C 1.423 176.316 174.900 -0.012 0.000 1.130 134 G CA 0.980 46.071 45.100 -0.015 0.000 0.784 134 G HN 1.267 nan 8.290 nan 0.000 0.543 135 G N 0.807 109.601 108.800 -0.010 0.000 2.684 135 G HA2 -0.465 3.495 3.960 0.000 0.000 0.358 135 G HA3 -0.465 3.495 3.960 0.000 0.000 0.358 135 G C 2.027 176.920 174.900 -0.011 0.000 1.164 135 G CA 2.890 47.989 45.100 -0.001 0.000 0.935 135 G HN 1.404 nan 8.290 nan 0.000 0.574 136 S N 0.374 116.075 115.700 0.002 0.000 2.406 136 S HA 0.190 4.660 4.470 0.000 0.000 0.228 136 S C 2.524 177.117 174.600 -0.012 0.000 1.020 136 S CA 1.557 59.755 58.200 -0.004 0.000 0.965 136 S CB -0.177 63.029 63.200 0.009 0.000 0.798 136 S HN 0.559 nan 8.310 nan 0.000 0.488 137 L N 0.962 122.180 121.223 -0.009 0.000 2.012 137 L HA -0.095 4.245 4.340 0.000 0.000 0.210 137 L C 2.705 179.561 176.870 -0.024 0.000 1.073 137 L CA 1.434 56.266 54.840 -0.013 0.000 0.748 137 L CB -0.604 41.449 42.059 -0.010 0.000 0.891 137 L HN 0.286 nan 8.230 nan 0.000 0.431 138 V N -0.367 119.528 119.914 -0.032 0.000 2.379 138 V HA -0.244 3.876 4.120 0.000 0.000 0.245 138 V C 2.330 178.391 176.094 -0.055 0.000 1.044 138 V CA 1.246 63.518 62.300 -0.045 0.000 1.036 138 V CB -0.204 31.586 31.823 -0.055 0.000 0.664 138 V HN 0.330 nan 8.190 nan 0.000 0.453 139 L N -0.404 120.786 121.223 -0.056 0.000 2.046 139 L HA -0.162 4.178 4.340 0.000 0.000 0.208 139 L C 2.783 179.621 176.870 -0.052 0.000 1.077 139 L CA 1.697 56.496 54.840 -0.067 0.000 0.747 139 L CB -0.548 41.469 42.059 -0.071 0.000 0.896 139 L HN 0.268 nan 8.230 nan 0.000 0.432 140 R N -0.278 120.199 120.500 -0.037 0.000 2.148 140 R HA -0.083 4.258 4.340 0.000 0.000 0.227 140 R C 2.236 178.519 176.300 -0.028 0.000 1.103 140 R CA 1.134 57.217 56.100 -0.029 0.000 0.983 140 R CB -0.275 30.014 30.300 -0.019 0.000 0.874 140 R HN 0.318 nan 8.270 nan 0.000 0.451 141 A N 0.929 123.730 122.820 -0.031 0.000 2.072 141 A HA 0.256 4.576 4.320 0.000 0.000 0.216 141 A C 1.011 178.574 177.584 -0.034 0.000 1.156 141 A CA 0.517 52.536 52.037 -0.029 0.000 0.701 141 A CB 0.131 19.113 19.000 -0.029 0.000 0.816 141 A HN 0.285 nan 8.150 nan 0.000 0.458 142 A N 0.036 122.829 122.820 -0.044 0.000 2.309 142 A HA 0.645 4.965 4.320 0.000 0.000 0.298 142 A C 0.261 177.818 177.584 -0.043 0.000 1.165 142 A CA -0.562 51.445 52.037 -0.050 0.000 0.821 142 A CB 0.280 19.237 19.000 -0.072 0.000 1.102 142 A HN 0.469 nan 8.150 nan 0.000 0.500 143 R N 1.369 121.849 120.500 -0.035 0.000 2.528 143 R HA 0.438 4.778 4.340 0.000 0.000 0.271 143 R C -2.529 173.754 176.300 -0.029 0.000 1.056 143 R CA -1.541 54.544 56.100 -0.025 0.000 1.117 143 R CB 0.274 30.566 30.300 -0.013 0.000 1.085 143 R HN 0.449 nan 8.270 nan 0.000 0.530 144 P HA 0.015 nan 4.420 nan 0.000 0.261 144 P C 0.245 177.545 177.300 0.001 0.000 1.183 144 P CA 0.939 64.031 63.100 -0.014 0.000 0.761 144 P CB 0.599 32.301 31.700 0.002 0.000 0.785 145 G N 2.597 111.390 108.800 -0.012 0.000 2.179 145 G HA2 -0.358 3.602 3.960 0.000 0.000 0.260 145 G HA3 -0.358 3.602 3.960 0.000 0.000 0.260 145 G C 1.068 175.961 174.900 -0.011 0.000 0.977 145 G CA 0.494 45.601 45.100 0.012 0.000 0.641 145 G HN 0.569 nan 8.290 nan 0.000 0.533 146 Q N -0.379 119.401 119.800 -0.033 0.000 2.123 146 Q HA 0.199 4.539 4.340 0.000 0.000 0.199 146 Q C 1.216 177.174 176.000 -0.071 0.000 0.966 146 Q CA 0.615 56.398 55.803 -0.033 0.000 0.845 146 Q CB -0.003 28.715 28.738 -0.033 0.000 0.907 146 Q HN 0.676 nan 8.270 nan 0.000 0.439 147 I N 1.697 122.195 120.570 -0.119 0.000 2.325 147 I HA 0.161 4.331 4.170 0.000 0.000 0.291 147 I C -0.916 175.055 176.117 -0.243 0.000 1.019 147 I CA -0.615 60.585 61.300 -0.166 0.000 1.302 147 I CB 1.594 39.481 38.000 -0.188 0.000 1.401 147 I HN -0.144 nan 8.210 nan 0.000 0.485 148 V N 8.758 128.523 119.914 -0.248 0.000 2.409 148 V HA 0.351 4.471 4.120 0.000 0.000 0.291 148 V C -2.102 173.831 176.094 -0.268 0.000 1.020 148 V CA -1.718 60.363 62.300 -0.364 0.000 0.848 148 V CB 1.710 33.311 31.823 -0.370 0.000 0.990 148 V HN 0.582 nan 8.190 nan 0.000 0.430 149 P HA 0.214 nan 4.420 nan 0.000 0.275 149 P C 0.445 177.700 177.300 -0.074 0.000 1.228 149 P CA 0.048 63.057 63.100 -0.151 0.000 0.786 149 P CB 2.079 33.708 31.700 -0.118 0.000 0.927 150 V N 1.563 121.457 119.914 -0.033 0.000 3.125 150 V HA -0.027 4.094 4.120 0.000 0.000 0.249 150 V C 1.341 177.431 176.094 -0.007 0.000 1.113 150 V CA 0.584 62.869 62.300 -0.025 0.000 1.106 150 V CB -1.168 30.631 31.823 -0.040 0.000 0.768 150 V HN 0.626 nan 8.190 nan 0.000 0.468 151 N N 0.877 119.598 118.700 0.035 0.000 2.407 151 N HA -0.087 4.653 4.740 0.000 0.000 0.250 151 N C 1.502 176.987 175.510 -0.041 0.000 1.236 151 N CA 0.825 53.875 53.050 -0.000 0.000 0.879 151 N CB 1.063 39.572 38.487 0.036 0.000 1.088 151 N HN 0.238 nan 8.380 nan 0.000 0.450 152 S N 2.031 117.672 115.700 -0.097 0.000 2.382 152 S HA -0.183 4.287 4.470 0.000 0.000 0.228 152 S C 1.294 175.845 174.600 -0.083 0.000 1.027 152 S CA 1.137 59.252 58.200 -0.142 0.000 0.991 152 S CB -0.451 62.595 63.200 -0.257 0.000 0.823 152 S HN 0.708 nan 8.310 nan 0.000 0.469 153 E N 1.298 121.435 120.200 -0.105 0.000 2.028 153 E HA -0.060 4.290 4.350 0.000 0.000 0.191 153 E C 2.006 178.588 176.600 -0.030 0.000 0.988 153 E CA 1.670 58.014 56.400 -0.093 0.000 0.799 153 E CB -0.523 29.054 29.700 -0.206 0.000 0.755 153 E HN 0.809 nan 8.360 nan 0.000 0.447 154 H N -0.855 118.267 119.070 0.086 0.000 2.387 154 H HA -0.035 4.521 4.556 0.000 0.000 0.299 154 H C 2.174 177.598 175.328 0.160 0.000 1.090 154 H CA 1.127 57.285 56.048 0.184 0.000 1.332 154 H CB 0.031 29.875 29.762 0.137 0.000 1.386 154 H HN 0.052 nan 8.280 nan 0.000 0.516 155 S N 0.244 116.046 115.700 0.170 0.000 2.382 155 S HA -0.175 4.295 4.470 0.000 0.000 0.228 155 S C 2.373 177.036 174.600 0.106 0.000 1.027 155 S CA 0.850 59.111 58.200 0.102 0.000 0.991 155 S CB -0.322 62.907 63.200 0.049 0.000 0.823 155 S HN 0.502 nan 8.310 nan 0.000 0.469 156 A N 1.591 124.458 122.820 0.078 0.000 1.877 156 A HA 0.040 4.360 4.320 0.000 0.000 0.216 156 A C 2.207 179.808 177.584 0.028 0.000 1.186 156 A CA 1.517 53.600 52.037 0.077 0.000 0.620 156 A CB -0.899 18.157 19.000 0.094 0.000 0.822 156 A HN 0.574 nan 8.150 nan 0.000 0.443 157 L N -0.714 120.489 121.223 -0.035 0.000 2.042 157 L HA -0.234 4.107 4.340 0.000 0.000 0.210 157 L C 3.078 179.762 176.870 -0.309 0.000 1.076 157 L CA 1.211 55.907 54.840 -0.240 0.000 0.749 157 L CB -0.601 41.203 42.059 -0.425 0.000 0.893 157 L HN 0.444 nan 8.230 nan 0.000 0.432 158 A N -0.638 122.099 122.820 -0.138 0.000 1.972 158 A HA -0.222 4.098 4.320 0.000 0.000 0.219 158 A C 2.235 179.965 177.584 0.243 0.000 1.169 158 A CA 1.435 53.504 52.037 0.053 0.000 0.635 158 A CB -0.366 18.689 19.000 0.093 0.000 0.810 158 A HN 0.499 nan 8.150 nan 0.000 0.446 159 Q N -1.154 118.783 119.800 0.227 0.000 2.083 159 Q HA -0.135 4.205 4.340 0.000 0.000 0.198 159 Q C 2.238 178.327 176.000 0.149 0.000 0.969 159 Q CA 1.583 57.524 55.803 0.229 0.000 0.838 159 Q CB -0.326 28.526 28.738 0.190 0.000 0.900 159 Q HN 0.747 nan 8.270 nan 0.000 0.436 160 C N 0.503 119.861 119.300 0.098 0.000 2.450 160 C HA -0.020 4.440 4.460 0.000 0.000 0.279 160 C C 2.360 177.468 174.990 0.197 0.000 1.335 160 C CA 0.270 59.358 59.018 0.116 0.000 1.749 160 C CB -0.805 26.967 27.740 0.052 0.000 1.963 160 C HN 0.457 nan 8.230 nan 0.000 0.501 161 L N 0.515 121.799 121.223 0.101 0.000 2.456 161 L HA -0.090 4.250 4.340 0.000 0.000 0.224 161 L C 2.598 179.599 176.870 0.219 0.000 1.148 161 L CA 0.972 55.900 54.840 0.146 0.000 0.825 161 L CB -0.512 41.536 42.059 -0.018 0.000 0.937 161 L HN 0.368 nan 8.230 nan 0.000 0.450 162 R N -0.182 120.424 120.500 0.176 0.000 2.189 162 R HA -0.067 4.273 4.340 0.000 0.000 0.223 162 R C 2.203 178.534 176.300 0.050 0.000 1.092 162 R CA 0.900 57.068 56.100 0.114 0.000 0.989 162 R CB -0.430 29.921 30.300 0.085 0.000 0.876 162 R HN 0.380 nan 8.270 nan 0.000 0.457 163 G N 0.082 108.919 108.800 0.061 0.000 2.708 163 G HA2 0.082 4.042 3.960 0.000 0.000 0.210 163 G HA3 0.082 4.042 3.960 0.000 0.000 0.210 163 G C 0.379 174.935 174.900 -0.573 0.000 1.141 163 G CA 0.677 45.641 45.100 -0.226 0.000 0.788 163 G HN 0.453 nan 8.290 nan 0.000 0.531 164 G N -1.444 107.207 108.800 -0.248 0.000 2.495 164 G HA2 0.494 4.454 3.960 0.000 0.000 0.294 164 G HA3 0.494 4.454 3.960 0.000 0.000 0.294 164 G C -0.373 174.581 174.900 0.090 0.000 1.397 164 G CA 0.088 45.087 45.100 -0.169 0.000 0.790 164 G HN 0.550 nan 8.290 nan 0.000 0.486 165 T N -1.173 113.429 114.554 0.080 0.000 2.813 165 T HA 0.454 4.804 4.350 0.000 0.000 0.297 165 T C -1.319 173.460 174.700 0.133 0.000 1.036 165 T CA -0.755 61.399 62.100 0.091 0.000 1.044 165 T CB 1.600 70.501 68.868 0.055 0.000 0.993 165 T HN 0.126 nan 8.240 nan 0.000 0.535 166 P HA -0.055 nan 4.420 nan 0.000 0.217 166 P C 0.905 178.244 177.300 0.066 0.000 1.148 166 P CA 0.956 64.103 63.100 0.078 0.000 0.828 166 P CB -0.033 31.702 31.700 0.058 0.000 0.783 167 D N -0.739 119.699 120.400 0.064 0.000 2.264 167 D HA -0.107 4.533 4.640 0.000 0.000 0.208 167 D C 1.474 177.818 176.300 0.073 0.000 0.966 167 D CA 0.865 54.897 54.000 0.053 0.000 0.864 167 D CB -0.388 40.438 40.800 0.042 0.000 0.933 167 D HN 0.361 nan 8.370 nan 0.000 0.499 168 E N -0.081 120.194 120.200 0.125 0.000 2.489 168 E HA 0.052 4.402 4.350 0.000 0.000 0.193 168 E C -0.005 176.742 176.600 0.246 0.000 1.057 168 E CA -0.099 56.420 56.400 0.199 0.000 0.866 168 E CB 0.853 30.691 29.700 0.231 0.000 0.916 168 E HN -0.000 nan 8.360 nan 0.000 0.500 169 V N 1.394 121.361 119.914 0.088 0.000 2.508 169 V HA 0.079 4.200 4.120 0.000 0.000 0.281 169 V C 0.865 176.898 176.094 -0.102 0.000 1.041 169 V CA 0.325 62.542 62.300 -0.138 0.000 1.016 169 V CB 1.127 32.843 31.823 -0.179 0.000 0.984 169 V HN 0.204 nan 8.190 nan 0.000 0.478 170 A N 5.550 128.281 122.820 -0.148 0.000 1.909 170 A HA 0.320 4.640 4.320 0.000 0.000 0.209 170 A C 0.893 178.411 177.584 -0.110 0.000 1.247 170 A CA 0.550 52.533 52.037 -0.089 0.000 0.660 170 A CB 0.280 19.248 19.000 -0.054 0.000 0.910 170 A HN 0.660 nan 8.150 nan 0.000 0.465 171 K N -0.260 120.041 120.400 -0.165 0.000 2.469 171 K HA 0.646 4.966 4.320 0.000 0.000 0.254 171 K C -1.687 174.799 176.600 -0.190 0.000 0.939 171 K CA -0.418 55.786 56.287 -0.138 0.000 0.812 171 K CB 2.187 34.626 32.500 -0.102 0.000 1.301 171 K HN 0.233 nan 8.250 nan 0.000 0.433 172 L N 2.504 123.643 121.223 -0.140 0.000 2.295 172 L HA 0.533 4.874 4.340 0.000 0.000 0.285 172 L C -0.617 176.201 176.870 -0.086 0.000 1.035 172 L CA -1.217 53.537 54.840 -0.142 0.000 0.806 172 L CB 1.570 43.554 42.059 -0.125 0.000 1.214 172 L HN 0.234 nan 8.230 nan 0.000 0.426 173 V N 4.475 124.335 119.914 -0.089 0.000 2.349 173 V HA 0.310 4.430 4.120 0.000 0.000 0.284 173 V C -0.043 176.031 176.094 -0.032 0.000 1.014 173 V CA -0.528 61.739 62.300 -0.056 0.000 0.826 173 V CB 1.530 33.305 31.823 -0.080 0.000 1.009 173 V HN 0.432 nan 8.190 nan 0.000 0.431 174 L N 4.839 126.060 121.223 -0.002 0.000 2.349 174 L HA 0.519 4.859 4.340 0.000 0.000 0.275 174 L C 1.000 177.888 176.870 0.029 0.000 1.115 174 L CA 0.580 55.427 54.840 0.011 0.000 0.820 174 L CB 1.427 43.498 42.059 0.020 0.000 1.135 174 L HN 0.837 nan 8.230 nan 0.000 0.445 175 T N 0.105 114.683 114.554 0.040 0.000 2.922 175 T HA 0.859 5.209 4.350 0.000 0.000 0.285 175 T C -0.260 174.472 174.700 0.053 0.000 1.005 175 T CA -0.729 61.420 62.100 0.082 0.000 1.061 175 T CB 1.678 70.611 68.868 0.110 0.000 1.007 175 T HN 0.758 nan 8.240 nan 0.000 0.502 176 A N 1.376 124.228 122.820 0.053 0.000 2.422 176 A HA 0.634 4.954 4.320 0.000 0.000 0.302 176 A C 1.116 178.680 177.584 -0.034 0.000 1.041 176 A CA -0.347 51.687 52.037 -0.005 0.000 0.708 176 A CB 1.392 20.377 19.000 -0.025 0.000 1.257 176 A HN 1.176 nan 8.150 nan 0.000 0.414 177 S N 1.607 117.260 115.700 -0.078 0.000 2.419 177 S HA 0.178 4.648 4.470 0.000 0.000 0.235 177 S C 1.620 176.133 174.600 -0.145 0.000 1.019 177 S CA 1.794 59.918 58.200 -0.127 0.000 0.982 177 S CB -0.276 62.842 63.200 -0.136 0.000 0.789 177 S HN 2.753 nan 8.310 nan 0.000 0.490 178 G N 0.510 109.211 108.800 -0.165 0.000 2.241 178 G HA2 0.196 4.156 3.960 0.000 0.000 0.244 178 G HA3 0.196 4.156 3.960 0.000 0.000 0.244 178 G C 1.246 175.950 174.900 -0.327 0.000 0.998 178 G CA 0.328 45.288 45.100 -0.235 0.000 0.621 178 G HN 2.001 nan 8.290 nan 0.000 0.519 179 G N -0.252 108.378 108.800 -0.284 0.000 2.728 179 G HA2 0.217 4.177 3.960 0.000 0.000 0.294 179 G HA3 0.217 4.177 3.960 0.000 0.000 0.294 179 G C -0.753 173.876 174.900 -0.452 0.000 1.342 179 G CA 0.350 45.231 45.100 -0.365 0.000 0.866 179 G HN 0.906 nan 8.290 nan 0.000 0.534 180 P HA 0.060 nan 4.420 nan 0.000 0.223 180 P C 0.993 177.743 177.300 -0.916 0.000 1.151 180 P CA 1.384 63.997 63.100 -0.811 0.000 0.787 180 P CB -0.091 30.950 31.700 -1.097 0.000 0.788 181 F N -0.593 118.960 119.950 -0.662 0.000 2.708 181 F HA 0.313 4.840 4.527 -0.000 0.000 0.300 181 F C 1.238 176.857 175.800 -0.302 0.000 1.118 181 F CA -1.135 56.215 58.000 -1.084 0.000 1.307 181 F CB -0.019 38.396 39.000 -0.975 0.000 0.986 181 F HN -0.289 nan 8.300 nan 0.000 0.522 182 R N 1.356 121.792 120.500 -0.107 0.000 2.502 182 R HA 0.213 4.553 4.340 0.000 0.000 0.292 182 R C 1.316 177.790 176.300 0.289 0.000 0.998 182 R CA 1.343 57.467 56.100 0.040 0.000 1.056 182 R CB 0.086 30.360 30.300 -0.043 0.000 0.939 182 R HN 0.598 nan 8.270 nan 0.000 0.411 183 G N 3.471 112.487 108.800 0.360 0.000 2.205 183 G HA2 -0.256 3.704 3.960 0.000 0.000 0.261 183 G HA3 -0.256 3.704 3.960 0.000 0.000 0.261 183 G C -0.492 174.690 174.900 0.469 0.000 0.980 183 G CA 0.151 45.471 45.100 0.367 0.000 0.632 183 G HN 0.598 nan 8.290 nan 0.000 0.533 184 W N 2.565 124.009 121.300 0.241 0.000 2.170 184 W HA 0.587 5.246 4.660 -0.001 0.000 0.336 184 W C 1.292 177.861 176.519 0.084 0.000 1.283 184 W CA -0.192 57.250 57.345 0.161 0.000 1.224 184 W CB 0.509 30.078 29.460 0.181 0.000 1.132 184 W HN 0.486 nan 8.180 nan 0.000 0.571 185 S N 1.083 116.896 115.700 0.189 0.000 2.634 185 S HA 0.533 5.003 4.470 0.000 0.000 0.261 185 S C 1.094 175.708 174.600 0.023 0.000 1.271 185 S CA -0.257 57.985 58.200 0.071 0.000 0.985 185 S CB 1.085 64.297 63.200 0.019 0.000 0.968 185 S HN 0.610 nan 8.310 nan 0.000 0.568 186 A N 0.985 123.781 122.820 -0.040 0.000 1.933 186 A HA 0.113 4.433 4.320 0.000 0.000 0.218 186 A C 2.355 179.902 177.584 -0.061 0.000 1.175 186 A CA 1.792 53.783 52.037 -0.076 0.000 0.628 186 A CB -1.688 17.263 19.000 -0.082 0.000 0.814 186 A HN 1.245 nan 8.150 nan 0.000 0.444 187 A N 0.074 122.865 122.820 -0.047 0.000 1.877 187 A HA -0.210 4.110 4.320 0.000 0.000 0.216 187 A C 1.804 179.348 177.584 -0.066 0.000 1.186 187 A CA 1.922 53.923 52.037 -0.060 0.000 0.620 187 A CB -0.670 18.316 19.000 -0.023 0.000 0.822 187 A HN 0.451 nan 8.150 nan 0.000 0.443 188 D N 0.128 120.519 120.400 -0.015 0.000 2.133 188 D HA -0.151 4.489 4.640 0.000 0.000 0.195 188 D C 1.816 178.185 176.300 0.115 0.000 0.997 188 D CA 1.160 55.161 54.000 0.001 0.000 0.840 188 D CB -0.359 40.401 40.800 -0.066 0.000 0.947 188 D HN 0.462 nan 8.370 nan 0.000 0.452 189 L N 0.894 122.169 121.223 0.086 0.000 2.362 189 L HA -0.097 4.244 4.340 0.000 0.000 0.219 189 L C 2.182 179.010 176.870 -0.069 0.000 1.134 189 L CA 0.618 55.457 54.840 -0.001 0.000 0.807 189 L CB -0.213 41.867 42.059 0.036 0.000 0.927 189 L HN -0.043 nan 8.230 nan 0.000 0.447 190 E N -0.359 119.729 120.200 -0.187 0.000 2.153 190 E HA -0.158 4.192 4.350 0.000 0.000 0.194 190 E C 1.448 177.878 176.600 -0.283 0.000 0.988 190 E CA 1.045 57.271 56.400 -0.291 0.000 0.811 190 E CB -0.122 29.299 29.700 -0.464 0.000 0.746 190 E HN 0.622 nan 8.360 nan 0.000 0.466 191 H N -0.263 118.823 119.070 0.027 0.000 2.517 191 H HA 0.174 4.730 4.556 -0.000 0.000 0.282 191 H C 0.143 175.500 175.328 0.049 0.000 1.023 191 H CA -0.140 55.929 56.048 0.036 0.000 1.169 191 H CB 0.107 29.876 29.762 0.012 0.000 1.454 191 H HN -0.136 nan 8.280 nan 0.000 0.556 192 V N 3.428 123.377 119.914 0.058 0.000 2.521 192 V HA 0.023 4.143 4.120 0.000 0.000 0.286 192 V C 1.043 177.263 176.094 0.211 0.000 1.034 192 V CA -0.042 62.224 62.300 -0.057 0.000 1.045 192 V CB 0.988 32.423 31.823 -0.645 0.000 0.974 192 V HN 0.440 nan 8.190 nan 0.000 0.480 193 T N 3.473 118.148 114.554 0.201 0.000 2.934 193 T HA 0.404 4.754 4.350 0.000 0.000 0.283 193 T C -1.768 173.074 174.700 0.237 0.000 1.005 193 T CA -2.066 60.149 62.100 0.191 0.000 1.041 193 T CB 1.792 70.715 68.868 0.092 0.000 1.042 193 T HN 0.362 nan 8.240 nan 0.000 0.505 194 P HA -0.155 nan 4.420 nan 0.000 0.216 194 P C 1.430 178.725 177.300 -0.009 0.000 1.157 194 P CA 1.179 64.190 63.100 -0.148 0.000 0.880 194 P CB 0.124 31.614 31.700 -0.350 0.000 0.791 195 E N -0.498 119.671 120.200 -0.053 0.000 2.072 195 E HA -0.234 4.116 4.350 0.000 0.000 0.191 195 E C 2.098 178.670 176.600 -0.047 0.000 0.985 195 E CA 0.987 57.310 56.400 -0.128 0.000 0.801 195 E CB -0.212 29.441 29.700 -0.078 0.000 0.750 195 E HN 0.282 nan 8.360 nan 0.000 0.452 196 Q N -0.300 119.557 119.800 0.096 0.000 2.135 196 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 196 Q C 1.584 177.712 176.000 0.215 0.000 0.981 196 Q CA 1.278 57.200 55.803 0.198 0.000 0.856 196 Q CB -0.090 28.811 28.738 0.272 0.000 0.902 196 Q HN 0.214 nan 8.270 nan 0.000 0.425 197 A N -0.032 122.955 122.820 0.278 0.000 2.281 197 A HA 0.299 4.619 4.320 0.000 0.000 0.231 197 A C 1.245 178.849 177.584 0.032 0.000 1.317 197 A CA 0.648 52.807 52.037 0.203 0.000 0.959 197 A CB -0.946 18.331 19.000 0.461 0.000 0.900 197 A HN 0.489 nan 8.150 nan 0.000 0.497 198 G N -1.847 106.933 108.800 -0.033 0.000 2.168 198 G HA2 -0.030 3.930 3.960 0.000 0.000 0.263 198 G HA3 -0.030 3.930 3.960 0.000 0.000 0.263 198 G C 0.486 175.332 174.900 -0.090 0.000 0.977 198 G CA 0.345 45.435 45.100 -0.016 0.000 0.659 198 G HN 1.791 nan 8.290 nan 0.000 0.533 199 A N 0.589 123.298 122.820 -0.185 0.000 2.475 199 A HA 0.624 4.944 4.320 0.000 0.000 0.293 199 A C 0.244 177.592 177.584 -0.393 0.000 1.252 199 A CA 0.267 52.201 52.037 -0.171 0.000 0.920 199 A CB -0.118 18.833 19.000 -0.082 0.000 1.125 199 A HN 0.675 nan 8.150 nan 0.000 0.528 200 H N 1.722 120.807 119.070 0.025 0.000 2.797 200 H HA 0.477 5.033 4.556 -0.000 0.000 0.372 200 H C -2.408 172.938 175.328 0.030 0.000 1.168 200 H CA -2.041 54.024 56.048 0.027 0.000 1.163 200 H CB 0.938 30.719 29.762 0.031 0.000 1.778 200 H HN 0.348 nan 8.280 nan 0.000 0.551 201 P HA 0.053 nan 4.420 nan 0.000 0.231 201 P C -0.663 176.717 177.300 0.135 0.000 1.756 201 P CA -0.158 63.010 63.100 0.113 0.000 0.990 201 P CB -0.624 31.133 31.700 0.094 0.000 1.973 202 T N 1.192 115.823 114.554 0.128 0.000 2.907 202 T HA 0.007 4.357 4.350 0.000 0.000 0.298 202 T C 1.180 175.946 174.700 0.110 0.000 1.017 202 T CA -0.543 61.634 62.100 0.128 0.000 1.118 202 T CB 0.690 69.601 68.868 0.072 0.000 0.948 202 T HN 0.454 nan 8.240 nan 0.000 0.531 203 W N 2.471 123.783 121.300 0.020 0.000 2.525 203 W HA -0.050 4.610 4.660 0.000 0.000 0.259 203 W C 0.906 177.426 176.519 0.003 0.000 1.253 203 W CA 1.008 58.363 57.345 0.017 0.000 1.262 203 W CB -0.955 28.509 29.460 0.007 0.000 1.122 203 W HN 0.757 nan 8.180 nan 0.000 0.607 204 S N -0.661 114.544 115.700 -0.825 0.000 2.692 204 S HA 0.191 4.661 4.470 0.000 0.000 0.269 204 S C 0.558 174.898 174.600 -0.433 0.000 1.080 204 S CA -0.366 57.329 58.200 -0.841 0.000 1.058 204 S CB -0.581 61.747 63.200 -1.453 0.000 0.982 204 S HN -0.003 nan 8.310 nan 0.000 0.534 205 M N 3.895 123.297 119.600 -0.329 0.000 2.364 205 M HA 0.480 4.960 4.480 0.000 0.000 0.342 205 M C 0.525 176.769 176.300 -0.094 0.000 1.601 205 M CA 0.178 55.378 55.300 -0.167 0.000 1.156 205 M CB 0.108 32.648 32.600 -0.100 0.000 1.912 205 M HN 0.395 nan 8.290 nan 0.000 0.460 206 G N 6.376 115.129 108.800 -0.078 0.000 2.441 206 G HA2 0.279 4.239 3.960 0.000 0.000 0.243 206 G HA3 0.279 4.239 3.960 0.000 0.000 0.243 206 G C -1.588 173.304 174.900 -0.013 0.000 1.281 206 G CA -1.096 43.982 45.100 -0.037 0.000 0.854 206 G HN 0.693 nan 8.290 nan 0.000 0.560 207 P HA -0.159 nan 4.420 nan 0.000 0.219 207 P C 1.875 179.192 177.300 0.029 0.000 1.146 207 P CA 1.021 64.132 63.100 0.017 0.000 0.808 207 P CB 0.165 31.874 31.700 0.015 0.000 0.779 208 M N -0.162 119.449 119.600 0.019 0.000 2.098 208 M HA -0.088 4.392 4.480 0.000 0.000 0.262 208 M C 1.923 178.235 176.300 0.021 0.000 1.072 208 M CA 1.568 56.883 55.300 0.025 0.000 1.133 208 M CB -1.934 30.672 32.600 0.011 0.000 1.344 208 M HN 0.016 nan 8.290 nan 0.000 0.414 209 N N -0.686 118.015 118.700 0.002 0.000 2.223 209 N HA -0.130 4.610 4.740 0.000 0.000 0.185 209 N C 1.512 177.018 175.510 -0.007 0.000 1.016 209 N CA 1.662 54.707 53.050 -0.007 0.000 0.863 209 N CB -0.008 38.464 38.487 -0.025 0.000 0.983 209 N HN 0.324 nan 8.380 nan 0.000 0.429 210 T N 1.078 115.632 114.554 -0.001 0.000 2.737 210 T HA -0.092 4.258 4.350 0.000 0.000 0.265 210 T C 1.806 176.515 174.700 0.015 0.000 1.038 210 T CA 0.647 62.745 62.100 -0.004 0.000 1.144 210 T CB -0.238 68.636 68.868 0.010 0.000 0.866 210 T HN 0.105 nan 8.240 nan 0.000 0.434 211 L N 2.066 123.329 121.223 0.066 0.000 2.046 211 L HA -0.001 4.339 4.340 0.000 0.000 0.208 211 L C 1.816 178.747 176.870 0.102 0.000 1.077 211 L CA 1.702 56.625 54.840 0.137 0.000 0.747 211 L CB -0.923 41.251 42.059 0.192 0.000 0.896 211 L HN 0.094 nan 8.230 nan 0.000 0.432 212 N N -0.887 117.842 118.700 0.050 0.000 2.289 212 N HA -0.160 4.580 4.740 0.000 0.000 0.184 212 N C 2.052 177.573 175.510 0.017 0.000 1.016 212 N CA 1.256 54.321 53.050 0.026 0.000 0.872 212 N CB -0.329 38.168 38.487 0.016 0.000 0.973 212 N HN 0.521 nan 8.380 nan 0.000 0.433 213 S N 0.049 115.747 115.700 -0.003 0.000 2.377 213 S HA 0.116 4.586 4.470 0.000 0.000 0.223 213 S C 1.957 176.513 174.600 -0.073 0.000 1.030 213 S CA 0.818 58.991 58.200 -0.046 0.000 0.970 213 S CB -0.157 63.001 63.200 -0.070 0.000 0.830 213 S HN 0.301 nan 8.310 nan 0.000 0.473 214 A N 1.353 124.147 122.820 -0.043 0.000 1.972 214 A HA -0.019 4.301 4.320 0.000 0.000 0.219 214 A C 2.378 180.139 177.584 0.294 0.000 1.169 214 A CA 2.034 54.049 52.037 -0.037 0.000 0.635 214 A CB -0.939 18.038 19.000 -0.038 0.000 0.810 214 A HN 0.827 nan 8.150 nan 0.000 0.446 215 S N -1.918 113.947 115.700 0.275 0.000 2.528 215 S HA 0.260 4.730 4.470 0.000 0.000 0.219 215 S C 0.830 175.519 174.600 0.148 0.000 0.985 215 S CA 0.528 58.860 58.200 0.220 0.000 0.914 215 S CB 0.109 63.269 63.200 -0.067 0.000 0.776 215 S HN 0.636 nan 8.310 nan 0.000 0.526 216 L N -0.013 121.240 121.223 0.050 0.000 4.613 216 L HA -0.161 4.179 4.340 0.000 0.000 0.409 216 L C 1.220 178.134 176.870 0.072 0.000 1.100 216 L CA 0.502 55.353 54.840 0.017 0.000 1.029 216 L CB -2.399 39.665 42.059 0.008 0.000 2.137 216 L HN 0.374 nan 8.230 nan 0.000 0.713 217 V N -0.635 119.319 119.914 0.067 0.000 2.488 217 V HA -0.165 3.955 4.120 0.000 0.000 0.246 217 V C 2.166 178.333 176.094 0.123 0.000 1.046 217 V CA 2.178 64.539 62.300 0.103 0.000 1.053 217 V CB -0.312 31.509 31.823 -0.004 0.000 0.679 217 V HN 0.563 nan 8.190 nan 0.000 0.458 218 N N 0.748 119.487 118.700 0.064 0.000 2.094 218 N HA -0.246 4.494 4.740 0.000 0.000 0.191 218 N C 1.731 177.277 175.510 0.061 0.000 1.023 218 N CA 1.719 54.800 53.050 0.053 0.000 0.857 218 N CB -0.153 38.341 38.487 0.013 0.000 1.013 218 N HN 0.244 nan 8.380 nan 0.000 0.426 219 K N -0.159 120.271 120.400 0.050 0.000 2.062 219 K HA 0.113 4.433 4.320 0.000 0.000 0.205 219 K C 1.922 178.571 176.600 0.082 0.000 1.051 219 K CA 1.361 57.676 56.287 0.047 0.000 0.941 219 K CB -1.049 31.465 32.500 0.024 0.000 0.719 219 K HN 0.274 nan 8.250 nan 0.000 0.440 220 G N 0.976 109.845 108.800 0.114 0.000 2.491 220 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 220 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 220 G C 1.495 176.446 174.900 0.083 0.000 1.180 220 G CA 1.276 46.440 45.100 0.106 0.000 0.774 220 G HN 0.303 nan 8.290 nan 0.000 0.562 221 L N -0.194 121.137 121.223 0.179 0.000 2.083 221 L HA -0.128 4.212 4.340 0.000 0.000 0.209 221 L C 3.147 180.109 176.870 0.152 0.000 1.083 221 L CA 1.244 56.184 54.840 0.167 0.000 0.752 221 L CB -0.443 41.723 42.059 0.179 0.000 0.899 221 L HN 0.303 nan 8.230 nan 0.000 0.433 222 Q N -0.778 119.114 119.800 0.153 0.000 2.172 222 Q HA -0.139 4.202 4.340 0.000 0.000 0.200 222 Q C 2.397 178.570 176.000 0.288 0.000 0.964 222 Q CA 1.044 56.982 55.803 0.225 0.000 0.855 222 Q CB -0.045 28.712 28.738 0.031 0.000 0.918 222 Q HN 0.345 nan 8.270 nan 0.000 0.444 223 V N 1.054 121.077 119.914 0.182 0.000 2.295 223 V HA -0.266 3.854 4.120 0.000 0.000 0.246 223 V C 2.101 178.342 176.094 0.245 0.000 1.049 223 V CA 1.572 63.988 62.300 0.194 0.000 1.024 223 V CB -0.363 31.553 31.823 0.155 0.000 0.648 223 V HN 0.335 nan 8.190 nan 0.000 0.447 224 I N -0.185 120.518 120.570 0.221 0.000 2.163 224 I HA -0.287 3.883 4.170 0.000 0.000 0.243 224 I C 2.508 178.719 176.117 0.158 0.000 1.085 224 I CA 1.851 63.302 61.300 0.252 0.000 1.347 224 I CB -0.404 37.654 38.000 0.098 0.000 1.044 224 I HN 0.383 nan 8.210 nan 0.000 0.408 225 E N 0.060 120.313 120.200 0.089 0.000 2.106 225 E HA -0.168 4.182 4.350 0.000 0.000 0.192 225 E C 2.141 178.611 176.600 -0.217 0.000 0.984 225 E CA 1.709 58.053 56.400 -0.094 0.000 0.806 225 E CB -0.145 29.459 29.700 -0.160 0.000 0.750 225 E HN 0.467 nan 8.360 nan 0.000 0.458 226 T N 0.062 114.621 114.554 0.009 0.000 2.684 226 T HA -0.239 4.111 4.350 0.000 0.000 0.267 226 T C 1.710 176.434 174.700 0.040 0.000 1.036 226 T CA 1.866 64.051 62.100 0.141 0.000 1.148 226 T CB -0.430 68.619 68.868 0.303 0.000 0.863 226 T HN 0.327 nan 8.240 nan 0.000 0.436 227 H N 0.908 119.889 119.070 -0.149 0.000 2.352 227 H HA 0.027 4.583 4.556 -0.000 0.000 0.299 227 H C 1.964 177.158 175.328 -0.223 0.000 1.097 227 H CA 1.455 57.314 56.048 -0.316 0.000 1.311 227 H CB -0.457 28.849 29.762 -0.761 0.000 1.377 227 H HN 0.279 nan 8.280 nan 0.000 0.504 228 L N -0.645 120.430 121.223 -0.247 0.000 2.131 228 L HA -0.060 4.280 4.340 0.000 0.000 0.206 228 L C 2.476 179.126 176.870 -0.366 0.000 1.087 228 L CA 0.595 55.264 54.840 -0.285 0.000 0.767 228 L CB -0.237 41.736 42.059 -0.143 0.000 0.917 228 L HN 0.267 nan 8.230 nan 0.000 0.441 229 L N -1.325 119.598 121.223 -0.499 0.000 2.093 229 L HA -0.149 4.191 4.340 0.000 0.000 0.208 229 L C 1.824 178.202 176.870 -0.821 0.000 1.085 229 L CA 1.569 55.925 54.840 -0.806 0.000 0.755 229 L CB -0.160 41.122 42.059 -1.295 0.000 0.904 229 L HN 0.179 nan 8.230 nan 0.000 0.435 230 F N -1.567 118.262 119.950 -0.203 0.000 2.724 230 F HA 0.329 4.857 4.527 0.002 0.000 0.306 230 F C 1.551 177.240 175.800 -0.185 0.000 1.100 230 F CA 0.210 58.113 58.000 -0.162 0.000 1.255 230 F CB 0.332 39.260 39.000 -0.121 0.000 1.072 230 F HN 0.027 nan 8.300 nan 0.000 0.589 231 G N 2.261 110.956 108.800 -0.175 0.000 2.272 231 G HA2 -0.251 3.709 3.960 0.000 0.000 0.280 231 G HA3 -0.251 3.709 3.960 0.000 0.000 0.280 231 G C -0.202 174.603 174.900 -0.157 0.000 1.067 231 G CA -0.195 44.754 45.100 -0.252 0.000 0.902 231 G HN 0.176 nan 8.290 nan 0.000 0.500 232 I N 0.138 120.631 120.570 -0.128 0.000 2.441 232 I HA 0.351 4.521 4.170 0.000 0.000 0.295 232 I C -1.930 174.212 176.117 0.041 0.000 0.994 232 I CA -2.857 58.423 61.300 -0.034 0.000 1.144 232 I CB 1.494 39.480 38.000 -0.022 0.000 1.314 232 I HN -0.144 nan 8.210 nan 0.000 0.445 233 P HA 0.075 nan 4.420 nan 0.000 0.269 233 P C 0.390 177.678 177.300 -0.021 0.000 1.209 233 P CA 0.164 63.295 63.100 0.053 0.000 0.776 233 P CB 0.444 32.175 31.700 0.052 0.000 0.876 234 Y N 1.182 121.469 120.300 -0.022 0.000 2.256 234 Y HA -0.247 4.303 4.550 -0.000 0.000 0.288 234 Y C 2.095 177.980 175.900 -0.026 0.000 1.155 234 Y CA 1.758 59.821 58.100 -0.062 0.000 1.203 234 Y CB -0.562 37.803 38.460 -0.157 0.000 0.980 234 Y HN 0.428 nan 8.280 nan 0.000 0.530 235 D N -0.307 120.166 120.400 0.122 0.000 2.371 235 D HA -0.105 4.535 4.640 0.000 0.000 0.221 235 D C 1.234 177.558 176.300 0.040 0.000 0.986 235 D CA 0.762 54.804 54.000 0.070 0.000 0.899 235 D CB -0.340 40.490 40.800 0.051 0.000 0.902 235 D HN 0.269 nan 8.370 nan 0.000 0.530 236 R N -0.178 120.340 120.500 0.030 0.000 2.472 236 R HA 0.358 4.698 4.340 0.000 0.000 0.279 236 R C 0.024 176.319 176.300 -0.008 0.000 0.953 236 R CA -0.237 55.864 56.100 0.001 0.000 1.088 236 R CB 0.832 31.124 30.300 -0.013 0.000 1.197 236 R HN 0.215 nan 8.270 nan 0.000 0.536 237 I N 1.680 122.261 120.570 0.019 0.000 2.330 237 I HA 0.216 4.386 4.170 0.000 0.000 0.289 237 I C -0.531 175.610 176.117 0.039 0.000 1.001 237 I CA -0.545 60.770 61.300 0.025 0.000 1.193 237 I CB 1.339 39.368 38.000 0.048 0.000 1.345 237 I HN -0.180 nan 8.210 nan 0.000 0.461 238 D N 5.371 125.781 120.400 0.017 0.000 2.340 238 D HA 0.587 5.227 4.640 0.000 0.000 0.243 238 D C -0.641 175.675 176.300 0.026 0.000 0.988 238 D CA -0.365 53.647 54.000 0.020 0.000 0.959 238 D CB 2.960 43.760 40.800 0.000 0.000 1.226 238 D HN 0.044 nan 8.370 nan 0.000 0.509 239 V N 1.117 121.052 119.914 0.035 0.000 2.531 239 V HA 0.365 4.485 4.120 0.000 0.000 0.301 239 V C -0.402 175.723 176.094 0.052 0.000 1.034 239 V CA -0.795 61.531 62.300 0.042 0.000 0.865 239 V CB 2.129 33.980 31.823 0.046 0.000 0.995 239 V HN 0.286 nan 8.190 nan 0.000 0.424 240 V N 6.218 126.174 119.914 0.069 0.000 2.628 240 V HA 0.602 4.722 4.120 0.000 0.000 0.306 240 V C -0.276 175.905 176.094 0.145 0.000 1.045 240 V CA -0.369 62.000 62.300 0.116 0.000 0.905 240 V CB 2.386 34.290 31.823 0.135 0.000 0.997 240 V HN 0.633 nan 8.190 nan 0.000 0.436 241 V N 5.981 125.979 119.914 0.139 0.000 2.530 241 V HA 0.338 4.458 4.120 0.000 0.000 0.282 241 V C -0.364 175.831 176.094 0.167 0.000 1.048 241 V CA -0.137 62.224 62.300 0.103 0.000 0.997 241 V CB 1.001 32.850 31.823 0.044 0.000 0.987 241 V HN 1.006 nan 8.190 nan 0.000 0.477 242 H N 6.645 125.691 119.070 -0.041 0.000 3.021 242 H HA 0.410 4.966 4.556 0.001 0.000 0.293 242 H C -2.510 172.714 175.328 -0.174 0.000 1.244 242 H CA -1.684 54.261 56.048 -0.171 0.000 1.596 242 H CB 2.104 31.756 29.762 -0.183 0.000 1.720 242 H HN 0.317 nan 8.280 nan 0.000 0.537 243 P HA -0.092 nan 4.420 nan 0.000 0.223 243 P C 0.941 177.992 177.300 -0.416 0.000 1.151 243 P CA 0.927 63.838 63.100 -0.316 0.000 0.787 243 P CB 0.512 32.099 31.700 -0.187 0.000 0.788 244 Q N -1.207 118.167 119.800 -0.710 0.000 2.269 244 Q HA 0.094 4.434 4.340 0.000 0.000 0.201 244 Q C 0.852 176.564 176.000 -0.480 0.000 0.946 244 Q CA 0.611 56.097 55.803 -0.528 0.000 0.877 244 Q CB -0.594 27.897 28.738 -0.411 0.000 0.963 244 Q HN -0.038 nan 8.270 nan 0.000 0.472 245 S N -0.849 114.462 115.700 -0.648 0.000 3.698 245 S HA -0.192 4.279 4.470 0.000 0.000 0.338 245 S C 0.652 175.053 174.600 -0.332 0.000 1.089 245 S CA 0.586 58.619 58.200 -0.277 0.000 0.991 245 S CB -1.793 61.327 63.200 -0.133 0.000 0.909 245 S HN 0.381 nan 8.310 nan 0.000 0.485 246 I N -0.096 120.258 120.570 -0.361 0.000 2.556 246 I HA 0.204 4.374 4.170 0.000 0.000 0.251 246 I C 1.042 176.619 176.117 -0.901 0.000 1.105 246 I CA 0.651 61.596 61.300 -0.591 0.000 1.436 246 I CB 0.127 37.726 38.000 -0.668 0.000 1.139 246 I HN 0.337 nan 8.210 nan 0.000 0.438 247 I N 2.001 122.122 120.570 -0.748 0.000 2.379 247 I HA -0.019 4.151 4.170 0.000 0.000 0.290 247 I C 1.001 176.851 176.117 -0.445 0.000 1.063 247 I CA 0.147 61.068 61.300 -0.631 0.000 1.351 247 I CB 0.560 38.238 38.000 -0.537 0.000 1.410 247 I HN 0.288 nan 8.210 nan 0.000 0.505 248 H N 3.837 122.856 119.070 -0.085 0.000 2.563 248 H HA 0.334 4.890 4.556 0.001 0.000 0.264 248 H C 0.217 175.523 175.328 -0.037 0.000 0.957 248 H CA 0.080 56.102 56.048 -0.044 0.000 1.173 248 H CB 0.838 30.574 29.762 -0.043 0.000 1.420 248 H HN 0.577 nan 8.280 nan 0.000 0.551 249 S N -0.599 115.121 115.700 0.035 0.000 2.719 249 S HA 0.319 4.789 4.470 0.000 0.000 0.272 249 S C -1.297 173.289 174.600 -0.023 0.000 0.964 249 S CA -0.792 57.408 58.200 0.001 0.000 0.944 249 S CB 1.215 64.415 63.200 0.001 0.000 1.199 249 S HN 0.105 nan 8.310 nan 0.000 0.461 250 M N 1.234 120.802 119.600 -0.053 0.000 2.618 250 M HA 0.662 5.142 4.480 0.000 0.000 0.281 250 M C -1.614 174.615 176.300 -0.117 0.000 1.267 250 M CA -0.831 54.428 55.300 -0.067 0.000 0.845 250 M CB 2.206 34.754 32.600 -0.086 0.000 1.732 250 M HN 0.356 nan 8.290 nan 0.000 0.461 251 V N 0.705 120.539 119.914 -0.133 0.000 2.531 251 V HA 0.472 4.592 4.120 0.000 0.000 0.301 251 V C -0.518 175.382 176.094 -0.323 0.000 1.034 251 V CA -0.596 61.521 62.300 -0.305 0.000 0.865 251 V CB 1.997 33.537 31.823 -0.471 0.000 0.995 251 V HN 0.892 nan 8.190 nan 0.000 0.424 252 T N 5.708 120.061 114.554 -0.336 0.000 2.767 252 T HA 0.642 4.992 4.350 0.000 0.000 0.288 252 T C -0.422 174.069 174.700 -0.348 0.000 0.963 252 T CA 0.051 62.023 62.100 -0.213 0.000 1.019 252 T CB 0.419 69.217 68.868 -0.117 0.000 0.923 252 T HN 0.283 nan 8.240 nan 0.000 0.468 253 F N 1.586 121.518 119.950 -0.030 0.000 2.411 253 F HA 0.417 4.942 4.527 -0.002 0.000 0.324 253 F C 1.898 177.687 175.800 -0.018 0.000 1.086 253 F CA -1.371 56.615 58.000 -0.023 0.000 1.028 253 F CB 0.563 39.551 39.000 -0.020 0.000 1.284 253 F HN 0.544 nan 8.300 nan 0.000 0.501 254 I N -1.479 119.202 120.570 0.184 0.000 2.567 254 I HA -0.170 4.000 4.170 0.000 0.000 0.257 254 I C 1.253 177.413 176.117 0.072 0.000 1.184 254 I CA 1.370 62.725 61.300 0.091 0.000 1.451 254 I CB -0.586 37.458 38.000 0.074 0.000 1.089 254 I HN 0.548 nan 8.210 nan 0.000 0.441 255 D N 0.975 121.428 120.400 0.088 0.000 2.349 255 D HA 0.136 4.776 4.640 0.000 0.000 0.215 255 D C 1.726 178.053 176.300 0.046 0.000 1.016 255 D CA 0.750 54.781 54.000 0.051 0.000 0.870 255 D CB 0.124 40.944 40.800 0.034 0.000 0.917 255 D HN 0.506 nan 8.370 nan 0.000 0.524 256 G N -0.383 108.455 108.800 0.064 0.000 2.179 256 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 256 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 256 G C 0.210 175.142 174.900 0.054 0.000 0.990 256 G CA 0.166 45.292 45.100 0.044 0.000 0.646 256 G HN 0.577 nan 8.290 nan 0.000 0.517 257 S N 0.626 116.380 115.700 0.090 0.000 2.523 257 S HA 0.636 5.106 4.470 0.000 0.000 0.275 257 S C 0.383 175.093 174.600 0.183 0.000 1.281 257 S CA 0.790 59.051 58.200 0.101 0.000 1.050 257 S CB 0.859 64.097 63.200 0.064 0.000 0.937 257 S HN 0.443 nan 8.310 nan 0.000 0.492 258 T N 6.158 120.781 114.554 0.115 0.000 2.797 258 T HA 0.500 4.850 4.350 0.000 0.000 0.279 258 T C -0.519 174.259 174.700 0.129 0.000 0.991 258 T CA -0.560 61.604 62.100 0.106 0.000 0.979 258 T CB 0.598 69.465 68.868 -0.001 0.000 0.943 258 T HN 0.497 nan 8.240 nan 0.000 0.444 259 I N 2.899 123.584 120.570 0.191 0.000 2.354 259 I HA 0.659 4.829 4.170 0.000 0.000 0.292 259 I C 0.259 176.432 176.117 0.094 0.000 0.989 259 I CA -0.903 60.496 61.300 0.165 0.000 1.188 259 I CB 1.012 39.167 38.000 0.258 0.000 1.342 259 I HN 0.683 nan 8.210 nan 0.000 0.457 260 A N 6.566 129.433 122.820 0.079 0.000 2.380 260 A HA 0.651 4.971 4.320 0.000 0.000 0.315 260 A C -0.684 176.940 177.584 0.067 0.000 1.101 260 A CA -0.588 51.480 52.037 0.050 0.000 0.771 260 A CB 2.232 21.262 19.000 0.051 0.000 1.287 260 A HN 0.657 nan 8.150 nan 0.000 0.436 261 Q N 0.778 120.605 119.800 0.046 0.000 2.316 261 Q HA 0.667 5.007 4.340 0.000 0.000 0.264 261 Q C -1.135 174.880 176.000 0.025 0.000 0.987 261 Q CA -0.453 55.395 55.803 0.075 0.000 0.852 261 Q CB 1.818 30.620 28.738 0.108 0.000 1.287 261 Q HN 1.032 nan 8.270 nan 0.000 0.448 262 A N 2.692 125.536 122.820 0.039 0.000 2.393 262 A HA 0.806 5.126 4.320 0.000 0.000 0.306 262 A C -1.159 176.452 177.584 0.045 0.000 1.050 262 A CA -0.238 51.737 52.037 -0.103 0.000 0.724 262 A CB 1.407 20.295 19.000 -0.187 0.000 1.248 262 A HN 0.835 nan 8.150 nan 0.000 0.424 263 S N 1.063 116.787 115.700 0.039 0.000 2.565 263 S HA 0.720 5.190 4.470 0.000 0.000 0.274 263 S C -3.486 171.194 174.600 0.134 0.000 1.144 263 S CA -1.240 57.039 58.200 0.131 0.000 0.849 263 S CB 1.227 64.529 63.200 0.170 0.000 1.103 263 S HN 0.339 nan 8.310 nan 0.000 0.455 264 P HA 0.304 nan 4.420 nan 0.000 0.264 264 P C -2.538 174.814 177.300 0.087 0.000 1.193 264 P CA -0.569 62.555 63.100 0.041 0.000 0.763 264 P CB -0.688 31.021 31.700 0.014 0.000 0.810 265 P HA -0.015 nan 4.420 nan 0.000 0.259 265 P C -0.534 176.774 177.300 0.014 0.000 1.163 265 P CA 1.247 64.394 63.100 0.078 0.000 0.760 265 P CB 0.161 31.888 31.700 0.045 0.000 0.762 266 D N 2.997 123.380 120.400 -0.028 0.000 2.087 266 D HA 0.050 4.690 4.640 0.000 0.000 0.161 266 D C 0.422 176.686 176.300 -0.060 0.000 1.196 266 D CA -0.310 53.672 54.000 -0.029 0.000 0.916 266 D CB 0.292 41.087 40.800 -0.008 0.000 2.216 266 D HN 0.076 nan 8.370 nan 0.000 0.512 267 M N 1.924 121.490 119.600 -0.057 0.000 2.374 267 M HA -0.002 4.478 4.480 0.000 0.000 0.264 267 M C 1.806 178.076 176.300 -0.051 0.000 1.067 267 M CA 1.031 56.291 55.300 -0.068 0.000 1.103 267 M CB 0.146 32.709 32.600 -0.061 0.000 1.402 267 M HN 0.238 nan 8.290 nan 0.000 0.444 268 K N 0.139 120.519 120.400 -0.032 0.000 2.209 268 K HA -0.152 4.168 4.320 0.000 0.000 0.204 268 K C 1.824 178.421 176.600 -0.006 0.000 1.048 268 K CA 0.897 57.174 56.287 -0.017 0.000 0.940 268 K CB -0.242 32.258 32.500 -0.001 0.000 0.729 268 K HN 0.210 nan 8.250 nan 0.000 0.451 269 L N 2.085 123.300 121.223 -0.012 0.000 1.961 269 L HA -0.108 4.232 4.340 0.000 0.000 0.210 269 L C -1.232 175.644 176.870 0.010 0.000 1.072 269 L CA 1.888 56.730 54.840 0.003 0.000 0.749 269 L CB -1.058 40.994 42.059 -0.012 0.000 0.889 269 L HN 0.038 nan 8.230 nan 0.000 0.432 270 P HA -0.146 nan 4.420 nan 0.000 0.218 270 P C 2.192 179.496 177.300 0.005 0.000 1.149 270 P CA 1.667 64.764 63.100 -0.005 0.000 0.817 270 P CB -0.044 31.624 31.700 -0.053 0.000 0.785 271 I N 0.913 121.471 120.570 -0.021 0.000 2.179 271 I HA -0.261 3.909 4.170 0.000 0.000 0.242 271 I C 2.784 178.882 176.117 -0.031 0.000 1.088 271 I CA 2.126 63.404 61.300 -0.038 0.000 1.357 271 I CB -0.787 37.178 38.000 -0.058 0.000 1.051 271 I HN 0.082 nan 8.210 nan 0.000 0.409 272 S N 1.042 116.745 115.700 0.004 0.000 2.368 272 S HA -0.206 4.264 4.470 0.000 0.000 0.225 272 S C 2.019 176.701 174.600 0.137 0.000 1.030 272 S CA 1.053 59.282 58.200 0.049 0.000 0.999 272 S CB -0.792 62.465 63.200 0.094 0.000 0.844 272 S HN 0.339 nan 8.310 nan 0.000 0.459 273 L N 2.204 123.520 121.223 0.155 0.000 2.056 273 L HA 0.266 4.606 4.340 0.000 0.000 0.207 273 L C 2.756 179.820 176.870 0.323 0.000 1.078 273 L CA 1.568 56.562 54.840 0.257 0.000 0.749 273 L CB -1.447 40.782 42.059 0.283 0.000 0.901 273 L HN 0.381 nan 8.230 nan 0.000 0.433 274 A N -0.520 122.408 122.820 0.179 0.000 1.908 274 A HA -0.207 4.113 4.320 0.000 0.000 0.218 274 A C 2.287 179.943 177.584 0.120 0.000 1.181 274 A CA 2.153 54.251 52.037 0.102 0.000 0.627 274 A CB -0.875 18.122 19.000 -0.004 0.000 0.818 274 A HN 0.495 nan 8.150 nan 0.000 0.445 275 L N -1.237 120.021 121.223 0.058 0.000 2.027 275 L HA -0.076 4.264 4.340 0.000 0.000 0.206 275 L C 2.628 179.690 176.870 0.320 0.000 1.074 275 L CA 1.191 56.028 54.840 -0.005 0.000 0.745 275 L CB -0.529 41.230 42.059 -0.500 0.000 0.898 275 L HN 0.503 nan 8.230 nan 0.000 0.433 276 G N -1.979 107.084 108.800 0.439 0.000 2.939 276 G HA2 -0.147 3.813 3.960 0.000 0.000 0.210 276 G HA3 -0.147 3.813 3.960 0.000 0.000 0.210 276 G C 0.474 175.543 174.900 0.282 0.000 1.160 276 G CA -0.549 44.814 45.100 0.439 0.000 0.770 276 G HN 0.231 nan 8.290 nan 0.000 0.543 277 W N 2.486 123.857 121.300 0.118 0.000 2.560 277 W HA -0.007 4.653 4.660 -0.001 0.000 0.335 277 W C -1.556 175.001 176.519 0.063 0.000 1.147 277 W CA -0.639 56.752 57.345 0.078 0.000 1.277 277 W CB 0.829 30.326 29.460 0.063 0.000 1.152 277 W HN 0.117 nan 8.180 nan 0.000 0.561 278 P HA 0.047 nan 4.420 nan 0.000 0.257 278 P C 0.083 177.040 177.300 -0.572 0.000 1.281 278 P CA 0.412 62.803 63.100 -1.181 0.000 0.826 278 P CB 0.024 31.122 31.700 -1.004 0.000 1.237 279 R N 1.297 121.659 120.500 -0.230 0.000 2.234 279 R HA 0.263 4.603 4.340 0.000 0.000 0.324 279 R C 0.273 176.554 176.300 -0.031 0.000 1.054 279 R CA -0.508 55.520 56.100 -0.121 0.000 0.912 279 R CB 0.644 30.900 30.300 -0.074 0.000 1.030 279 R HN 0.024 nan 8.270 nan 0.000 0.455 280 R N 1.957 122.437 120.500 -0.035 0.000 2.641 280 R HA 0.161 4.501 4.340 0.000 0.000 0.269 280 R C -0.475 175.854 176.300 0.048 0.000 1.074 280 R CA -0.371 55.745 56.100 0.027 0.000 1.133 280 R CB 0.879 31.188 30.300 0.014 0.000 1.029 280 R HN 0.281 nan 8.270 nan 0.000 0.488 281 V N 1.901 121.868 119.914 0.088 0.000 2.328 281 V HA 0.046 4.167 4.120 0.000 0.000 0.278 281 V C 0.412 176.547 176.094 0.070 0.000 1.021 281 V CA -0.475 61.883 62.300 0.096 0.000 0.838 281 V CB 1.332 33.266 31.823 0.185 0.000 0.999 281 V HN 0.794 nan 8.190 nan 0.000 0.447 282 S N 4.413 120.139 115.700 0.044 0.000 2.596 282 S HA 0.319 4.789 4.470 0.000 0.000 0.298 282 S C 1.362 175.989 174.600 0.045 0.000 1.255 282 S CA 0.995 59.217 58.200 0.037 0.000 1.083 282 S CB -0.285 62.928 63.200 0.022 0.000 0.837 282 S HN 1.950 nan 8.310 nan 0.000 0.499 283 G N 3.341 112.168 108.800 0.044 0.000 2.136 283 G HA2 -0.226 3.735 3.960 0.000 0.000 0.242 283 G HA3 -0.226 3.735 3.960 0.000 0.000 0.242 283 G C 0.889 175.818 174.900 0.048 0.000 0.989 283 G CA 0.372 45.498 45.100 0.043 0.000 0.682 283 G HN 1.338 nan 8.290 nan 0.000 0.522 284 A N -0.838 122.015 122.820 0.055 0.000 1.902 284 A HA 0.582 4.902 4.320 0.000 0.000 0.217 284 A C 1.617 179.225 177.584 0.040 0.000 1.181 284 A CA 2.522 54.593 52.037 0.055 0.000 0.623 284 A CB -0.125 18.914 19.000 0.064 0.000 0.818 284 A HN 2.371 nan 8.150 nan 0.000 0.443 285 A N -2.708 120.134 122.820 0.038 0.000 2.593 285 A HA 0.701 5.021 4.320 0.000 0.000 0.290 285 A C -0.180 177.424 177.584 0.033 0.000 1.126 285 A CA -0.127 51.928 52.037 0.030 0.000 0.695 285 A CB 0.215 19.229 19.000 0.023 0.000 1.290 285 A HN 1.462 nan 8.150 nan 0.000 0.414 286 A N 0.282 123.119 122.820 0.028 0.000 2.401 286 A HA 0.635 4.955 4.320 0.000 0.000 0.259 286 A C 0.706 178.306 177.584 0.027 0.000 1.103 286 A CA 0.401 52.454 52.037 0.026 0.000 0.789 286 A CB -0.184 18.827 19.000 0.019 0.000 1.035 286 A HN 2.325 nan 8.150 nan 0.000 0.491 287 A N 1.336 124.173 122.820 0.028 0.000 2.332 287 A HA 0.451 4.771 4.320 0.000 0.000 0.258 287 A C 0.545 178.114 177.584 -0.026 0.000 1.087 287 A CA -0.296 51.757 52.037 0.028 0.000 0.802 287 A CB -0.158 18.871 19.000 0.050 0.000 1.042 287 A HN 0.999 nan 8.150 nan 0.000 0.489 288 C N 1.578 120.845 119.300 -0.056 0.000 2.563 288 C HA 0.127 4.587 4.460 0.000 0.000 0.411 288 C C 0.548 175.275 174.990 -0.437 0.000 1.386 288 C CA 0.346 59.210 59.018 -0.257 0.000 1.703 288 C CB -0.938 26.615 27.740 -0.310 0.000 2.596 288 C HN 0.770 nan 8.230 nan 0.000 0.605 289 D N 1.243 121.365 120.400 -0.463 0.000 2.344 289 D HA 0.346 4.986 4.640 0.000 0.000 0.239 289 D C -0.231 175.777 176.300 -0.488 0.000 1.064 289 D CA -0.331 53.460 54.000 -0.349 0.000 0.829 289 D CB 0.709 41.453 40.800 -0.093 0.000 1.129 289 D HN 0.505 nan 8.370 nan 0.000 0.506 290 F N 1.409 121.269 119.950 -0.149 0.000 2.641 290 F HA 0.168 4.696 4.527 0.002 0.000 0.302 290 F C 1.738 177.458 175.800 -0.133 0.000 1.098 290 F CA -0.245 57.675 58.000 -0.133 0.000 1.318 290 F CB 0.224 39.141 39.000 -0.140 0.000 1.035 290 F HN 0.491 nan 8.300 nan 0.000 0.551 291 H N -1.463 117.674 119.070 0.111 0.000 2.502 291 H HA 0.006 4.562 4.556 0.001 0.000 0.283 291 H C 1.080 176.438 175.328 0.050 0.000 1.015 291 H CA 1.004 57.096 56.048 0.073 0.000 1.298 291 H CB 0.323 30.113 29.762 0.047 0.000 1.411 291 H HN 0.025 nan 8.280 nan 0.000 0.556 292 T N -0.062 114.574 114.554 0.136 0.000 2.876 292 T HA 0.622 4.972 4.350 0.000 0.000 0.289 292 T C -0.530 174.206 174.700 0.059 0.000 1.014 292 T CA -0.760 61.390 62.100 0.083 0.000 0.986 292 T CB 1.015 69.921 68.868 0.063 0.000 1.021 292 T HN 0.281 nan 8.240 nan 0.000 0.458 293 A N 3.165 126.013 122.820 0.046 0.000 2.462 293 A HA 0.628 4.948 4.320 0.000 0.000 0.243 293 A C 0.537 178.137 177.584 0.026 0.000 1.076 293 A CA 0.171 52.227 52.037 0.032 0.000 0.773 293 A CB -0.284 18.728 19.000 0.021 0.000 1.010 293 A HN 1.473 nan 8.150 nan 0.000 0.493 294 S N 0.307 116.014 115.700 0.011 0.000 2.615 294 S HA 0.796 5.266 4.470 0.000 0.000 0.269 294 S C -0.733 173.850 174.600 -0.029 0.000 1.161 294 S CA -0.028 58.186 58.200 0.023 0.000 0.817 294 S CB 1.216 64.464 63.200 0.080 0.000 1.131 294 S HN 2.055 nan 8.310 nan 0.000 0.467 295 S N 0.275 115.992 115.700 0.028 0.000 2.547 295 S HA 0.732 5.202 4.470 0.000 0.000 0.281 295 S C -1.805 172.927 174.600 0.219 0.000 1.118 295 S CA -0.723 57.484 58.200 0.013 0.000 0.947 295 S CB 0.676 63.890 63.200 0.022 0.000 1.053 295 S HN 0.744 nan 8.310 nan 0.000 0.482 296 W N 1.864 123.176 121.300 0.020 0.000 2.291 296 W HA 0.514 5.174 4.660 0.001 0.000 0.312 296 W C 0.119 176.525 176.519 -0.187 0.000 1.061 296 W CA -1.129 56.204 57.345 -0.020 0.000 1.296 296 W CB 0.062 29.532 29.460 0.016 0.000 1.223 296 W HN 0.743 nan 8.180 nan 0.000 0.421 297 E N 2.038 122.211 120.200 -0.045 0.000 2.204 297 E HA 0.584 4.934 4.350 0.000 0.000 0.276 297 E C -1.211 175.179 176.600 -0.350 0.000 0.974 297 E CA -0.725 55.608 56.400 -0.111 0.000 0.815 297 E CB 1.546 31.233 29.700 -0.022 0.000 1.119 297 E HN 0.072 nan 8.360 nan 0.000 0.393 298 F N 1.469 121.525 119.950 0.177 0.000 2.540 298 F HA 0.332 4.859 4.527 0.000 0.000 0.317 298 F C 0.008 175.863 175.800 0.093 0.000 1.104 298 F CA -0.848 57.231 58.000 0.131 0.000 0.913 298 F CB 1.757 40.806 39.000 0.082 0.000 1.170 298 F HN 0.347 nan 8.300 nan 0.000 0.450 299 E N 2.508 122.855 120.200 0.244 0.000 2.356 299 E HA 0.537 4.887 4.350 0.000 0.000 0.275 299 E C -3.252 173.435 176.600 0.145 0.000 0.904 299 E CA -2.486 54.012 56.400 0.164 0.000 0.757 299 E CB 2.625 32.397 29.700 0.120 0.000 1.232 299 E HN 0.139 nan 8.360 nan 0.000 0.442 300 P HA 0.037 nan 4.420 nan 0.000 0.272 300 P C -0.529 176.835 177.300 0.105 0.000 1.230 300 P CA -0.618 62.543 63.100 0.102 0.000 0.788 300 P CB 0.650 32.402 31.700 0.087 0.000 0.949 301 L N 1.949 123.231 121.223 0.099 0.000 2.331 301 L HA 0.243 4.583 4.340 0.000 0.000 0.278 301 L C 0.187 177.150 176.870 0.155 0.000 1.106 301 L CA -0.030 54.880 54.840 0.116 0.000 0.824 301 L CB -0.251 41.863 42.059 0.091 0.000 1.142 301 L HN 0.211 nan 8.230 nan 0.000 0.443 302 D N 2.537 123.073 120.400 0.227 0.000 2.383 302 D HA 0.013 4.653 4.640 0.000 0.000 0.245 302 D C 1.133 177.567 176.300 0.223 0.000 1.263 302 D CA 0.448 54.578 54.000 0.216 0.000 0.936 302 D CB 0.761 41.703 40.800 0.237 0.000 1.053 302 D HN 0.735 nan 8.370 nan 0.000 0.507 303 T N -0.071 114.571 114.554 0.147 0.000 3.163 303 T HA -0.066 4.284 4.350 0.000 0.000 0.260 303 T C 0.940 175.689 174.700 0.081 0.000 1.156 303 T CA 0.372 62.548 62.100 0.126 0.000 1.072 303 T CB 0.224 69.145 68.868 0.089 0.000 0.937 303 T HN 0.146 nan 8.240 nan 0.000 0.528 304 D N 0.846 121.279 120.400 0.056 0.000 2.240 304 D HA 0.106 4.746 4.640 0.000 0.000 0.206 304 D C 2.126 178.399 176.300 -0.044 0.000 0.963 304 D CA 0.484 54.490 54.000 0.009 0.000 0.863 304 D CB 0.177 40.982 40.800 0.008 0.000 0.973 304 D HN 0.348 nan 8.370 nan 0.000 0.501 305 V N -0.195 119.670 119.914 -0.081 0.000 2.725 305 V HA 0.021 4.141 4.120 0.000 0.000 0.247 305 V C 0.469 176.254 176.094 -0.515 0.000 1.058 305 V CA 0.814 62.927 62.300 -0.311 0.000 1.080 305 V CB -0.073 31.530 31.823 -0.368 0.000 0.713 305 V HN 0.023 nan 8.190 nan 0.000 0.465 306 F N 1.339 121.328 119.950 0.065 0.000 2.531 306 F HA 0.398 4.925 4.527 -0.000 0.000 0.333 306 F C -1.818 174.008 175.800 0.043 0.000 1.292 306 F CA -1.552 56.484 58.000 0.060 0.000 1.184 306 F CB 1.304 40.352 39.000 0.080 0.000 1.426 306 F HN 0.064 nan 8.300 nan 0.000 0.559 307 P HA 0.039 nan 4.420 nan 0.000 0.249 307 P C 1.370 178.737 177.300 0.112 0.000 1.229 307 P CA 0.478 63.638 63.100 0.098 0.000 0.788 307 P CB 0.373 32.099 31.700 0.043 0.000 1.072 308 A N 0.482 123.388 122.820 0.144 0.000 1.986 308 A HA -0.150 4.170 4.320 0.000 0.000 0.220 308 A C 2.221 179.918 177.584 0.189 0.000 1.171 308 A CA 1.945 54.086 52.037 0.174 0.000 0.640 308 A CB -1.537 17.557 19.000 0.157 0.000 0.811 308 A HN 0.120 nan 8.150 nan 0.000 0.451 309 V N -0.451 119.539 119.914 0.126 0.000 2.488 309 V HA -0.138 3.982 4.120 0.000 0.000 0.246 309 V C 2.504 178.609 176.094 0.019 0.000 1.046 309 V CA 2.016 64.359 62.300 0.072 0.000 1.053 309 V CB -0.618 31.247 31.823 0.071 0.000 0.679 309 V HN 0.598 nan 8.190 nan 0.000 0.458 310 E N 0.646 120.867 120.200 0.034 0.000 2.150 310 E HA -0.131 4.219 4.350 0.000 0.000 0.193 310 E C 2.003 178.582 176.600 -0.034 0.000 0.985 310 E CA 1.174 57.574 56.400 -0.001 0.000 0.814 310 E CB -0.393 29.319 29.700 0.019 0.000 0.752 310 E HN 0.552 nan 8.360 nan 0.000 0.466 311 L N -0.381 120.852 121.223 0.018 0.000 2.056 311 L HA -0.135 4.205 4.340 0.000 0.000 0.207 311 L C 2.436 179.224 176.870 -0.136 0.000 1.078 311 L CA 1.115 55.980 54.840 0.042 0.000 0.749 311 L CB -0.567 41.621 42.059 0.214 0.000 0.901 311 L HN 0.172 nan 8.230 nan 0.000 0.433 312 A N 0.127 122.748 122.820 -0.331 0.000 1.883 312 A HA -0.236 4.084 4.320 0.000 0.000 0.217 312 A C 2.382 179.622 177.584 -0.574 0.000 1.186 312 A CA 1.670 53.235 52.037 -0.787 0.000 0.624 312 A CB -0.513 18.137 19.000 -0.584 0.000 0.822 312 A HN 0.323 nan 8.150 nan 0.000 0.444 313 R N -0.752 119.496 120.500 -0.421 0.000 2.081 313 R HA -0.159 4.181 4.340 0.000 0.000 0.235 313 R C 2.522 178.478 176.300 -0.572 0.000 1.131 313 R CA 1.671 57.409 56.100 -0.603 0.000 0.960 313 R CB -0.380 29.769 30.300 -0.251 0.000 0.856 313 R HN 0.711 nan 8.270 nan 0.000 0.436 314 Q N 0.083 119.695 119.800 -0.313 0.000 2.077 314 Q HA -0.184 4.156 4.340 0.000 0.000 0.206 314 Q C 2.234 178.094 176.000 -0.233 0.000 0.989 314 Q CA 1.891 57.569 55.803 -0.209 0.000 0.853 314 Q CB -0.239 28.444 28.738 -0.091 0.000 0.907 314 Q HN 0.372 nan 8.270 nan 0.000 0.418 315 A N 0.838 123.505 122.820 -0.255 0.000 1.877 315 A HA -0.122 4.198 4.320 0.000 0.000 0.216 315 A C 2.321 179.747 177.584 -0.262 0.000 1.186 315 A CA 1.699 53.617 52.037 -0.198 0.000 0.620 315 A CB -1.279 17.613 19.000 -0.180 0.000 0.822 315 A HN 0.498 nan 8.150 nan 0.000 0.443 316 G N -0.782 107.720 108.800 -0.497 0.000 2.422 316 G HA2 -0.075 3.885 3.960 0.000 0.000 0.218 316 G HA3 -0.075 3.885 3.960 0.000 0.000 0.218 316 G C 1.496 176.165 174.900 -0.384 0.000 1.146 316 G CA 1.210 45.997 45.100 -0.522 0.000 0.769 316 G HN 0.316 nan 8.290 nan 0.000 0.547 317 V N 1.483 121.083 119.914 -0.523 0.000 2.307 317 V HA -0.090 4.030 4.120 0.000 0.000 0.245 317 V C 3.330 179.368 176.094 -0.093 0.000 1.045 317 V CA 1.890 64.070 62.300 -0.200 0.000 1.024 317 V CB -0.818 30.898 31.823 -0.178 0.000 0.651 317 V HN 0.464 nan 8.190 nan 0.000 0.449 318 A N -0.686 122.069 122.820 -0.108 0.000 1.917 318 A HA 0.157 4.477 4.320 0.000 0.000 0.219 318 A C 1.681 179.251 177.584 -0.023 0.000 1.182 318 A CA 1.911 53.917 52.037 -0.052 0.000 0.633 318 A CB -1.075 17.899 19.000 -0.044 0.000 0.819 318 A HN 1.334 nan 8.150 nan 0.000 0.448 319 G N -3.458 105.327 108.800 -0.024 0.000 2.693 319 G HA2 0.295 4.255 3.960 0.000 0.000 0.226 319 G HA3 0.295 4.255 3.960 0.000 0.000 0.226 319 G C 1.126 176.046 174.900 0.032 0.000 1.354 319 G CA 0.631 45.742 45.100 0.019 0.000 0.873 319 G HN 2.345 nan 8.290 nan 0.000 0.562 320 G N -1.994 106.833 108.800 0.045 0.000 2.675 320 G HA2 -0.208 3.752 3.960 0.000 0.000 0.312 320 G HA3 -0.208 3.752 3.960 0.000 0.000 0.312 320 G C 1.398 176.334 174.900 0.059 0.000 1.186 320 G CA 1.851 46.982 45.100 0.052 0.000 0.965 320 G HN 2.201 nan 8.290 nan 0.000 0.548 321 C N 1.530 120.881 119.300 0.085 0.000 3.104 321 C HA 0.470 4.930 4.460 0.000 0.000 0.284 321 C C 2.647 177.667 174.990 0.051 0.000 1.326 321 C CA 0.635 59.692 59.018 0.066 0.000 1.725 321 C CB -0.729 27.071 27.740 0.101 0.000 2.156 321 C HN 0.530 nan 8.230 nan 0.000 0.638 322 M N 1.650 121.290 119.600 0.066 0.000 2.229 322 M HA -0.081 4.399 4.480 0.000 0.000 0.264 322 M C 2.405 178.744 176.300 0.065 0.000 1.063 322 M CA 1.925 57.264 55.300 0.065 0.000 1.114 322 M CB -1.736 30.887 32.600 0.038 0.000 1.387 322 M HN 0.649 nan 8.290 nan 0.000 0.420 323 T N -1.291 113.287 114.554 0.039 0.000 2.904 323 T HA 0.075 4.425 4.350 0.000 0.000 0.267 323 T C 1.975 176.738 174.700 0.105 0.000 1.059 323 T CA 1.166 63.300 62.100 0.056 0.000 1.137 323 T CB -0.516 68.359 68.868 0.012 0.000 0.879 323 T HN 0.290 nan 8.240 nan 0.000 0.467 324 A N 1.460 124.307 122.820 0.046 0.000 1.908 324 A HA -0.004 4.316 4.320 0.000 0.000 0.218 324 A C 2.633 180.221 177.584 0.007 0.000 1.181 324 A CA 1.889 53.930 52.037 0.008 0.000 0.627 324 A CB -1.256 17.712 19.000 -0.054 0.000 0.818 324 A HN 0.426 nan 8.150 nan 0.000 0.445 325 V N -1.418 118.503 119.914 0.011 0.000 2.295 325 V HA -0.306 3.814 4.120 0.000 0.000 0.246 325 V C 2.331 178.490 176.094 0.108 0.000 1.049 325 V CA 2.168 64.499 62.300 0.051 0.000 1.024 325 V CB -1.171 30.711 31.823 0.098 0.000 0.648 325 V HN 0.704 nan 8.190 nan 0.000 0.447 326 Y N 1.937 122.246 120.300 0.014 0.000 2.069 326 Y HA -0.359 4.191 4.550 0.000 0.000 0.278 326 Y C 2.555 178.456 175.900 0.002 0.000 1.175 326 Y CA 2.566 60.672 58.100 0.010 0.000 1.134 326 Y CB -0.414 38.045 38.460 -0.001 0.000 0.965 326 Y HN 0.384 nan 8.280 nan 0.000 0.498 327 N N 0.054 118.812 118.700 0.097 0.000 2.171 327 N HA -0.102 4.638 4.740 0.000 0.000 0.184 327 N C 1.800 177.274 175.510 -0.060 0.000 1.021 327 N CA 1.473 54.523 53.050 0.001 0.000 0.854 327 N CB -0.557 37.989 38.487 0.099 0.000 0.994 327 N HN 0.456 nan 8.380 nan 0.000 0.426 328 A N 0.311 123.109 122.820 -0.036 0.000 1.930 328 A HA 0.112 4.432 4.320 0.000 0.000 0.217 328 A C 2.312 179.857 177.584 -0.065 0.000 1.175 328 A CA 1.718 53.727 52.037 -0.047 0.000 0.627 328 A CB -1.157 17.817 19.000 -0.042 0.000 0.815 328 A HN 0.415 nan 8.150 nan 0.000 0.443 329 A N 0.337 123.114 122.820 -0.072 0.000 1.933 329 A HA -0.219 4.101 4.320 0.000 0.000 0.218 329 A C 1.942 179.446 177.584 -0.134 0.000 1.175 329 A CA 2.106 54.090 52.037 -0.088 0.000 0.628 329 A CB -0.752 18.210 19.000 -0.064 0.000 0.814 329 A HN 0.663 nan 8.150 nan 0.000 0.444 330 N N -0.332 118.248 118.700 -0.199 0.000 2.106 330 N HA -0.166 4.574 4.740 0.000 0.000 0.188 330 N C 1.669 177.112 175.510 -0.111 0.000 1.029 330 N CA 1.630 54.559 53.050 -0.202 0.000 0.848 330 N CB -0.200 38.116 38.487 -0.286 0.000 1.007 330 N HN 0.356 nan 8.380 nan 0.000 0.423 331 E N 0.344 120.493 120.200 -0.085 0.000 2.086 331 E HA -0.241 4.109 4.350 0.000 0.000 0.200 331 E C 1.745 178.322 176.600 -0.039 0.000 1.012 331 E CA 1.163 57.533 56.400 -0.048 0.000 0.812 331 E CB -0.356 29.320 29.700 -0.040 0.000 0.743 331 E HN 0.508 nan 8.360 nan 0.000 0.453 332 E N 0.435 120.605 120.200 -0.050 0.000 2.046 332 E HA -0.040 4.310 4.350 0.000 0.000 0.190 332 E C 1.881 178.461 176.600 -0.032 0.000 0.982 332 E CA 1.367 57.742 56.400 -0.042 0.000 0.800 332 E CB -0.335 29.332 29.700 -0.055 0.000 0.756 332 E HN 0.181 nan 8.360 nan 0.000 0.449 333 A N 0.813 123.604 122.820 -0.048 0.000 1.877 333 A HA -0.051 4.269 4.320 0.000 0.000 0.216 333 A C 2.430 180.019 177.584 0.008 0.000 1.186 333 A CA 2.166 54.181 52.037 -0.038 0.000 0.620 333 A CB -1.046 17.905 19.000 -0.081 0.000 0.822 333 A HN 0.358 nan 8.150 nan 0.000 0.443 334 A N -0.217 122.603 122.820 -0.000 0.000 1.933 334 A HA 0.172 4.492 4.320 0.000 0.000 0.218 334 A C 2.467 180.123 177.584 0.120 0.000 1.175 334 A CA 2.006 54.085 52.037 0.069 0.000 0.628 334 A CB -0.918 18.101 19.000 0.031 0.000 0.814 334 A HN 1.046 nan 8.150 nan 0.000 0.444 335 A N -0.193 122.659 122.820 0.052 0.000 1.933 335 A HA 0.191 4.511 4.320 0.000 0.000 0.218 335 A C 2.464 180.065 177.584 0.029 0.000 1.175 335 A CA 1.934 53.990 52.037 0.032 0.000 0.628 335 A CB -0.875 18.128 19.000 0.005 0.000 0.814 335 A HN 0.999 nan 8.150 nan 0.000 0.444 336 A N -1.059 121.785 122.820 0.041 0.000 1.930 336 A HA 0.017 4.337 4.320 0.000 0.000 0.217 336 A C 2.014 179.640 177.584 0.070 0.000 1.175 336 A CA 1.496 53.554 52.037 0.036 0.000 0.627 336 A CB -0.699 18.318 19.000 0.028 0.000 0.815 336 A HN 0.749 nan 8.150 nan 0.000 0.443 337 F N 0.831 120.778 119.950 -0.005 0.000 2.134 337 F HA -0.133 4.395 4.527 0.001 0.000 0.299 337 F C 1.741 177.563 175.800 0.037 0.000 1.097 337 F CA 1.684 59.698 58.000 0.024 0.000 1.264 337 F CB -0.359 38.666 39.000 0.042 0.000 1.001 337 F HN 0.129 nan 8.300 nan 0.000 0.479 338 L N 0.094 121.181 121.223 -0.227 0.000 2.201 338 L HA -0.096 4.244 4.340 0.000 0.000 0.212 338 L C 2.349 179.084 176.870 -0.226 0.000 1.105 338 L CA 1.002 55.662 54.840 -0.300 0.000 0.775 338 L CB -0.949 41.059 42.059 -0.085 0.000 0.913 338 L HN 0.275 nan 8.230 nan 0.000 0.440 339 A N -0.355 122.383 122.820 -0.136 0.000 2.337 339 A HA 0.372 4.692 4.320 0.000 0.000 0.227 339 A C 1.657 179.185 177.584 -0.094 0.000 1.259 339 A CA 0.477 52.458 52.037 -0.093 0.000 0.870 339 A CB -0.585 18.385 19.000 -0.050 0.000 0.927 339 A HN 0.462 nan 8.150 nan 0.000 0.497 340 G N 0.104 108.815 108.800 -0.148 0.000 2.203 340 G HA2 -0.336 3.624 3.960 0.000 0.000 0.263 340 G HA3 -0.336 3.624 3.960 0.000 0.000 0.263 340 G C 0.959 175.841 174.900 -0.030 0.000 1.012 340 G CA 0.851 45.888 45.100 -0.105 0.000 0.749 340 G HN 0.641 nan 8.290 nan 0.000 0.512 341 R N -0.522 119.972 120.500 -0.010 0.000 2.254 341 R HA 0.380 4.721 4.340 0.000 0.000 0.195 341 R C 1.474 177.797 176.300 0.038 0.000 0.957 341 R CA 1.223 57.329 56.100 0.010 0.000 1.024 341 R CB 0.223 30.524 30.300 0.002 0.000 0.952 341 R HN 0.769 nan 8.270 nan 0.000 0.484 342 I N -4.212 116.409 120.570 0.084 0.000 3.074 342 I HA 0.621 4.792 4.170 0.000 0.000 0.310 342 I C -0.240 176.016 176.117 0.232 0.000 1.153 342 I CA -1.489 59.880 61.300 0.115 0.000 0.993 342 I CB 1.902 39.953 38.000 0.084 0.000 1.237 342 I HN -0.171 nan 8.210 nan 0.000 0.443 343 G N 0.927 109.832 108.800 0.174 0.000 2.476 343 G HA2 0.285 4.245 3.960 0.000 0.000 0.286 343 G HA3 0.285 4.245 3.960 0.000 0.000 0.286 343 G C -0.039 174.939 174.900 0.129 0.000 1.177 343 G CA -0.474 44.759 45.100 0.222 0.000 0.870 343 G HN 0.790 nan 8.290 nan 0.000 0.528 344 F N 2.462 122.314 119.950 -0.164 0.000 2.087 344 F HA -0.105 4.421 4.527 -0.000 0.000 0.299 344 F C -0.027 175.558 175.800 -0.360 0.000 1.100 344 F CA 1.995 59.592 58.000 -0.671 0.000 1.226 344 F CB -0.525 38.066 39.000 -0.683 0.000 0.983 344 F HN 0.337 nan 8.300 nan 0.000 0.479 345 P HA -0.077 nan 4.420 nan 0.000 0.225 345 P C 1.202 178.354 177.300 -0.246 0.000 1.148 345 P CA 1.744 64.696 63.100 -0.246 0.000 0.779 345 P CB -0.364 31.272 31.700 -0.107 0.000 0.780 346 A N -0.948 121.758 122.820 -0.191 0.000 2.119 346 A HA -0.077 4.244 4.320 0.000 0.000 0.217 346 A C 2.008 179.495 177.584 -0.162 0.000 1.153 346 A CA 0.670 52.629 52.037 -0.131 0.000 0.692 346 A CB -1.352 17.611 19.000 -0.061 0.000 0.799 346 A HN 0.113 nan 8.150 nan 0.000 0.458 347 I N -0.572 119.840 120.570 -0.263 0.000 2.076 347 I HA -0.254 3.916 4.170 0.000 0.000 0.237 347 I C 2.308 178.293 176.117 -0.219 0.000 1.059 347 I CA 1.579 62.725 61.300 -0.255 0.000 1.317 347 I CB -0.495 37.271 38.000 -0.390 0.000 1.037 347 I HN 0.150 nan 8.210 nan 0.000 0.398 348 V N 0.989 120.755 119.914 -0.247 0.000 2.427 348 V HA -0.157 3.963 4.120 0.000 0.000 0.248 348 V C 2.568 178.596 176.094 -0.109 0.000 1.051 348 V CA 1.938 64.141 62.300 -0.162 0.000 1.048 348 V CB -1.412 30.335 31.823 -0.127 0.000 0.666 348 V HN 0.612 nan 8.190 nan 0.000 0.456 349 G N 0.256 108.986 108.800 -0.117 0.000 2.476 349 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 349 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 349 G C 1.579 176.443 174.900 -0.060 0.000 1.164 349 G CA 1.262 46.314 45.100 -0.080 0.000 0.768 349 G HN 0.497 nan 8.290 nan 0.000 0.560 350 I N 0.516 121.042 120.570 -0.074 0.000 2.394 350 I HA -0.093 4.077 4.170 0.000 0.000 0.251 350 I C 2.578 178.665 176.117 -0.050 0.000 1.136 350 I CA 0.538 61.803 61.300 -0.058 0.000 1.425 350 I CB -0.104 37.856 38.000 -0.067 0.000 1.079 350 I HN 0.185 nan 8.210 nan 0.000 0.425 351 I N 0.542 121.067 120.570 -0.075 0.000 2.252 351 I HA -0.269 3.901 4.170 0.000 0.000 0.245 351 I C 2.797 178.924 176.117 0.017 0.000 1.102 351 I CA 1.227 62.484 61.300 -0.071 0.000 1.385 351 I CB -0.515 37.380 38.000 -0.174 0.000 1.064 351 I HN 0.167 nan 8.210 nan 0.000 0.414 352 A N 0.843 123.676 122.820 0.021 0.000 1.883 352 A HA -0.251 4.069 4.320 0.000 0.000 0.217 352 A C 1.983 179.622 177.584 0.092 0.000 1.186 352 A CA 2.204 54.275 52.037 0.056 0.000 0.624 352 A CB -0.654 18.357 19.000 0.018 0.000 0.822 352 A HN 0.356 nan 8.150 nan 0.000 0.444 353 D N -0.289 120.150 120.400 0.064 0.000 2.117 353 D HA -0.100 4.540 4.640 0.000 0.000 0.197 353 D C 2.111 178.499 176.300 0.146 0.000 0.987 353 D CA 1.499 55.559 54.000 0.101 0.000 0.829 353 D CB -0.554 40.274 40.800 0.046 0.000 0.961 353 D HN 0.228 nan 8.370 nan 0.000 0.460 354 V N 1.178 121.154 119.914 0.104 0.000 2.295 354 V HA -0.201 3.919 4.120 0.000 0.000 0.246 354 V C 2.703 178.963 176.094 0.277 0.000 1.049 354 V CA 1.078 63.465 62.300 0.144 0.000 1.024 354 V CB -0.466 31.399 31.823 0.070 0.000 0.648 354 V HN 0.177 nan 8.190 nan 0.000 0.447 355 L N -0.442 120.914 121.223 0.221 0.000 2.046 355 L HA -0.238 4.102 4.340 0.000 0.000 0.208 355 L C 2.635 179.633 176.870 0.213 0.000 1.077 355 L CA 2.066 57.038 54.840 0.220 0.000 0.747 355 L CB -0.693 41.478 42.059 0.186 0.000 0.896 355 L HN 0.502 nan 8.230 nan 0.000 0.432 356 H N -0.013 119.128 119.070 0.119 0.000 2.387 356 H HA -0.119 4.437 4.556 0.000 0.000 0.299 356 H C 1.847 177.247 175.328 0.120 0.000 1.090 356 H CA 1.502 57.606 56.048 0.092 0.000 1.332 356 H CB 0.129 29.930 29.762 0.066 0.000 1.386 356 H HN 0.283 nan 8.280 nan 0.000 0.516 357 A N -0.430 122.432 122.820 0.070 0.000 2.251 357 A HA 0.472 4.792 4.320 0.000 0.000 0.209 357 A C 1.931 179.669 177.584 0.257 0.000 1.187 357 A CA 0.543 52.644 52.037 0.106 0.000 0.823 357 A CB -0.492 18.655 19.000 0.245 0.000 0.846 357 A HN 0.544 nan 8.150 nan 0.000 0.486 358 A N -0.822 122.105 122.820 0.178 0.000 2.430 358 A HA 0.219 4.539 4.320 0.000 0.000 0.243 358 A C 1.061 178.577 177.584 -0.113 0.000 1.254 358 A CA 0.403 52.452 52.037 0.019 0.000 0.914 358 A CB -0.138 18.995 19.000 0.222 0.000 0.998 358 A HN 0.259 nan 8.150 nan 0.000 0.515 359 D N 1.254 121.589 120.400 -0.107 0.000 2.271 359 D HA -0.240 4.400 4.640 0.000 0.000 0.207 359 D C 2.168 178.345 176.300 -0.206 0.000 0.983 359 D CA 1.730 55.658 54.000 -0.119 0.000 0.878 359 D CB -0.151 40.587 40.800 -0.104 0.000 0.920 359 D HN 0.866 nan 8.370 nan 0.000 0.479 360 Q N -0.992 118.581 119.800 -0.379 0.000 2.291 360 Q HA -0.162 4.179 4.340 0.000 0.000 0.206 360 Q C 1.258 176.869 176.000 -0.648 0.000 0.976 360 Q CA 1.010 56.468 55.803 -0.575 0.000 0.875 360 Q CB -0.704 27.536 28.738 -0.829 0.000 0.927 360 Q HN 0.411 nan 8.270 nan 0.000 0.450 361 W N 0.268 121.392 121.300 -0.293 0.000 3.388 361 W HA 0.476 5.136 4.660 -0.000 0.000 0.324 361 W C 1.590 178.028 176.519 -0.135 0.000 1.250 361 W CA -0.124 57.085 57.345 -0.226 0.000 1.809 361 W CB 0.368 29.667 29.460 -0.268 0.000 1.083 361 W HN 0.207 nan 8.180 nan 0.000 0.685 362 A N 0.046 122.874 122.820 0.014 0.000 2.239 362 A HA 0.096 4.416 4.320 0.000 0.000 0.209 362 A C 0.864 178.451 177.584 0.004 0.000 1.171 362 A CA 0.390 52.433 52.037 0.009 0.000 0.768 362 A CB -0.510 18.475 19.000 -0.024 0.000 0.790 362 A HN -0.018 nan 8.150 nan 0.000 0.478 363 V N 1.657 121.566 119.914 -0.007 0.000 2.811 363 V HA 0.047 4.167 4.120 0.000 0.000 0.302 363 V C 0.356 176.473 176.094 0.037 0.000 1.063 363 V CA -0.569 61.729 62.300 -0.004 0.000 1.088 363 V CB 0.780 32.580 31.823 -0.039 0.000 0.982 363 V HN 0.427 nan 8.190 nan 0.000 0.485 364 E N 5.251 125.466 120.200 0.025 0.000 2.376 364 E HA 0.193 4.543 4.350 0.000 0.000 0.266 364 E C -2.150 174.474 176.600 0.040 0.000 1.009 364 E CA -1.462 54.957 56.400 0.032 0.000 0.902 364 E CB 0.484 30.196 29.700 0.020 0.000 0.972 364 E HN 0.483 nan 8.360 nan 0.000 0.439 365 P HA 0.113 nan 4.420 nan 0.000 0.275 365 P C -0.336 176.982 177.300 0.030 0.000 1.227 365 P CA -0.100 63.029 63.100 0.049 0.000 0.781 365 P CB 1.247 32.972 31.700 0.042 0.000 0.906 366 A N 2.516 125.353 122.820 0.030 0.000 2.085 366 A HA 0.233 4.553 4.320 0.000 0.000 0.208 366 A C 1.004 178.597 177.584 0.015 0.000 1.191 366 A CA 1.292 53.340 52.037 0.018 0.000 0.799 366 A CB -0.380 18.630 19.000 0.017 0.000 0.877 366 A HN 0.676 nan 8.150 nan 0.000 0.473 367 T N -5.447 109.118 114.554 0.020 0.000 2.865 367 T HA 0.435 4.785 4.350 0.000 0.000 0.294 367 T C 0.750 175.458 174.700 0.012 0.000 1.119 367 T CA 0.151 62.259 62.100 0.014 0.000 1.007 367 T CB 1.147 70.025 68.868 0.016 0.000 1.225 367 T HN 0.060 nan 8.240 nan 0.000 0.515 368 V N 1.219 121.135 119.914 0.005 0.000 2.469 368 V HA -0.160 3.960 4.120 0.000 0.000 0.251 368 V C 2.398 178.493 176.094 0.001 0.000 1.064 368 V CA 2.225 64.524 62.300 -0.001 0.000 1.066 368 V CB -0.760 31.060 31.823 -0.005 0.000 0.667 368 V HN 0.897 nan 8.190 nan 0.000 0.461 369 D N -0.136 120.271 120.400 0.011 0.000 2.144 369 D HA -0.162 4.478 4.640 0.000 0.000 0.199 369 D C 1.852 178.170 176.300 0.030 0.000 0.984 369 D CA 1.432 55.443 54.000 0.019 0.000 0.834 369 D CB -0.157 40.659 40.800 0.027 0.000 0.955 369 D HN 0.456 nan 8.370 nan 0.000 0.465 370 D N 0.537 120.965 120.400 0.047 0.000 2.104 370 D HA -0.123 4.517 4.640 0.000 0.000 0.194 370 D C 2.364 178.679 176.300 0.025 0.000 0.994 370 D CA 0.533 54.585 54.000 0.088 0.000 0.830 370 D CB -0.339 40.520 40.800 0.097 0.000 0.959 370 D HN 0.098 nan 8.370 nan 0.000 0.452 371 V N 1.136 121.044 119.914 -0.011 0.000 2.332 371 V HA -0.223 3.897 4.120 0.000 0.000 0.248 371 V C 2.682 178.708 176.094 -0.113 0.000 1.055 371 V CA 1.180 63.442 62.300 -0.063 0.000 1.038 371 V CB -0.564 31.238 31.823 -0.036 0.000 0.651 371 V HN 0.184 nan 8.190 nan 0.000 0.450 372 L N -0.197 120.984 121.223 -0.071 0.000 2.083 372 L HA -0.162 4.178 4.340 0.000 0.000 0.209 372 L C 2.394 179.203 176.870 -0.101 0.000 1.083 372 L CA 1.431 56.230 54.840 -0.069 0.000 0.752 372 L CB -0.728 41.314 42.059 -0.029 0.000 0.899 372 L HN 0.338 nan 8.230 nan 0.000 0.433 373 D N 0.301 120.642 120.400 -0.099 0.000 2.097 373 D HA -0.156 4.484 4.640 0.000 0.000 0.195 373 D C 2.273 178.274 176.300 -0.498 0.000 0.989 373 D CA 1.520 55.462 54.000 -0.096 0.000 0.827 373 D CB -0.140 40.741 40.800 0.134 0.000 0.966 373 D HN 0.289 nan 8.370 nan 0.000 0.456 374 A N 0.996 123.192 122.820 -1.040 0.000 1.892 374 A HA -0.289 4.031 4.320 0.000 0.000 0.218 374 A C 2.158 179.328 177.584 -0.691 0.000 1.188 374 A CA 1.890 52.944 52.037 -1.639 0.000 0.631 374 A CB -0.787 17.566 19.000 -1.079 0.000 0.822 374 A HN 0.252 nan 8.150 nan 0.000 0.447 375 Q N -1.297 118.288 119.800 -0.359 0.000 2.050 375 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 375 Q C 2.409 178.352 176.000 -0.094 0.000 0.980 375 Q CA 1.607 57.310 55.803 -0.167 0.000 0.840 375 Q CB -0.214 28.456 28.738 -0.113 0.000 0.898 375 Q HN 0.693 nan 8.270 nan 0.000 0.424 376 R N -0.048 120.404 120.500 -0.079 0.000 2.096 376 R HA -0.235 4.105 4.340 0.000 0.000 0.240 376 R C 1.924 178.247 176.300 0.037 0.000 1.139 376 R CA 2.022 58.115 56.100 -0.013 0.000 0.952 376 R CB -0.433 29.877 30.300 0.016 0.000 0.854 376 R HN 0.405 nan 8.270 nan 0.000 0.436 377 W N 0.516 121.737 121.300 -0.132 0.000 2.355 377 W HA -0.182 4.478 4.660 -0.000 0.000 0.309 377 W C 2.154 178.646 176.519 -0.045 0.000 1.206 377 W CA 2.196 59.524 57.345 -0.028 0.000 1.284 377 W CB -0.446 29.061 29.460 0.079 0.000 1.145 377 W HN 0.249 nan 8.180 nan 0.000 0.502 378 A N 0.649 123.602 122.820 0.221 0.000 1.908 378 A HA -0.215 4.105 4.320 0.000 0.000 0.218 378 A C 2.028 179.560 177.584 -0.087 0.000 1.181 378 A CA 1.911 54.003 52.037 0.092 0.000 0.627 378 A CB -0.831 18.232 19.000 0.105 0.000 0.818 378 A HN 0.406 nan 8.150 nan 0.000 0.445 379 R N -0.946 119.508 120.500 -0.076 0.000 2.081 379 R HA -0.119 4.221 4.340 0.000 0.000 0.235 379 R C 2.327 178.553 176.300 -0.122 0.000 1.131 379 R CA 1.298 57.346 56.100 -0.087 0.000 0.960 379 R CB -0.278 29.985 30.300 -0.062 0.000 0.856 379 R HN 0.619 nan 8.270 nan 0.000 0.436 380 E N 1.011 121.116 120.200 -0.157 0.000 2.051 380 E HA -0.216 4.134 4.350 0.000 0.000 0.192 380 E C 1.963 178.414 176.600 -0.248 0.000 0.991 380 E CA 1.254 57.545 56.400 -0.181 0.000 0.799 380 E CB 0.025 29.615 29.700 -0.183 0.000 0.748 380 E HN 0.037 nan 8.360 nan 0.000 0.449 381 R N 0.397 120.651 120.500 -0.411 0.000 2.105 381 R HA -0.094 4.246 4.340 0.000 0.000 0.239 381 R C 2.216 178.370 176.300 -0.242 0.000 1.135 381 R CA 1.715 57.547 56.100 -0.446 0.000 0.967 381 R CB -0.532 29.276 30.300 -0.820 0.000 0.861 381 R HN 0.186 nan 8.270 nan 0.000 0.442 382 A N -0.055 122.653 122.820 -0.187 0.000 1.898 382 A HA -0.173 4.147 4.320 0.000 0.000 0.216 382 A C 2.051 179.579 177.584 -0.094 0.000 1.181 382 A CA 1.408 53.376 52.037 -0.115 0.000 0.620 382 A CB -0.441 18.503 19.000 -0.093 0.000 0.819 382 A HN 0.485 nan 8.150 nan 0.000 0.442 383 Q N -0.726 119.015 119.800 -0.098 0.000 2.135 383 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 383 Q C 2.350 178.307 176.000 -0.071 0.000 0.981 383 Q CA 1.301 57.059 55.803 -0.075 0.000 0.856 383 Q CB -0.140 28.554 28.738 -0.073 0.000 0.902 383 Q HN 0.457 nan 8.270 nan 0.000 0.425 384 R N 0.093 120.538 120.500 -0.091 0.000 2.080 384 R HA -0.141 4.199 4.340 0.000 0.000 0.236 384 R C 2.190 178.455 176.300 -0.059 0.000 1.137 384 R CA 1.492 57.545 56.100 -0.078 0.000 0.943 384 R CB -0.895 29.345 30.300 -0.101 0.000 0.846 384 R HN 0.293 nan 8.270 nan 0.000 0.431 385 A N 0.665 123.447 122.820 -0.063 0.000 1.933 385 A HA -0.112 4.208 4.320 0.000 0.000 0.218 385 A C 2.539 180.102 177.584 -0.035 0.000 1.175 385 A CA 1.611 53.621 52.037 -0.046 0.000 0.628 385 A CB -0.572 18.399 19.000 -0.048 0.000 0.814 385 A HN 0.121 nan 8.150 nan 0.000 0.444 386 V N 0.878 120.770 119.914 -0.037 0.000 2.261 386 V HA -0.242 3.878 4.120 0.000 0.000 0.246 386 V C 2.953 179.036 176.094 -0.019 0.000 1.047 386 V CA 2.475 64.761 62.300 -0.024 0.000 1.015 386 V CB -0.884 30.925 31.823 -0.023 0.000 0.642 386 V HN 0.799 nan 8.190 nan 0.000 0.446 387 S N -0.164 115.521 115.700 -0.025 0.000 2.461 387 S HA 0.209 4.679 4.470 0.000 0.000 0.228 387 S C 1.464 176.053 174.600 -0.018 0.000 1.005 387 S CA 0.674 58.862 58.200 -0.021 0.000 0.942 387 S CB 0.294 63.478 63.200 -0.025 0.000 0.776 387 S HN 1.447 nan 8.310 nan 0.000 0.514 388 G N 1.217 110.004 108.800 -0.021 0.000 2.520 388 G HA2 -0.129 3.831 3.960 0.000 0.000 0.264 388 G HA3 -0.129 3.831 3.960 0.000 0.000 0.264 388 G C -0.382 174.506 174.900 -0.020 0.000 1.140 388 G CA 0.112 45.201 45.100 -0.018 0.000 1.012 388 G HN 0.451 nan 8.290 nan 0.000 0.511 389 M N 0.000 119.584 119.600 -0.026 0.000 2.572 389 M HA 0.000 4.480 4.480 0.000 0.000 0.227 389 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 389 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411