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 2j37_1_W DATA FIRST_RESID 8 DATA SEQUENCE RKITSALRSL SNATIINEEV LNAMLKEVCT ALLEADVNIK LVKQLRENVK DATA SEQUENCE SAIDLEEMAS GLNKRKMIQH AVFKELVKLV DPGVKAWTPT KGXXNVIMFV DATA SEQUENCE GLQGSGKTTT CSKLAYYYQR KGWKTCLICA DTFRAGAFDQ LKQNATKARI DATA SEQUENCE PFYGSYTEMD PVIIASEGVE KFKNENFEII IVDTSGRHKQ EDSLFEEMLQ DATA SEQUENCE VANAIQPDNI VYVMDASIGQ ACEAQAKAFK DKVDVASVIV TKLDGHAKGG DATA SEQUENCE GALSAVAATK SPIIFIGTGE HIDDFEPFKT QPFISKLLGM GDIEGLIDKV DATA SEQUENCE NELKLDDNEA LIEKLKHGQF TLRDMYEQFQ NIMKMGPFSQ ILGMIPGFGT DATA SEQUENCE DFMSKGNEQE SMARLKKLMT IMDSMNDQEL DSTDGAKVFS KQPGRIQRVA DATA SEQUENCE RGSGVSTRDV QELLTQYTKF AQMVKKMGGI KGLFKGGDMS KNVSQSQMAK DATA SEQUENCE LNQQMAKMMD PRVLHHMGGM AGLQSMMRQF Q 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.350 176.300 0.084 0.000 0.893 8 R CA 0.000 56.231 56.100 0.219 0.000 0.921 8 R CB 0.000 30.177 30.300 -0.205 0.000 0.687 9 K N 2.013 122.420 120.400 0.012 0.000 2.121 9 K HA 0.265 4.585 4.320 0.000 0.000 0.235 9 K C -0.019 176.594 176.600 0.022 0.000 1.200 9 K CA 0.346 56.640 56.287 0.010 0.000 1.115 9 K CB 0.344 32.837 32.500 -0.012 0.000 1.474 9 K HN 0.373 nan 8.250 nan 0.000 0.295 10 I N -0.841 119.750 120.570 0.035 0.000 5.457 10 I HA -0.205 3.966 4.170 0.000 0.000 0.343 10 I C 1.720 177.859 176.117 0.037 0.000 1.073 10 I CA 0.575 61.895 61.300 0.033 0.000 1.649 10 I CB -0.857 37.165 38.000 0.037 0.000 2.101 10 I HN 0.316 nan 8.210 nan 0.000 0.707 11 T N -0.584 114.001 114.554 0.052 0.000 3.118 11 T HA -0.039 4.311 4.350 0.000 0.000 0.269 11 T C 1.406 176.129 174.700 0.038 0.000 1.166 11 T CA 1.978 64.109 62.100 0.053 0.000 1.073 11 T CB -0.302 68.610 68.868 0.073 0.000 0.884 11 T HN 0.278 nan 8.240 nan 0.000 0.550 12 S N 1.052 116.769 115.700 0.029 0.000 2.502 12 S HA 0.465 4.935 4.470 0.000 0.000 0.228 12 S C 2.574 177.182 174.600 0.014 0.000 1.061 12 S CA 0.206 58.417 58.200 0.019 0.000 0.935 12 S CB -0.559 62.649 63.200 0.013 0.000 0.809 12 S HN 0.675 nan 8.310 nan 0.000 0.510 13 A N 3.074 125.903 122.820 0.016 0.000 2.009 13 A HA -0.145 4.175 4.320 0.000 0.000 0.222 13 A C 1.958 179.550 177.584 0.014 0.000 1.175 13 A CA 1.265 53.311 52.037 0.014 0.000 0.651 13 A CB -0.939 18.070 19.000 0.016 0.000 0.815 13 A HN 0.350 nan 8.150 nan 0.000 0.459 14 L N -0.709 120.524 121.223 0.017 0.000 1.957 14 L HA -0.229 4.111 4.340 0.000 0.000 0.228 14 L C 2.717 179.590 176.870 0.006 0.000 1.086 14 L CA 2.490 57.338 54.840 0.013 0.000 0.796 14 L CB -1.436 40.633 42.059 0.017 0.000 0.900 14 L HN 0.503 nan 8.230 nan 0.000 0.439 15 R N -0.305 120.198 120.500 0.005 0.000 2.119 15 R HA -0.049 4.291 4.340 0.000 0.000 0.222 15 R C 2.277 178.577 176.300 0.000 0.000 1.088 15 R CA 1.165 57.265 56.100 0.001 0.000 0.984 15 R CB 0.007 30.307 30.300 -0.000 0.000 0.884 15 R HN 0.375 nan 8.270 nan 0.000 0.447 16 S N 0.846 116.547 115.700 0.002 0.000 2.359 16 S HA -0.063 4.407 4.470 0.000 0.000 0.222 16 S C 0.679 175.280 174.600 0.002 0.000 1.038 16 S CA 1.412 59.612 58.200 0.001 0.000 1.051 16 S CB -0.195 63.007 63.200 0.002 0.000 0.944 16 S HN 0.422 nan 8.310 nan 0.000 0.433 17 L N -0.452 120.776 121.223 0.007 0.000 1.598 17 L HA -0.082 4.258 4.340 0.000 0.000 0.349 17 L C -0.485 176.387 176.870 0.003 0.000 1.071 17 L CA -0.373 54.470 54.840 0.005 0.000 1.192 17 L CB -0.450 41.611 42.059 0.004 0.000 0.360 17 L HN 0.349 nan 8.230 nan 0.000 0.094 18 S N 1.340 117.040 115.700 0.000 0.000 2.489 18 S HA 0.802 5.272 4.470 0.000 0.000 0.277 18 S C -0.206 174.393 174.600 -0.002 0.000 1.230 18 S CA -0.320 57.880 58.200 -0.001 0.000 1.053 18 S CB 1.924 65.121 63.200 -0.004 0.000 0.955 18 S HN 0.642 nan 8.310 nan 0.000 0.488 19 N N 1.181 119.881 118.700 -0.001 0.000 3.412 19 N HA 0.349 5.089 4.740 0.000 0.000 0.273 19 N C -0.579 174.931 175.510 -0.001 0.000 1.336 19 N CA -0.163 52.886 53.050 -0.002 0.000 0.921 19 N CB -0.157 38.328 38.487 -0.003 0.000 3.407 19 N HN 0.773 nan 8.380 nan 0.000 0.576 20 A N 0.239 123.058 122.820 -0.001 0.000 2.296 20 A HA 0.554 4.874 4.320 0.000 0.000 0.264 20 A C 0.131 177.716 177.584 0.002 0.000 1.097 20 A CA 0.429 52.466 52.037 0.000 0.000 0.811 20 A CB -0.041 18.958 19.000 -0.001 0.000 1.072 20 A HN 0.462 nan 8.150 nan 0.000 0.495 21 T N 1.503 116.059 114.554 0.003 0.000 3.293 21 T HA 0.262 4.612 4.350 0.000 0.000 0.276 21 T C 0.752 175.454 174.700 0.004 0.000 1.003 21 T CA 0.057 62.160 62.100 0.005 0.000 0.916 21 T CB -0.580 68.292 68.868 0.006 0.000 1.134 21 T HN 0.473 nan 8.240 nan 0.000 0.530 22 I N 0.432 121.004 120.570 0.003 0.000 3.578 22 I HA 0.286 4.456 4.170 0.000 0.000 0.295 22 I C 0.399 176.517 176.117 0.003 0.000 1.280 22 I CA 0.847 62.149 61.300 0.002 0.000 1.347 22 I CB 0.228 38.229 38.000 0.001 0.000 1.051 22 I HN 0.254 nan 8.210 nan 0.000 0.460 23 I N -1.163 119.409 120.570 0.004 0.000 3.095 23 I HA 0.278 4.448 4.170 0.000 0.000 0.310 23 I C -0.420 175.700 176.117 0.006 0.000 1.196 23 I CA -0.376 60.927 61.300 0.004 0.000 0.985 23 I CB 2.263 40.265 38.000 0.003 0.000 1.250 23 I HN -0.090 nan 8.210 nan 0.000 0.446 24 N N 0.157 118.861 118.700 0.007 0.000 2.626 24 N HA -0.083 4.657 4.740 0.000 0.000 0.339 24 N C 0.993 176.508 175.510 0.010 0.000 0.610 24 N CA -0.435 52.621 53.050 0.009 0.000 1.434 24 N CB 0.028 38.521 38.487 0.010 0.000 1.551 24 N HN 0.613 nan 8.380 nan 0.000 1.653 25 E N 2.036 122.242 120.200 0.009 0.000 2.072 25 E HA -0.203 4.147 4.350 0.000 0.000 0.191 25 E C 1.239 177.844 176.600 0.009 0.000 0.985 25 E CA 1.394 57.800 56.400 0.010 0.000 0.801 25 E CB 0.074 29.779 29.700 0.009 0.000 0.750 25 E HN 0.488 nan 8.360 nan 0.000 0.452 26 E N 1.295 121.499 120.200 0.008 0.000 2.038 26 E HA -0.170 4.180 4.350 0.000 0.000 0.195 26 E C 2.312 178.916 176.600 0.007 0.000 1.000 26 E CA 1.402 57.806 56.400 0.007 0.000 0.803 26 E CB -1.404 28.299 29.700 0.005 0.000 0.750 26 E HN 0.190 nan 8.360 nan 0.000 0.448 27 V N 0.967 120.885 119.914 0.008 0.000 2.277 27 V HA -0.307 3.813 4.120 0.000 0.000 0.253 27 V C 2.418 178.519 176.094 0.010 0.000 1.067 27 V CA 2.052 64.356 62.300 0.008 0.000 1.047 27 V CB -0.455 31.373 31.823 0.008 0.000 0.649 27 V HN 0.161 nan 8.190 nan 0.000 0.447 28 L N 0.413 121.643 121.223 0.012 0.000 1.913 28 L HA -0.160 4.180 4.340 0.000 0.000 0.217 28 L C 2.293 179.171 176.870 0.013 0.000 1.086 28 L CA 2.607 57.456 54.840 0.015 0.000 0.772 28 L CB -1.694 40.375 42.059 0.017 0.000 0.887 28 L HN 0.383 nan 8.230 nan 0.000 0.432 29 N N -0.621 118.086 118.700 0.011 0.000 2.096 29 N HA -0.307 4.433 4.740 0.000 0.000 0.195 29 N C 1.622 177.137 175.510 0.009 0.000 1.017 29 N CA 1.407 54.463 53.050 0.010 0.000 0.870 29 N CB -0.157 38.335 38.487 0.008 0.000 1.024 29 N HN 0.450 nan 8.380 nan 0.000 0.434 30 A N 2.147 124.972 122.820 0.008 0.000 1.836 30 A HA -0.263 4.057 4.320 0.000 0.000 0.215 30 A C 2.223 179.812 177.584 0.008 0.000 1.214 30 A CA 1.941 53.982 52.037 0.007 0.000 0.636 30 A CB -1.120 17.884 19.000 0.006 0.000 0.847 30 A HN 0.344 nan 8.150 nan 0.000 0.451 31 M N -1.213 118.392 119.600 0.010 0.000 2.190 31 M HA -0.303 4.177 4.480 0.000 0.000 0.252 31 M C 1.853 178.161 176.300 0.013 0.000 1.076 31 M CA 2.409 57.716 55.300 0.012 0.000 1.079 31 M CB -0.518 32.091 32.600 0.014 0.000 1.303 31 M HN 0.363 nan 8.290 nan 0.000 0.412 32 L N 0.880 122.111 121.223 0.013 0.000 1.929 32 L HA -0.301 4.039 4.340 0.000 0.000 0.229 32 L C 2.415 179.291 176.870 0.010 0.000 1.086 32 L CA 2.037 56.885 54.840 0.013 0.000 0.798 32 L CB -1.567 40.499 42.059 0.012 0.000 0.898 32 L HN 0.262 nan 8.230 nan 0.000 0.436 33 K N -0.280 120.125 120.400 0.008 0.000 2.097 33 K HA -0.273 4.047 4.320 0.000 0.000 0.214 33 K C 1.999 178.603 176.600 0.007 0.000 1.052 33 K CA 1.639 57.930 56.287 0.007 0.000 0.932 33 K CB -0.699 31.804 32.500 0.006 0.000 0.716 33 K HN 0.437 nan 8.250 nan 0.000 0.455 34 E N 1.081 121.285 120.200 0.007 0.000 2.013 34 E HA -0.189 4.161 4.350 0.000 0.000 0.202 34 E C 2.036 178.641 176.600 0.009 0.000 1.018 34 E CA 1.631 58.036 56.400 0.008 0.000 0.834 34 E CB -0.513 29.192 29.700 0.008 0.000 0.770 34 E HN 0.052 nan 8.360 nan 0.000 0.459 35 V N 1.183 121.104 119.914 0.011 0.000 2.220 35 V HA -0.368 3.752 4.120 0.000 0.000 0.250 35 V C 2.705 178.804 176.094 0.009 0.000 1.056 35 V CA 2.595 64.903 62.300 0.012 0.000 1.016 35 V CB -0.794 31.038 31.823 0.015 0.000 0.639 35 V HN 0.577 nan 8.190 nan 0.000 0.446 36 C N -0.166 119.139 119.300 0.007 0.000 2.398 36 C HA -0.186 4.274 4.460 0.000 0.000 0.279 36 C C 2.680 177.672 174.990 0.004 0.000 1.250 36 C CA 1.737 60.757 59.018 0.005 0.000 1.786 36 C CB -1.883 25.859 27.740 0.005 0.000 2.018 36 C HN 0.772 nan 8.230 nan 0.000 0.494 37 T N 1.298 115.855 114.554 0.005 0.000 2.643 37 T HA -0.050 4.300 4.350 0.000 0.000 0.256 37 T C 2.208 176.911 174.700 0.005 0.000 1.061 37 T CA 1.573 63.675 62.100 0.004 0.000 1.163 37 T CB -0.669 68.201 68.868 0.004 0.000 0.865 37 T HN 0.590 nan 8.240 nan 0.000 0.407 38 A N 0.745 123.569 122.820 0.008 0.000 2.204 38 A HA -0.066 4.254 4.320 0.000 0.000 0.220 38 A C 1.939 179.531 177.584 0.013 0.000 1.165 38 A CA 1.168 53.211 52.037 0.011 0.000 0.671 38 A CB -0.796 18.214 19.000 0.018 0.000 0.792 38 A HN 0.299 nan 8.150 nan 0.000 0.473 39 L N -1.693 119.535 121.223 0.007 0.000 1.972 39 L HA 0.043 4.383 4.340 0.000 0.000 0.209 39 L C 2.156 179.027 176.870 0.002 0.000 1.125 39 L CA 2.105 56.946 54.840 0.002 0.000 0.784 39 L CB -0.858 41.199 42.059 -0.003 0.000 0.902 39 L HN 0.480 nan 8.230 nan 0.000 0.444 40 L N -4.144 117.080 121.223 0.001 0.000 3.223 40 L HA 0.392 4.732 4.340 0.000 0.000 0.168 40 L C 0.733 177.604 176.870 0.001 0.000 1.239 40 L CA -0.342 54.499 54.840 0.000 0.000 0.856 40 L CB -1.093 40.967 42.059 0.001 0.000 1.415 40 L HN 0.158 nan 8.230 nan 0.000 0.562 41 E N 0.649 120.850 120.200 0.001 0.000 9.125 41 E HA -0.286 4.065 4.350 0.000 0.000 0.418 41 E C 0.019 176.620 176.600 0.001 0.000 1.399 41 E CA 0.293 56.694 56.400 0.001 0.000 2.428 41 E CB 0.050 29.751 29.700 0.002 0.000 1.064 41 E HN 0.566 nan 8.360 nan 0.000 0.392 42 A N 2.258 125.079 122.820 0.001 0.000 2.573 42 A HA 0.068 4.388 4.320 0.000 0.000 0.250 42 A C 0.850 178.434 177.584 0.001 0.000 1.049 42 A CA 1.217 53.255 52.037 0.001 0.000 0.767 42 A CB 0.062 19.062 19.000 0.001 0.000 0.965 42 A HN 0.829 nan 8.150 nan 0.000 0.514 43 D N 0.553 120.953 120.400 0.001 0.000 2.661 43 D HA -0.175 4.466 4.640 0.000 0.000 0.183 43 D C 0.575 176.876 176.300 0.001 0.000 0.935 43 D CA 1.722 55.722 54.000 0.001 0.000 1.004 43 D CB -1.410 39.391 40.800 0.001 0.000 1.053 43 D HN 0.314 nan 8.370 nan 0.000 0.459 44 V N 0.674 120.589 119.914 0.002 0.000 2.300 44 V HA 0.072 4.192 4.120 0.000 0.000 0.241 44 V C 2.055 178.150 176.094 0.002 0.000 1.034 44 V CA 1.763 64.064 62.300 0.002 0.000 1.021 44 V CB -0.319 31.505 31.823 0.002 0.000 0.662 44 V HN 0.242 nan 8.190 nan 0.000 0.458 45 N N -1.327 117.374 118.700 0.003 0.000 2.282 45 N HA 0.374 5.114 4.740 0.000 0.000 0.185 45 N C 0.349 175.861 175.510 0.005 0.000 1.099 45 N CA 0.386 53.438 53.050 0.004 0.000 0.878 45 N CB 2.214 40.703 38.487 0.005 0.000 0.993 45 N HN 0.447 nan 8.380 nan 0.000 0.481 46 I N -1.726 118.846 120.570 0.003 0.000 2.541 46 I HA -0.019 4.151 4.170 0.000 0.000 0.320 46 I C -0.865 175.253 176.117 0.002 0.000 2.258 46 I CA -0.229 61.073 61.300 0.003 0.000 0.994 46 I CB 0.601 38.603 38.000 0.004 0.000 1.600 46 I HN -0.317 nan 8.210 nan 0.000 0.548 47 K N -0.133 120.268 120.400 0.001 0.000 1.730 47 K HA 0.070 4.390 4.320 0.000 0.000 0.106 47 K C 0.946 177.547 176.600 0.001 0.000 2.380 47 K CA 0.668 56.955 56.287 0.001 0.000 1.129 47 K CB -0.460 32.041 32.500 0.001 0.000 2.650 47 K HN 0.542 nan 8.250 nan 0.000 0.393 48 L N 2.592 123.815 121.223 0.001 0.000 1.924 48 L HA -0.252 4.088 4.340 0.000 0.000 0.234 48 L C 2.309 179.179 176.870 0.000 0.000 1.090 48 L CA 3.105 57.946 54.840 0.001 0.000 0.816 48 L CB -0.834 41.225 42.059 0.001 0.000 0.901 48 L HN 0.171 nan 8.230 nan 0.000 0.433 49 V N -1.909 118.005 119.914 -0.000 0.000 2.407 49 V HA -0.548 3.572 4.120 0.000 0.000 0.239 49 V C 2.383 178.478 176.094 0.001 0.000 1.082 49 V CA 3.136 65.436 62.300 -0.001 0.000 1.094 49 V CB -1.813 30.010 31.823 -0.000 0.000 0.923 49 V HN 0.777 nan 8.190 nan 0.000 0.471 50 K N 0.188 120.589 120.400 0.001 0.000 2.066 50 K HA -0.418 3.902 4.320 0.000 0.000 0.221 50 K C 2.442 179.044 176.600 0.002 0.000 1.056 50 K CA 2.837 59.125 56.287 0.002 0.000 0.950 50 K CB -0.449 32.052 32.500 0.002 0.000 0.726 50 K HN 0.823 nan 8.250 nan 0.000 0.456 51 Q N -0.119 119.682 119.800 0.002 0.000 1.998 51 Q HA -0.241 4.099 4.340 0.000 0.000 0.209 51 Q C 2.130 178.131 176.000 0.002 0.000 1.002 51 Q CA 2.143 57.947 55.803 0.002 0.000 0.858 51 Q CB -0.127 28.612 28.738 0.001 0.000 0.932 51 Q HN 0.322 nan 8.270 nan 0.000 0.416 52 L N 0.367 121.591 121.223 0.001 0.000 1.955 52 L HA -0.213 4.127 4.340 0.000 0.000 0.213 52 L C 2.536 179.408 176.870 0.003 0.000 1.072 52 L CA 1.954 56.794 54.840 0.001 0.000 0.755 52 L CB -1.332 40.725 42.059 -0.002 0.000 0.888 52 L HN 0.278 nan 8.230 nan 0.000 0.432 53 R N -0.261 120.242 120.500 0.004 0.000 2.211 53 R HA -0.170 4.170 4.340 0.000 0.000 0.240 53 R C 2.087 178.391 176.300 0.007 0.000 1.144 53 R CA 0.721 56.825 56.100 0.006 0.000 0.992 53 R CB -0.329 29.974 30.300 0.005 0.000 0.869 53 R HN 0.441 nan 8.270 nan 0.000 0.462 54 E N 0.546 120.749 120.200 0.006 0.000 2.012 54 E HA -0.117 4.233 4.350 0.000 0.000 0.192 54 E C 1.335 177.940 176.600 0.007 0.000 0.977 54 E CA 0.822 57.225 56.400 0.006 0.000 0.832 54 E CB -0.195 29.507 29.700 0.004 0.000 0.790 54 E HN 0.172 nan 8.360 nan 0.000 0.466 55 N N 1.291 119.995 118.700 0.007 0.000 2.089 55 N HA -0.221 4.519 4.740 0.000 0.000 0.198 55 N C 1.956 177.473 175.510 0.012 0.000 1.017 55 N CA 1.423 54.477 53.050 0.008 0.000 0.880 55 N CB -1.152 37.339 38.487 0.006 0.000 1.042 55 N HN 0.129 nan 8.380 nan 0.000 0.446 56 V N 1.955 121.877 119.914 0.013 0.000 2.225 56 V HA -0.358 3.762 4.120 0.000 0.000 0.252 56 V C 2.265 178.370 176.094 0.018 0.000 1.055 56 V CA 2.107 64.418 62.300 0.018 0.000 1.032 56 V CB -0.326 31.508 31.823 0.018 0.000 0.655 56 V HN 0.299 nan 8.190 nan 0.000 0.458 57 K N 0.048 120.456 120.400 0.014 0.000 2.000 57 K HA -0.193 4.127 4.320 0.000 0.000 0.218 57 K C 2.253 178.860 176.600 0.012 0.000 1.053 57 K CA 2.098 58.392 56.287 0.013 0.000 0.946 57 K CB -1.241 31.265 32.500 0.010 0.000 0.723 57 K HN 0.656 nan 8.250 nan 0.000 0.446 58 S N 1.251 116.957 115.700 0.010 0.000 2.427 58 S HA -0.338 4.132 4.470 0.000 0.000 0.261 58 S C 2.089 176.695 174.600 0.011 0.000 1.091 58 S CA 2.160 60.365 58.200 0.009 0.000 1.251 58 S CB -0.866 62.339 63.200 0.008 0.000 1.160 58 S HN 0.569 nan 8.310 nan 0.000 0.436 59 A N 2.443 125.271 122.820 0.013 0.000 1.863 59 A HA -0.215 4.105 4.320 0.000 0.000 0.218 59 A C 1.999 179.592 177.584 0.015 0.000 1.233 59 A CA 2.083 54.130 52.037 0.015 0.000 0.655 59 A CB -1.199 17.814 19.000 0.021 0.000 0.839 59 A HN 0.411 nan 8.150 nan 0.000 0.454 60 I N 0.768 121.348 120.570 0.017 0.000 2.419 60 I HA -0.304 3.866 4.170 0.000 0.000 0.229 60 I C 0.762 176.886 176.117 0.012 0.000 0.948 60 I CA 2.168 63.477 61.300 0.016 0.000 1.247 60 I CB -1.881 36.129 38.000 0.016 0.000 0.956 60 I HN 0.413 nan 8.210 nan 0.000 0.388 61 D N 1.011 121.417 120.400 0.010 0.000 2.841 61 D HA 0.190 4.830 4.640 0.000 0.000 0.244 61 D C 1.261 177.564 176.300 0.006 0.000 1.228 61 D CA 0.339 54.343 54.000 0.007 0.000 0.872 61 D CB -0.062 40.742 40.800 0.007 0.000 1.082 61 D HN 0.412 nan 8.370 nan 0.000 0.457 62 L N 0.041 121.268 121.223 0.007 0.000 4.496 62 L HA 0.047 4.387 4.340 0.000 0.000 0.451 62 L C -0.689 176.184 176.870 0.005 0.000 1.083 62 L CA -0.098 54.745 54.840 0.005 0.000 1.633 62 L CB 0.223 42.285 42.059 0.006 0.000 1.550 62 L HN 0.014 nan 8.230 nan 0.000 0.593 63 E N -0.317 119.886 120.200 0.006 0.000 2.402 63 E HA 0.581 4.931 4.350 0.000 0.000 0.270 63 E C -1.572 175.031 176.600 0.004 0.000 1.131 63 E CA -0.892 55.511 56.400 0.004 0.000 0.884 63 E CB 1.523 31.226 29.700 0.006 0.000 1.564 63 E HN 0.066 nan 8.360 nan 0.000 0.456 64 E N 0.013 120.214 120.200 0.001 0.000 2.396 64 E HA 0.299 4.649 4.350 0.000 0.000 0.280 64 E C -0.645 175.951 176.600 -0.007 0.000 1.065 64 E CA -1.097 55.303 56.400 0.001 0.000 0.831 64 E CB 0.584 30.284 29.700 -0.000 0.000 1.272 64 E HN 0.574 nan 8.360 nan 0.000 0.443 65 M N 0.955 120.551 119.600 -0.006 0.000 2.217 65 M HA 0.605 5.085 4.480 0.000 0.000 0.352 65 M C 0.094 176.380 176.300 -0.023 0.000 1.376 65 M CA -0.394 54.894 55.300 -0.020 0.000 1.107 65 M CB -0.244 32.352 32.600 -0.007 0.000 1.723 65 M HN 0.735 nan 8.290 nan 0.000 0.461 66 A N 4.446 127.244 122.820 -0.037 0.000 2.603 66 A HA 0.277 4.597 4.320 0.000 0.000 0.235 66 A C 0.990 178.560 177.584 -0.024 0.000 1.035 66 A CA 0.468 52.486 52.037 -0.031 0.000 0.755 66 A CB -0.654 18.322 19.000 -0.040 0.000 0.954 66 A HN 1.124 nan 8.150 nan 0.000 0.511 67 S N 2.239 117.930 115.700 -0.015 0.000 2.614 67 S HA 0.369 4.839 4.470 0.000 0.000 0.251 67 S C 1.213 175.807 174.600 -0.011 0.000 1.388 67 S CA 0.329 58.523 58.200 -0.010 0.000 0.973 67 S CB -0.270 62.925 63.200 -0.007 0.000 0.926 67 S HN 2.596 nan 8.310 nan 0.000 0.580 68 G N -0.470 108.326 108.800 -0.006 0.000 2.314 68 G HA2 -0.110 3.850 3.960 0.000 0.000 0.292 68 G HA3 -0.110 3.850 3.960 0.000 0.000 0.292 68 G C -0.396 174.502 174.900 -0.004 0.000 1.059 68 G CA 0.352 45.449 45.100 -0.005 0.000 0.982 68 G HN 1.527 nan 8.290 nan 0.000 0.505 69 L N -0.973 120.249 121.223 -0.000 0.000 3.586 69 L HA 0.252 4.592 4.340 0.000 0.000 0.267 69 L C -0.163 176.715 176.870 0.014 0.000 0.980 69 L CA -1.025 53.818 54.840 0.007 0.000 1.199 69 L CB 0.776 42.834 42.059 -0.001 0.000 1.946 69 L HN 0.208 nan 8.230 nan 0.000 0.595 70 N N 3.884 122.597 118.700 0.020 0.000 2.217 70 N HA -0.120 4.620 4.740 0.000 0.000 0.268 70 N C 0.877 176.408 175.510 0.034 0.000 1.290 70 N CA 1.026 54.090 53.050 0.023 0.000 0.831 70 N CB 0.995 39.496 38.487 0.023 0.000 1.057 70 N HN 0.729 nan 8.380 nan 0.000 0.481 71 K N 4.092 124.509 120.400 0.028 0.000 1.987 71 K HA -0.275 4.045 4.320 0.000 0.000 0.216 71 K C 1.792 178.421 176.600 0.049 0.000 1.051 71 K CA 1.542 57.850 56.287 0.035 0.000 0.942 71 K CB -0.177 32.338 32.500 0.025 0.000 0.722 71 K HN 0.643 nan 8.250 nan 0.000 0.444 72 R N 0.717 121.240 120.500 0.038 0.000 2.261 72 R HA -0.326 4.014 4.340 0.000 0.000 0.252 72 R C 1.920 178.248 176.300 0.048 0.000 1.116 72 R CA 2.725 58.846 56.100 0.036 0.000 0.942 72 R CB -0.260 30.054 30.300 0.024 0.000 0.932 72 R HN 0.112 nan 8.270 nan 0.000 0.441 73 K N 0.157 120.591 120.400 0.058 0.000 1.969 73 K HA -0.206 4.114 4.320 0.000 0.000 0.223 73 K C 1.921 178.626 176.600 0.175 0.000 1.048 73 K CA 2.005 58.339 56.287 0.078 0.000 0.983 73 K CB -0.671 31.895 32.500 0.109 0.000 0.738 73 K HN 0.143 nan 8.250 nan 0.000 0.446 74 M N 0.804 120.575 119.600 0.285 0.000 2.720 74 M HA -0.317 4.163 4.480 0.000 0.000 0.258 74 M C 1.528 177.998 176.300 0.283 0.000 1.023 74 M CA 1.799 57.291 55.300 0.320 0.000 1.039 74 M CB -0.751 31.901 32.600 0.087 0.000 1.324 74 M HN 0.283 nan 8.290 nan 0.000 0.470 75 I N -0.221 120.435 120.570 0.143 0.000 2.181 75 I HA -0.467 3.703 4.170 0.000 0.000 0.240 75 I C 2.314 178.498 176.117 0.111 0.000 1.006 75 I CA 2.500 63.859 61.300 0.098 0.000 1.284 75 I CB -2.016 36.022 38.000 0.064 0.000 0.990 75 I HN 0.586 nan 8.210 nan 0.000 0.408 76 Q N -0.411 119.442 119.800 0.087 0.000 1.967 76 Q HA -0.274 4.067 4.340 0.000 0.000 0.210 76 Q C 2.177 178.222 176.000 0.075 0.000 1.005 76 Q CA 2.334 58.156 55.803 0.031 0.000 0.862 76 Q CB -0.516 28.154 28.738 -0.113 0.000 0.939 76 Q HN 0.628 nan 8.270 nan 0.000 0.417 77 H N 0.244 119.359 119.070 0.076 0.000 2.330 77 H HA -0.258 4.298 4.556 0.000 0.000 0.290 77 H C 1.990 177.411 175.328 0.155 0.000 1.111 77 H CA 1.840 57.949 56.048 0.101 0.000 1.226 77 H CB -0.484 29.308 29.762 0.050 0.000 1.355 77 H HN 0.432 nan 8.280 nan 0.000 0.485 78 A N 0.731 123.702 122.820 0.252 0.000 1.858 78 A HA -0.179 4.141 4.320 0.000 0.000 0.216 78 A C 2.685 180.345 177.584 0.127 0.000 1.190 78 A CA 2.376 54.507 52.037 0.156 0.000 0.617 78 A CB -1.277 17.786 19.000 0.105 0.000 0.827 78 A HN 0.364 nan 8.150 nan 0.000 0.443 79 V N -2.274 117.711 119.914 0.117 0.000 2.220 79 V HA -0.352 3.768 4.120 0.000 0.000 0.250 79 V C 2.249 178.409 176.094 0.110 0.000 1.053 79 V CA 2.574 64.930 62.300 0.093 0.000 1.019 79 V CB -1.591 30.281 31.823 0.082 0.000 0.646 79 V HN 0.521 nan 8.190 nan 0.000 0.455 80 F N 2.247 122.207 119.950 0.018 0.000 2.085 80 F HA -0.240 4.287 4.527 0.000 0.000 0.299 80 F C 2.480 178.302 175.800 0.037 0.000 1.096 80 F CA 2.759 60.772 58.000 0.022 0.000 1.227 80 F CB -0.458 38.542 39.000 -0.001 0.000 0.983 80 F HN 0.181 nan 8.300 nan 0.000 0.482 81 K N 0.005 120.522 120.400 0.196 0.000 2.026 81 K HA -0.192 4.128 4.320 0.000 0.000 0.208 81 K C 1.964 178.533 176.600 -0.052 0.000 1.048 81 K CA 1.968 58.302 56.287 0.079 0.000 0.929 81 K CB -0.415 32.188 32.500 0.171 0.000 0.713 81 K HN 0.441 nan 8.250 nan 0.000 0.439 82 E N 1.025 121.216 120.200 -0.016 0.000 2.150 82 E HA -0.128 4.222 4.350 0.000 0.000 0.193 82 E C 2.061 178.619 176.600 -0.070 0.000 0.985 82 E CA 0.668 57.050 56.400 -0.029 0.000 0.814 82 E CB -0.127 29.572 29.700 -0.002 0.000 0.752 82 E HN 0.239 nan 8.360 nan 0.000 0.466 83 L N 0.616 121.769 121.223 -0.117 0.000 2.079 83 L HA -0.193 4.147 4.340 0.000 0.000 0.210 83 L C 2.420 179.199 176.870 -0.151 0.000 1.081 83 L CA 0.797 55.555 54.840 -0.136 0.000 0.752 83 L CB -0.500 41.455 42.059 -0.174 0.000 0.896 83 L HN 0.063 nan 8.230 nan 0.000 0.433 84 V N -0.193 119.573 119.914 -0.247 0.000 2.427 84 V HA -0.232 3.888 4.120 0.000 0.000 0.248 84 V C 2.382 178.430 176.094 -0.076 0.000 1.051 84 V CA 1.539 63.734 62.300 -0.175 0.000 1.048 84 V CB -0.526 31.145 31.823 -0.253 0.000 0.666 84 V HN 0.433 nan 8.190 nan 0.000 0.456 85 K N 0.001 120.346 120.400 -0.092 0.000 2.209 85 K HA -0.048 4.272 4.320 0.000 0.000 0.204 85 K C 1.811 178.397 176.600 -0.024 0.000 1.048 85 K CA 1.130 57.391 56.287 -0.043 0.000 0.940 85 K CB -0.144 32.337 32.500 -0.032 0.000 0.729 85 K HN 0.408 nan 8.250 nan 0.000 0.451 86 L N -0.154 121.052 121.223 -0.027 0.000 2.554 86 L HA 0.027 4.367 4.340 0.000 0.000 0.225 86 L C 1.282 178.155 176.870 0.006 0.000 1.104 86 L CA 0.206 55.040 54.840 -0.011 0.000 0.866 86 L CB 0.631 42.680 42.059 -0.018 0.000 1.047 86 L HN -0.110 nan 8.230 nan 0.000 0.468 87 V N -2.094 117.834 119.914 0.023 0.000 3.392 87 V HA 0.294 4.414 4.120 0.000 0.000 0.294 87 V C -0.964 175.197 176.094 0.112 0.000 1.561 87 V CA -0.054 62.288 62.300 0.070 0.000 1.056 87 V CB 0.571 32.443 31.823 0.081 0.000 0.882 87 V HN 0.261 nan 8.190 nan 0.000 0.440 88 D N -0.518 119.919 120.400 0.062 0.000 3.255 88 D HA 0.167 4.807 4.640 0.000 0.000 0.306 88 D C -3.351 172.931 176.300 -0.029 0.000 1.089 88 D CA -0.107 53.903 54.000 0.016 0.000 0.708 88 D CB 1.019 41.831 40.800 0.021 0.000 1.385 88 D HN 0.051 nan 8.370 nan 0.000 0.492 89 P HA 0.619 nan 4.420 nan 0.000 0.323 89 P C -1.040 176.222 177.300 -0.063 0.000 1.596 89 P CA -0.350 62.713 63.100 -0.061 0.000 1.278 89 P CB 2.522 34.193 31.700 -0.050 0.000 1.544 90 G N 0.645 109.392 108.800 -0.089 0.000 2.694 90 G HA2 0.534 4.494 3.960 0.000 0.000 0.290 90 G HA3 0.534 4.494 3.960 0.000 0.000 0.290 90 G C -0.319 174.511 174.900 -0.116 0.000 1.386 90 G CA -0.591 44.449 45.100 -0.100 0.000 0.872 90 G HN 0.202 nan 8.290 nan 0.000 0.475 91 V N -0.097 119.749 119.914 -0.113 0.000 2.939 91 V HA 0.162 4.282 4.120 0.000 0.000 0.228 91 V C 2.139 178.155 176.094 -0.131 0.000 1.162 91 V CA 1.110 63.346 62.300 -0.108 0.000 1.222 91 V CB -0.784 30.996 31.823 -0.072 0.000 1.053 91 V HN 0.744 nan 8.190 nan 0.000 0.504 92 K N 0.854 121.175 120.400 -0.132 0.000 2.609 92 K HA -0.104 4.216 4.320 0.000 0.000 0.183 92 K C 0.479 177.044 176.600 -0.059 0.000 0.667 92 K CA 1.714 57.947 56.287 -0.091 0.000 0.842 92 K CB -0.532 31.894 32.500 -0.124 0.000 0.257 92 K HN 0.901 nan 8.250 nan 0.000 1.065 93 A N -2.615 120.120 122.820 -0.142 0.000 2.435 93 A HA 0.025 4.345 4.320 0.000 0.000 0.685 93 A C -1.381 176.250 177.584 0.079 0.000 0.142 93 A CA -0.400 51.502 52.037 -0.224 0.000 0.039 93 A CB -1.242 17.655 19.000 -0.170 0.000 3.967 93 A HN 0.430 nan 8.150 nan 0.000 0.547 94 W N 0.653 121.923 121.300 -0.050 0.000 2.209 94 W HA 0.472 5.132 4.660 0.000 0.000 0.344 94 W C 1.263 177.811 176.519 0.049 0.000 1.285 94 W CA 0.849 58.199 57.345 0.008 0.000 1.267 94 W CB 0.353 29.838 29.460 0.042 0.000 1.167 94 W HN 1.049 nan 8.180 nan 0.000 0.574 95 T N 5.263 119.943 114.554 0.210 0.000 2.753 95 T HA 0.445 4.795 4.350 0.000 0.000 0.297 95 T C -2.079 172.668 174.700 0.079 0.000 0.981 95 T CA -1.642 60.544 62.100 0.143 0.000 0.956 95 T CB 0.308 69.229 68.868 0.089 0.000 0.936 95 T HN 0.083 nan 8.240 nan 0.000 0.463 96 P HA 0.543 nan 4.420 nan 0.000 0.285 96 P C -0.399 176.930 177.300 0.048 0.000 1.269 96 P CA -0.476 62.572 63.100 -0.087 0.000 0.844 96 P CB 1.457 32.892 31.700 -0.443 0.000 1.094 97 T N -2.169 112.376 114.554 -0.014 0.000 2.718 97 T HA 0.359 4.709 4.350 0.000 0.000 0.267 97 T C 1.225 176.023 174.700 0.163 0.000 0.957 97 T CA -0.720 61.435 62.100 0.092 0.000 1.025 97 T CB 0.683 69.569 68.868 0.031 0.000 1.355 97 T HN 0.107 nan 8.240 nan 0.000 0.572 98 K N 0.429 120.921 120.400 0.154 0.000 2.044 98 K HA 0.058 4.378 4.320 0.000 0.000 0.210 98 K C 1.263 177.953 176.600 0.149 0.000 1.049 98 K CA 1.737 58.131 56.287 0.178 0.000 0.927 98 K CB -0.908 31.658 32.500 0.111 0.000 0.713 98 K HN 0.795 nan 8.250 nan 0.000 0.443 103 V N 2.197 122.012 119.914 -0.165 0.000 2.482 103 V HA 0.611 4.731 4.120 0.000 0.000 0.295 103 V C -0.470 175.531 176.094 -0.155 0.000 1.026 103 V CA -0.631 61.598 62.300 -0.118 0.000 0.856 103 V CB 0.980 32.791 31.823 -0.020 0.000 1.001 103 V HN 0.610 nan 8.190 nan 0.000 0.424 104 I N 1.890 122.355 120.570 -0.174 0.000 2.693 104 I HA 0.773 4.943 4.170 0.000 0.000 0.303 104 I C -0.579 175.393 176.117 -0.242 0.000 1.025 104 I CA -0.915 60.222 61.300 -0.271 0.000 1.086 104 I CB 2.298 40.082 38.000 -0.359 0.000 1.268 104 I HN 0.446 nan 8.210 nan 0.000 0.440 105 M N 3.741 123.178 119.600 -0.271 0.000 2.436 105 M HA 0.510 4.990 4.480 0.000 0.000 0.331 105 M C -1.519 174.604 176.300 -0.295 0.000 1.135 105 M CA -0.326 54.875 55.300 -0.164 0.000 0.987 105 M CB 2.211 34.785 32.600 -0.044 0.000 1.687 105 M HN 0.446 nan 8.290 nan 0.000 0.445 106 F N 2.345 122.337 119.950 0.070 0.000 2.426 106 F HA 0.636 5.163 4.527 0.000 0.000 0.348 106 F C -0.048 175.772 175.800 0.033 0.000 1.124 106 F CA -0.860 57.174 58.000 0.058 0.000 1.008 106 F CB 1.363 40.385 39.000 0.035 0.000 1.139 106 F HN 0.297 nan 8.300 nan 0.000 0.452 107 V N 0.479 120.472 119.914 0.131 0.000 3.102 107 V HA 1.112 5.232 4.120 0.000 0.000 0.312 107 V C -0.299 175.712 176.094 -0.139 0.000 1.135 107 V CA -0.681 61.655 62.300 0.061 0.000 1.022 107 V CB 1.402 33.300 31.823 0.126 0.000 1.056 107 V HN 1.103 nan 8.190 nan 0.000 0.436 108 G N 0.914 109.572 108.800 -0.238 0.000 2.356 108 G HA2 0.428 4.388 3.960 0.000 0.000 0.300 108 G HA3 0.428 4.388 3.960 0.000 0.000 0.300 108 G C -0.964 173.939 174.900 0.005 0.000 1.331 108 G CA -0.556 44.333 45.100 -0.352 0.000 0.905 108 G HN 2.050 nan 8.290 nan 0.000 0.587 109 L N -1.358 119.919 121.223 0.090 0.000 2.482 109 L HA 0.733 5.073 4.340 0.000 0.000 0.273 109 L C 0.667 177.575 176.870 0.064 0.000 1.228 109 L CA -0.561 54.366 54.840 0.144 0.000 0.827 109 L CB 0.394 42.527 42.059 0.123 0.000 1.099 109 L HN 0.644 nan 8.230 nan 0.000 0.494 110 Q N 1.504 121.345 119.800 0.069 0.000 2.274 110 Q HA 0.354 4.694 4.340 0.000 0.000 0.280 110 Q C 0.835 176.839 176.000 0.008 0.000 1.047 110 Q CA 1.362 57.184 55.803 0.031 0.000 0.907 110 Q CB 0.506 29.262 28.738 0.030 0.000 1.171 110 Q HN 1.053 nan 8.270 nan 0.000 0.381 111 G N 2.697 111.488 108.800 -0.015 0.000 2.157 111 G HA2 -0.290 3.670 3.960 0.000 0.000 0.248 111 G HA3 -0.290 3.670 3.960 0.000 0.000 0.248 111 G C 0.911 175.785 174.900 -0.045 0.000 0.979 111 G CA 0.500 45.583 45.100 -0.029 0.000 0.650 111 G HN 0.611 nan 8.290 nan 0.000 0.529 112 S N -0.452 115.211 115.700 -0.061 0.000 2.447 112 S HA 0.337 4.807 4.470 0.000 0.000 0.233 112 S C 2.057 176.595 174.600 -0.102 0.000 1.006 112 S CA 1.740 59.883 58.200 -0.095 0.000 0.957 112 S CB -0.072 63.028 63.200 -0.166 0.000 0.773 112 S HN 2.222 nan 8.310 nan 0.000 0.507 113 G N 1.698 110.440 108.800 -0.098 0.000 2.147 113 G HA2 -0.179 3.781 3.960 0.000 0.000 0.128 113 G HA3 -0.179 3.781 3.960 0.000 0.000 0.128 113 G C 0.800 175.619 174.900 -0.135 0.000 1.026 113 G CA 0.249 45.285 45.100 -0.106 0.000 0.693 113 G HN 0.386 nan 8.290 nan 0.000 0.499 114 K N 0.153 120.477 120.400 -0.128 0.000 2.009 114 K HA -0.097 4.223 4.320 0.000 0.000 0.210 114 K C 1.861 178.305 176.600 -0.260 0.000 1.049 114 K CA 2.253 58.451 56.287 -0.147 0.000 0.929 114 K CB -1.318 31.149 32.500 -0.054 0.000 0.714 114 K HN 0.228 nan 8.250 nan 0.000 0.440 115 T N 1.613 116.051 114.554 -0.194 0.000 2.746 115 T HA -0.094 4.256 4.350 0.000 0.000 0.267 115 T C 1.968 176.524 174.700 -0.240 0.000 1.039 115 T CA 2.271 64.248 62.100 -0.206 0.000 1.142 115 T CB -0.504 68.270 68.868 -0.156 0.000 0.866 115 T HN 0.459 nan 8.240 nan 0.000 0.444 116 T N 1.738 116.167 114.554 -0.208 0.000 2.777 116 T HA -0.096 4.254 4.350 0.000 0.000 0.266 116 T C 2.287 176.831 174.700 -0.260 0.000 1.040 116 T CA 1.536 63.518 62.100 -0.196 0.000 1.141 116 T CB -0.679 68.099 68.868 -0.150 0.000 0.868 116 T HN 0.386 nan 8.240 nan 0.000 0.444 117 T N 2.066 116.430 114.554 -0.318 0.000 2.788 117 T HA -0.153 4.197 4.350 0.000 0.000 0.268 117 T C 2.511 176.820 174.700 -0.653 0.000 1.044 117 T CA 1.455 63.311 62.100 -0.407 0.000 1.139 117 T CB -0.790 67.894 68.868 -0.307 0.000 0.867 117 T HN 0.779 nan 8.240 nan 0.000 0.454 118 C N 1.378 120.148 119.300 -0.883 0.000 2.429 118 C HA -0.024 4.436 4.460 0.000 0.000 0.277 118 C C 2.924 177.714 174.990 -0.334 0.000 1.262 118 C CA 0.537 59.029 59.018 -0.876 0.000 1.733 118 C CB -1.471 25.886 27.740 -0.638 0.000 2.010 118 C HN 0.377 nan 8.230 nan 0.000 0.483 119 S N 1.254 116.801 115.700 -0.256 0.000 2.383 119 S HA -0.123 4.347 4.470 0.000 0.000 0.227 119 S C 1.967 176.496 174.600 -0.119 0.000 1.026 119 S CA 1.591 59.711 58.200 -0.134 0.000 0.981 119 S CB -0.310 62.816 63.200 -0.124 0.000 0.818 119 S HN 0.720 nan 8.310 nan 0.000 0.472 120 K N 1.023 121.291 120.400 -0.220 0.000 2.057 120 K HA 0.008 4.328 4.320 0.000 0.000 0.207 120 K C 2.006 178.392 176.600 -0.356 0.000 1.049 120 K CA 1.013 57.148 56.287 -0.254 0.000 0.931 120 K CB -0.377 31.897 32.500 -0.377 0.000 0.714 120 K HN 0.277 nan 8.250 nan 0.000 0.440 121 L N 0.546 121.499 121.223 -0.450 0.000 2.046 121 L HA -0.202 4.138 4.340 0.000 0.000 0.208 121 L C 2.606 179.525 176.870 0.082 0.000 1.077 121 L CA 1.140 55.807 54.840 -0.289 0.000 0.747 121 L CB -0.601 41.450 42.059 -0.013 0.000 0.896 121 L HN 0.228 nan 8.230 nan 0.000 0.432 122 A N -0.682 122.179 122.820 0.069 0.000 1.902 122 A HA -0.297 4.023 4.320 0.000 0.000 0.217 122 A C 2.200 179.876 177.584 0.154 0.000 1.181 122 A CA 1.756 53.867 52.037 0.123 0.000 0.623 122 A CB -0.900 18.147 19.000 0.078 0.000 0.818 122 A HN 0.471 nan 8.150 nan 0.000 0.443 123 Y N -1.318 118.988 120.300 0.009 0.000 2.163 123 Y HA -0.230 4.320 4.550 0.000 0.000 0.288 123 Y C 2.213 178.131 175.900 0.029 0.000 1.136 123 Y CA 1.714 59.824 58.100 0.016 0.000 1.147 123 Y CB -0.802 37.652 38.460 -0.009 0.000 0.987 123 Y HN 0.433 nan 8.280 nan 0.000 0.509 124 Y N -0.515 119.649 120.300 -0.226 0.000 2.128 124 Y HA -0.356 4.194 4.550 0.000 0.000 0.284 124 Y C 1.959 177.651 175.900 -0.347 0.000 1.154 124 Y CA 2.338 60.221 58.100 -0.361 0.000 1.149 124 Y CB -0.963 37.219 38.460 -0.463 0.000 0.976 124 Y HN 0.219 nan 8.280 nan 0.000 0.505 125 Y N -0.163 120.156 120.300 0.033 0.000 2.395 125 Y HA -0.164 4.386 4.550 0.000 0.000 0.293 125 Y C 2.771 178.738 175.900 0.111 0.000 1.123 125 Y CA 1.414 59.581 58.100 0.112 0.000 1.227 125 Y CB -0.423 38.131 38.460 0.156 0.000 1.012 125 Y HN 0.218 nan 8.280 nan 0.000 0.552 126 Q N 0.585 120.457 119.800 0.119 0.000 2.124 126 Q HA -0.270 4.070 4.340 0.000 0.000 0.202 126 Q C 2.230 178.196 176.000 -0.058 0.000 0.977 126 Q CA 1.557 57.398 55.803 0.064 0.000 0.850 126 Q CB -0.028 28.733 28.738 0.039 0.000 0.901 126 Q HN 0.203 nan 8.270 nan 0.000 0.429 127 R N 0.834 121.188 120.500 -0.244 0.000 2.152 127 R HA -0.070 4.270 4.340 0.000 0.000 0.232 127 R C 1.337 177.520 176.300 -0.195 0.000 1.117 127 R CA 1.509 57.440 56.100 -0.282 0.000 0.981 127 R CB 0.044 30.055 30.300 -0.483 0.000 0.870 127 R HN 0.152 nan 8.270 nan 0.000 0.451 128 K N -1.230 119.081 120.400 -0.148 0.000 2.487 128 K HA 0.159 4.479 4.320 0.000 0.000 0.192 128 K C 0.555 177.081 176.600 -0.123 0.000 1.027 128 K CA 0.639 56.876 56.287 -0.084 0.000 1.054 128 K CB 0.395 32.952 32.500 0.095 0.000 0.824 128 K HN 0.437 nan 8.250 nan 0.000 0.510 129 G N 0.624 109.373 108.800 -0.085 0.000 2.159 129 G HA2 -0.202 3.758 3.960 0.000 0.000 0.227 129 G HA3 -0.202 3.758 3.960 0.000 0.000 0.227 129 G C -0.472 174.343 174.900 -0.142 0.000 0.986 129 G CA -0.506 44.507 45.100 -0.145 0.000 0.651 129 G HN 0.205 nan 8.290 nan 0.000 0.523 130 W N 0.320 121.654 121.300 0.056 0.000 2.303 130 W HA 0.689 5.349 4.660 0.000 0.000 0.334 130 W C 0.564 177.113 176.519 0.051 0.000 1.197 130 W CA -0.839 56.544 57.345 0.065 0.000 1.262 130 W CB 0.720 30.237 29.460 0.095 0.000 1.153 130 W HN -0.069 nan 8.180 nan 0.000 0.596 131 K N 1.974 122.585 120.400 0.352 0.000 2.219 131 K HA 0.185 4.505 4.320 0.000 0.000 0.280 131 K C 0.117 176.779 176.600 0.104 0.000 1.104 131 K CA -0.178 56.258 56.287 0.248 0.000 0.925 131 K CB 0.025 32.718 32.500 0.321 0.000 1.261 131 K HN 0.325 nan 8.250 nan 0.000 0.445 132 T N -1.343 113.188 114.554 -0.038 0.000 2.922 132 T HA 0.397 4.747 4.350 0.000 0.000 0.285 132 T C -0.213 174.148 174.700 -0.565 0.000 1.005 132 T CA -0.878 61.105 62.100 -0.195 0.000 1.061 132 T CB 1.260 70.101 68.868 -0.044 0.000 1.007 132 T HN 0.502 nan 8.240 nan 0.000 0.502 133 C N 4.039 123.058 119.300 -0.469 0.000 2.397 133 C HA 0.644 5.104 4.460 0.000 0.000 0.325 133 C C -0.486 174.523 174.990 0.032 0.000 1.201 133 C CA -0.907 57.880 59.018 -0.385 0.000 1.377 133 C CB -0.727 27.003 27.740 -0.017 0.000 2.038 133 C HN 0.982 nan 8.230 nan 0.000 0.457 134 L N 6.603 127.895 121.223 0.116 0.000 2.312 134 L HA 0.597 4.937 4.340 0.000 0.000 0.281 134 L C -0.277 176.774 176.870 0.302 0.000 1.070 134 L CA -0.375 54.583 54.840 0.196 0.000 0.805 134 L CB 1.112 43.274 42.059 0.172 0.000 1.174 134 L HN 0.494 nan 8.230 nan 0.000 0.434 135 I N 2.389 123.131 120.570 0.286 0.000 2.411 135 I HA 0.154 4.324 4.170 0.000 0.000 0.284 135 I C -0.441 175.804 176.117 0.214 0.000 1.012 135 I CA -0.389 61.085 61.300 0.290 0.000 1.119 135 I CB 1.421 39.599 38.000 0.297 0.000 1.261 135 I HN 0.577 nan 8.210 nan 0.000 0.448 136 C N 5.968 125.409 119.300 0.235 0.000 2.252 136 C HA 0.489 4.949 4.460 0.000 0.000 0.342 136 C C 1.329 176.440 174.990 0.201 0.000 1.110 136 C CA -0.331 58.776 59.018 0.149 0.000 1.581 136 C CB -0.747 27.154 27.740 0.268 0.000 2.087 136 C HN 0.848 nan 8.230 nan 0.000 0.500 137 A N 2.305 125.168 122.820 0.071 0.000 2.637 137 A HA 0.315 4.635 4.320 0.000 0.000 0.293 137 A C 0.221 177.806 177.584 0.001 0.000 1.216 137 A CA -0.326 51.791 52.037 0.134 0.000 0.956 137 A CB -0.308 18.770 19.000 0.130 0.000 1.174 137 A HN 0.867 nan 8.150 nan 0.000 0.525 138 D N -0.829 119.381 120.400 -0.316 0.000 2.518 138 D HA 0.286 4.926 4.640 0.000 0.000 0.230 138 D C 0.646 176.690 176.300 -0.428 0.000 1.138 138 D CA -0.108 53.741 54.000 -0.252 0.000 0.964 138 D CB 0.497 41.144 40.800 -0.256 0.000 1.011 138 D HN -0.040 nan 8.370 nan 0.000 0.517 139 T N 0.308 114.814 114.554 -0.079 0.000 2.942 139 T HA -0.045 4.305 4.350 0.000 0.000 0.265 139 T C 1.193 175.869 174.700 -0.040 0.000 1.062 139 T CA 0.549 62.679 62.100 0.050 0.000 1.139 139 T CB -0.366 68.541 68.868 0.065 0.000 0.883 139 T HN 0.301 nan 8.240 nan 0.000 0.468 140 F N 1.669 121.636 119.950 0.027 0.000 2.065 140 F HA -0.070 4.457 4.527 0.000 0.000 0.298 140 F C 1.527 177.327 175.800 -0.001 0.000 1.112 140 F CA 0.934 58.951 58.000 0.028 0.000 1.212 140 F CB -0.344 38.670 39.000 0.024 0.000 0.975 140 F HN -0.162 nan 8.300 nan 0.000 0.476 141 R N 0.758 121.346 120.500 0.147 0.000 2.288 141 R HA 0.275 4.615 4.340 0.000 0.000 0.330 141 R C 1.036 177.334 176.300 -0.003 0.000 1.069 141 R CA 0.219 56.344 56.100 0.040 0.000 0.941 141 R CB 0.765 31.054 30.300 -0.019 0.000 0.998 141 R HN 0.194 nan 8.270 nan 0.000 0.452 142 A N 3.448 126.288 122.820 0.033 0.000 1.930 142 A HA -0.085 4.235 4.320 0.000 0.000 0.217 142 A C 2.070 179.690 177.584 0.061 0.000 1.175 142 A CA 1.592 53.660 52.037 0.052 0.000 0.627 142 A CB -0.442 18.582 19.000 0.040 0.000 0.815 142 A HN 0.842 nan 8.150 nan 0.000 0.443 143 G N -0.909 107.901 108.800 0.016 0.000 2.559 143 G HA2 0.137 4.098 3.960 0.000 0.000 0.216 143 G HA3 0.137 4.098 3.960 0.000 0.000 0.216 143 G C 1.455 176.334 174.900 -0.034 0.000 1.126 143 G CA 1.073 46.173 45.100 -0.000 0.000 0.778 143 G HN 0.721 nan 8.290 nan 0.000 0.543 144 A N 0.441 123.206 122.820 -0.092 0.000 1.969 144 A HA 0.207 4.527 4.320 0.000 0.000 0.218 144 A C 2.015 179.439 177.584 -0.266 0.000 1.169 144 A CA 0.842 52.749 52.037 -0.216 0.000 0.635 144 A CB -0.388 18.419 19.000 -0.323 0.000 0.810 144 A HN 0.317 nan 8.150 nan 0.000 0.445 145 F N 0.417 120.307 119.950 -0.100 0.000 2.206 145 F HA -0.090 4.437 4.527 0.000 0.000 0.298 145 F C 1.968 177.693 175.800 -0.125 0.000 1.090 145 F CA 1.469 59.412 58.000 -0.095 0.000 1.323 145 F CB -0.388 38.554 39.000 -0.097 0.000 1.028 145 F HN 0.197 nan 8.300 nan 0.000 0.492 146 D N -0.281 120.154 120.400 0.058 0.000 2.144 146 D HA -0.215 4.425 4.640 0.000 0.000 0.199 146 D C 2.117 178.346 176.300 -0.118 0.000 0.984 146 D CA 1.110 55.084 54.000 -0.044 0.000 0.834 146 D CB -0.325 40.463 40.800 -0.019 0.000 0.955 146 D HN 0.286 nan 8.370 nan 0.000 0.465 147 Q N -0.021 119.717 119.800 -0.103 0.000 2.030 147 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 147 Q C 2.013 177.920 176.000 -0.156 0.000 0.986 147 Q CA 1.018 56.748 55.803 -0.122 0.000 0.843 147 Q CB -0.147 28.522 28.738 -0.116 0.000 0.904 147 Q HN 0.264 nan 8.270 nan 0.000 0.420 148 L N 0.827 121.953 121.223 -0.161 0.000 2.156 148 L HA -0.125 4.215 4.340 0.000 0.000 0.208 148 L C 1.796 178.502 176.870 -0.274 0.000 1.095 148 L CA 1.719 56.464 54.840 -0.158 0.000 0.770 148 L CB -0.536 41.466 42.059 -0.095 0.000 0.914 148 L HN 0.251 nan 8.230 nan 0.000 0.439 149 K N -0.397 119.712 120.400 -0.485 0.000 2.032 149 K HA -0.211 4.110 4.320 0.000 0.000 0.209 149 K C 2.010 178.201 176.600 -0.682 0.000 1.048 149 K CA 1.715 57.282 56.287 -1.199 0.000 0.927 149 K CB -0.098 31.707 32.500 -1.157 0.000 0.712 149 K HN 0.488 nan 8.250 nan 0.000 0.441 150 Q N 0.494 120.085 119.800 -0.349 0.000 2.079 150 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 150 Q C 1.846 177.764 176.000 -0.137 0.000 0.974 150 Q CA 1.323 57.012 55.803 -0.190 0.000 0.840 150 Q CB -0.135 28.524 28.738 -0.131 0.000 0.898 150 Q HN 0.279 nan 8.270 nan 0.000 0.430 151 N N 0.758 119.373 118.700 -0.141 0.000 2.120 151 N HA -0.126 4.614 4.740 0.000 0.000 0.188 151 N C 1.577 177.053 175.510 -0.056 0.000 1.024 151 N CA 1.335 54.325 53.050 -0.100 0.000 0.852 151 N CB -0.375 38.047 38.487 -0.108 0.000 1.003 151 N HN 0.261 nan 8.380 nan 0.000 0.424 152 A N 0.085 122.876 122.820 -0.048 0.000 1.908 152 A HA -0.172 4.148 4.320 0.000 0.000 0.218 152 A C 2.277 179.925 177.584 0.107 0.000 1.181 152 A CA 2.168 54.250 52.037 0.076 0.000 0.627 152 A CB -1.224 17.911 19.000 0.226 0.000 0.818 152 A HN 0.330 nan 8.150 nan 0.000 0.445 153 T N 0.063 114.660 114.554 0.071 0.000 2.746 153 T HA -0.146 4.205 4.350 0.000 0.000 0.267 153 T C 1.899 176.628 174.700 0.048 0.000 1.039 153 T CA 1.726 63.880 62.100 0.090 0.000 1.142 153 T CB -0.218 68.686 68.868 0.061 0.000 0.866 153 T HN 0.564 nan 8.240 nan 0.000 0.444 154 K N 1.155 121.557 120.400 0.003 0.000 2.057 154 K HA 0.055 4.375 4.320 0.000 0.000 0.207 154 K C 2.390 178.976 176.600 -0.024 0.000 1.049 154 K CA 1.313 57.587 56.287 -0.022 0.000 0.931 154 K CB -0.154 32.312 32.500 -0.057 0.000 0.714 154 K HN 0.293 nan 8.250 nan 0.000 0.440 155 A N 0.419 123.239 122.820 -0.001 0.000 2.238 155 A HA 0.062 4.382 4.320 0.000 0.000 0.210 155 A C 0.137 177.796 177.584 0.125 0.000 1.179 155 A CA -0.082 51.978 52.037 0.040 0.000 0.827 155 A CB 0.156 19.199 19.000 0.072 0.000 0.856 155 A HN 0.205 nan 8.150 nan 0.000 0.488 156 R N -0.933 119.631 120.500 0.107 0.000 3.532 156 R HA -0.165 4.175 4.340 0.000 0.000 0.284 156 R C -0.332 176.044 176.300 0.126 0.000 1.140 156 R CA 1.207 57.380 56.100 0.123 0.000 0.768 156 R CB -2.844 27.526 30.300 0.118 0.000 1.252 156 R HN 0.841 nan 8.270 nan 0.000 0.454 157 I N -1.850 118.795 120.570 0.125 0.000 2.355 157 I HA 0.514 4.684 4.170 0.000 0.000 0.288 157 I C -2.160 174.032 176.117 0.124 0.000 0.999 157 I CA -2.597 58.753 61.300 0.083 0.000 1.163 157 I CB 1.919 39.959 38.000 0.066 0.000 1.316 157 I HN -0.308 nan 8.210 nan 0.000 0.454 158 P HA 0.110 nan 4.420 nan 0.000 0.267 158 P C -0.994 176.416 177.300 0.182 0.000 1.200 158 P CA 0.362 63.537 63.100 0.125 0.000 0.772 158 P CB 0.253 32.076 31.700 0.206 0.000 0.855 159 F N 1.230 121.283 119.950 0.172 0.000 2.507 159 F HA 0.557 5.084 4.527 0.000 0.000 0.328 159 F C -1.324 174.658 175.800 0.302 0.000 1.136 159 F CA -1.463 56.657 58.000 0.201 0.000 0.930 159 F CB 0.966 40.056 39.000 0.149 0.000 1.166 159 F HN 0.150 nan 8.300 nan 0.000 0.436 160 Y N 3.420 123.869 120.300 0.249 0.000 2.335 160 Y HA 0.657 5.207 4.550 0.000 0.000 0.339 160 Y C 0.124 176.198 175.900 0.289 0.000 0.987 160 Y CA -2.051 56.154 58.100 0.175 0.000 1.140 160 Y CB 1.854 40.392 38.460 0.131 0.000 1.173 160 Y HN 0.933 nan 8.280 nan 0.000 0.486 161 G N 3.771 112.714 108.800 0.239 0.000 3.286 161 G HA2 0.206 4.166 3.960 0.000 0.000 0.303 161 G HA3 0.206 4.166 3.960 0.000 0.000 0.303 161 G C -0.128 174.584 174.900 -0.312 0.000 0.974 161 G CA -0.349 44.818 45.100 0.112 0.000 1.635 161 G HN 0.778 nan 8.290 nan 0.000 0.535 162 S N 1.046 116.452 115.700 -0.490 0.000 3.772 162 S HA -0.107 4.363 4.470 0.000 0.000 0.191 162 S C 0.695 175.227 174.600 -0.114 0.000 1.060 162 S CA -0.415 57.462 58.200 -0.538 0.000 1.051 162 S CB -0.272 62.752 63.200 -0.294 0.000 1.578 162 S HN 0.512 nan 8.310 nan 0.000 0.481 163 Y N 3.056 123.151 120.300 -0.343 0.000 2.468 163 Y HA 0.190 4.740 4.550 0.000 0.000 0.268 163 Y C 0.948 176.739 175.900 -0.182 0.000 1.177 163 Y CA -0.800 57.113 58.100 -0.312 0.000 1.265 163 Y CB -0.518 37.601 38.460 -0.568 0.000 1.103 163 Y HN 0.616 nan 8.280 nan 0.000 0.522 164 T N -1.343 113.135 114.554 -0.126 0.000 3.176 164 T HA 0.164 4.515 4.350 0.000 0.000 0.301 164 T C 0.529 175.188 174.700 -0.067 0.000 1.115 164 T CA -0.428 61.584 62.100 -0.146 0.000 1.027 164 T CB 0.253 69.067 68.868 -0.090 0.000 1.063 164 T HN 0.194 nan 8.240 nan 0.000 0.669 165 E N 1.945 122.111 120.200 -0.057 0.000 2.479 165 E HA 0.091 4.441 4.350 0.000 0.000 0.193 165 E C 1.145 177.730 176.600 -0.026 0.000 1.049 165 E CA 0.040 56.437 56.400 -0.005 0.000 0.870 165 E CB 0.063 29.782 29.700 0.033 0.000 0.944 165 E HN 0.604 nan 8.360 nan 0.000 0.492 166 M N 0.585 120.154 119.600 -0.052 0.000 2.279 166 M HA -0.089 4.391 4.480 0.000 0.000 0.264 166 M C -0.070 176.218 176.300 -0.020 0.000 1.062 166 M CA 1.294 56.570 55.300 -0.041 0.000 1.099 166 M CB 0.228 32.795 32.600 -0.053 0.000 1.394 166 M HN -0.191 nan 8.290 nan 0.000 0.426 167 D N -1.468 118.924 120.400 -0.014 0.000 2.763 167 D HA 0.217 4.857 4.640 0.000 0.000 0.235 167 D C -1.983 174.321 176.300 0.006 0.000 1.334 167 D CA -1.151 52.848 54.000 -0.002 0.000 0.950 167 D CB 1.568 42.366 40.800 -0.003 0.000 1.433 167 D HN -0.216 nan 8.370 nan 0.000 0.580 168 P HA -0.313 nan 4.420 nan 0.000 0.237 168 P C 1.574 178.889 177.300 0.026 0.000 1.132 168 P CA 1.031 64.147 63.100 0.026 0.000 0.939 168 P CB 0.257 31.972 31.700 0.024 0.000 0.749 169 V N -1.115 118.810 119.914 0.018 0.000 2.407 169 V HA -0.234 3.886 4.120 0.000 0.000 0.248 169 V C 2.527 178.632 176.094 0.019 0.000 1.055 169 V CA 1.815 64.125 62.300 0.017 0.000 1.049 169 V CB -0.932 30.897 31.823 0.009 0.000 0.662 169 V HN 0.098 nan 8.190 nan 0.000 0.455 170 I N -0.526 120.053 120.570 0.015 0.000 2.252 170 I HA -0.217 3.953 4.170 0.000 0.000 0.245 170 I C 2.285 178.428 176.117 0.044 0.000 1.102 170 I CA 1.600 62.911 61.300 0.019 0.000 1.385 170 I CB -0.311 37.690 38.000 0.002 0.000 1.064 170 I HN 0.223 nan 8.210 nan 0.000 0.414 171 I N 1.000 121.594 120.570 0.040 0.000 2.163 171 I HA -0.328 3.842 4.170 0.000 0.000 0.243 171 I C 2.861 179.031 176.117 0.089 0.000 1.085 171 I CA 1.501 62.836 61.300 0.059 0.000 1.347 171 I CB -0.561 37.463 38.000 0.041 0.000 1.044 171 I HN 0.203 nan 8.210 nan 0.000 0.408 172 A N 0.250 123.107 122.820 0.061 0.000 1.908 172 A HA -0.224 4.096 4.320 0.000 0.000 0.218 172 A C 2.499 180.100 177.584 0.029 0.000 1.181 172 A CA 2.359 54.428 52.037 0.053 0.000 0.627 172 A CB -0.813 18.214 19.000 0.044 0.000 0.818 172 A HN 0.410 nan 8.150 nan 0.000 0.445 173 S N -0.239 115.477 115.700 0.026 0.000 2.353 173 S HA -0.153 4.317 4.470 0.000 0.000 0.222 173 S C 1.926 176.514 174.600 -0.020 0.000 1.035 173 S CA 1.473 59.675 58.200 0.004 0.000 1.025 173 S CB -0.320 62.885 63.200 0.008 0.000 0.902 173 S HN 0.606 nan 8.310 nan 0.000 0.440 174 E N 0.745 120.969 120.200 0.039 0.000 2.152 174 E HA -0.016 4.334 4.350 0.000 0.000 0.192 174 E C 2.327 178.809 176.600 -0.198 0.000 0.983 174 E CA 0.889 57.282 56.400 -0.012 0.000 0.818 174 E CB -0.751 29.110 29.700 0.267 0.000 0.758 174 E HN 0.545 nan 8.360 nan 0.000 0.467 175 G N 1.256 110.012 108.800 -0.074 0.000 2.418 175 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 175 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 175 G C 1.774 176.207 174.900 -0.778 0.000 1.158 175 G CA 0.871 45.679 45.100 -0.486 0.000 0.771 175 G HN 0.265 nan 8.290 nan 0.000 0.545 176 V N 0.553 120.290 119.914 -0.295 0.000 2.295 176 V HA -0.168 3.952 4.120 0.000 0.000 0.246 176 V C 2.644 178.646 176.094 -0.152 0.000 1.049 176 V CA 2.835 65.056 62.300 -0.132 0.000 1.024 176 V CB -0.374 31.432 31.823 -0.028 0.000 0.648 176 V HN 0.569 nan 8.190 nan 0.000 0.447 177 E N -0.368 119.720 120.200 -0.187 0.000 2.051 177 E HA -0.275 4.075 4.350 0.000 0.000 0.192 177 E C 2.306 178.767 176.600 -0.232 0.000 0.991 177 E CA 1.627 57.922 56.400 -0.174 0.000 0.799 177 E CB -0.210 29.389 29.700 -0.168 0.000 0.748 177 E HN 0.574 nan 8.360 nan 0.000 0.449 178 K N 0.125 120.310 120.400 -0.359 0.000 2.057 178 K HA -0.122 4.198 4.320 0.000 0.000 0.206 178 K C 1.875 178.294 176.600 -0.301 0.000 1.050 178 K CA 0.975 57.042 56.287 -0.367 0.000 0.935 178 K CB -0.009 32.229 32.500 -0.437 0.000 0.715 178 K HN -0.003 nan 8.250 nan 0.000 0.439 179 F N 1.840 121.709 119.950 -0.135 0.000 2.171 179 F HA -0.122 4.405 4.527 0.000 0.000 0.300 179 F C 2.350 178.042 175.800 -0.181 0.000 1.090 179 F CA 0.959 58.905 58.000 -0.091 0.000 1.293 179 F CB -0.660 38.408 39.000 0.115 0.000 1.013 179 F HN 0.021 nan 8.300 nan 0.000 0.486 180 K N 0.590 121.001 120.400 0.019 0.000 2.007 180 K HA -0.117 4.203 4.320 0.000 0.000 0.206 180 K C 1.693 178.233 176.600 -0.099 0.000 1.047 180 K CA 1.028 57.302 56.287 -0.021 0.000 0.937 180 K CB -0.411 32.078 32.500 -0.019 0.000 0.718 180 K HN 0.156 nan 8.250 nan 0.000 0.438 181 N N 1.277 119.883 118.700 -0.157 0.000 2.309 181 N HA -0.109 4.631 4.740 0.000 0.000 0.182 181 N C 0.816 176.190 175.510 -0.226 0.000 1.018 181 N CA 0.891 53.840 53.050 -0.168 0.000 0.876 181 N CB 0.112 38.497 38.487 -0.170 0.000 0.972 181 N HN 0.251 nan 8.380 nan 0.000 0.434 182 E N 0.301 120.250 120.200 -0.419 0.000 2.548 182 E HA 0.153 4.503 4.350 0.000 0.000 0.206 182 E C -0.497 175.858 176.600 -0.409 0.000 1.005 182 E CA -0.300 55.771 56.400 -0.550 0.000 0.951 182 E CB -0.358 28.677 29.700 -1.108 0.000 1.035 182 E HN 0.265 nan 8.360 nan 0.000 0.470 183 N N 1.294 119.873 118.700 -0.202 0.000 2.725 183 N HA -0.183 4.557 4.740 0.000 0.000 0.251 183 N C -0.822 174.800 175.510 0.186 0.000 1.031 183 N CA 0.198 53.252 53.050 0.005 0.000 0.720 183 N CB -0.812 37.700 38.487 0.041 0.000 0.930 183 N HN 0.024 nan 8.380 nan 0.000 0.543 184 F N 0.849 120.863 119.950 0.107 0.000 2.443 184 F HA 0.150 4.677 4.527 0.000 0.000 0.353 184 F C 1.702 177.474 175.800 -0.046 0.000 1.101 184 F CA -0.555 57.465 58.000 0.033 0.000 1.226 184 F CB 0.646 39.653 39.000 0.013 0.000 1.140 184 F HN 0.041 nan 8.300 nan 0.000 0.557 185 E N 2.241 122.539 120.200 0.164 0.000 2.676 185 E HA 0.314 4.664 4.350 0.000 0.000 0.222 185 E C -0.535 176.025 176.600 -0.066 0.000 0.968 185 E CA 0.239 56.701 56.400 0.104 0.000 1.090 185 E CB 0.839 30.726 29.700 0.312 0.000 1.066 185 E HN 0.384 nan 8.360 nan 0.000 0.496 186 I N 1.982 122.443 120.570 -0.182 0.000 2.563 186 I HA 0.270 4.440 4.170 0.000 0.000 0.281 186 I C -1.147 174.783 176.117 -0.312 0.000 1.110 186 I CA -0.661 60.464 61.300 -0.293 0.000 1.073 186 I CB 1.434 39.240 38.000 -0.325 0.000 1.215 186 I HN -0.093 nan 8.210 nan 0.000 0.460 187 I N 6.898 127.253 120.570 -0.359 0.000 2.315 187 I HA 0.370 4.540 4.170 0.000 0.000 0.291 187 I C -0.111 175.981 176.117 -0.041 0.000 1.006 187 I CA -0.029 61.105 61.300 -0.276 0.000 1.265 187 I CB 1.066 38.839 38.000 -0.378 0.000 1.387 187 I HN 0.338 nan 8.210 nan 0.000 0.475 188 I N 7.059 127.681 120.570 0.086 0.000 2.354 188 I HA 0.283 4.453 4.170 0.000 0.000 0.286 188 I C -0.625 175.661 176.117 0.282 0.000 1.007 188 I CA -0.723 60.701 61.300 0.207 0.000 1.167 188 I CB 1.180 39.377 38.000 0.329 0.000 1.320 188 I HN 0.169 nan 8.210 nan 0.000 0.458 189 V N 5.420 125.477 119.914 0.239 0.000 2.334 189 V HA 0.179 4.299 4.120 0.000 0.000 0.267 189 V C -0.132 176.148 176.094 0.311 0.000 1.040 189 V CA -0.612 61.831 62.300 0.237 0.000 0.866 189 V CB 0.814 32.734 31.823 0.161 0.000 1.019 189 V HN 0.566 nan 8.190 nan 0.000 0.468 190 D N 3.979 124.537 120.400 0.263 0.000 2.339 190 D HA 0.289 4.929 4.640 0.000 0.000 0.241 190 D C 0.651 177.017 176.300 0.111 0.000 1.183 190 D CA 0.133 54.246 54.000 0.188 0.000 0.859 190 D CB 1.663 42.488 40.800 0.042 0.000 1.067 190 D HN 0.668 nan 8.370 nan 0.000 0.484 191 T N -1.255 113.378 114.554 0.132 0.000 2.934 191 T HA 0.453 4.803 4.350 0.000 0.000 0.283 191 T C 0.626 175.379 174.700 0.088 0.000 1.005 191 T CA -0.940 61.229 62.100 0.115 0.000 1.041 191 T CB 1.339 70.298 68.868 0.151 0.000 1.042 191 T HN 0.209 nan 8.240 nan 0.000 0.505 192 S N 0.785 116.554 115.700 0.115 0.000 2.579 192 S HA 0.477 4.947 4.470 0.000 0.000 0.275 192 S C 0.819 175.478 174.600 0.099 0.000 1.345 192 S CA -0.585 57.678 58.200 0.106 0.000 1.031 192 S CB -0.102 63.242 63.200 0.240 0.000 0.892 192 S HN 1.220 nan 8.310 nan 0.000 0.529 193 G N 1.003 109.835 108.800 0.054 0.000 2.483 193 G HA2 0.511 4.471 3.960 0.000 0.000 0.248 193 G HA3 0.511 4.471 3.960 0.000 0.000 0.248 193 G C -0.250 174.694 174.900 0.073 0.000 1.248 193 G CA -0.888 44.254 45.100 0.070 0.000 0.838 193 G HN 1.037 nan 8.290 nan 0.000 0.566 194 R N 0.111 120.712 120.500 0.168 0.000 2.680 194 R HA 0.388 4.728 4.340 0.000 0.000 0.269 194 R C -0.781 175.655 176.300 0.227 0.000 1.026 194 R CA -1.023 55.164 56.100 0.146 0.000 0.889 194 R CB 0.675 31.060 30.300 0.142 0.000 1.241 194 R HN 0.560 nan 8.270 nan 0.000 0.463 195 H N 3.104 122.211 119.070 0.062 0.000 2.732 195 H HA 0.078 4.634 4.556 0.000 0.000 0.351 195 H C 0.431 175.736 175.328 -0.037 0.000 1.090 195 H CA 0.101 56.176 56.048 0.045 0.000 1.431 195 H CB 1.484 31.241 29.762 -0.007 0.000 1.447 195 H HN 0.792 nan 8.280 nan 0.000 0.582 196 K N 3.573 123.736 120.400 -0.395 0.000 2.442 196 K HA -0.150 4.170 4.320 0.000 0.000 0.198 196 K C 0.997 177.406 176.600 -0.317 0.000 1.044 196 K CA 1.172 57.149 56.287 -0.516 0.000 0.948 196 K CB 0.193 32.398 32.500 -0.492 0.000 0.762 196 K HN 0.554 nan 8.250 nan 0.000 0.472 197 Q N 1.252 121.166 119.800 0.190 0.000 2.217 197 Q HA 0.050 4.390 4.340 0.000 0.000 0.217 197 Q C -0.604 175.436 176.000 0.067 0.000 0.844 197 Q CA 0.055 55.934 55.803 0.127 0.000 0.957 197 Q CB 0.538 29.394 28.738 0.197 0.000 1.127 197 Q HN 0.273 nan 8.270 nan 0.000 0.503 198 E N 2.385 122.634 120.200 0.082 0.000 1.932 198 E HA -0.005 4.345 4.350 0.000 0.000 0.275 198 E C 0.598 177.233 176.600 0.058 0.000 1.159 198 E CA 0.033 56.455 56.400 0.036 0.000 0.905 198 E CB 0.441 30.167 29.700 0.044 0.000 1.059 198 E HN 0.203 nan 8.360 nan 0.000 0.400 199 D N 2.170 122.594 120.400 0.039 0.000 2.116 199 D HA -0.235 4.406 4.640 0.000 0.000 0.193 199 D C 1.143 177.505 176.300 0.103 0.000 0.998 199 D CA 1.673 55.717 54.000 0.072 0.000 0.836 199 D CB -0.415 40.408 40.800 0.039 0.000 0.951 199 D HN 0.327 nan 8.370 nan 0.000 0.449 200 S N -0.068 115.678 115.700 0.077 0.000 2.359 200 S HA -0.080 4.390 4.470 0.000 0.000 0.224 200 S C 1.929 176.594 174.600 0.109 0.000 1.035 200 S CA 0.899 59.151 58.200 0.086 0.000 1.018 200 S CB -0.330 62.919 63.200 0.082 0.000 0.876 200 S HN 0.150 nan 8.310 nan 0.000 0.448 201 L N 0.118 121.406 121.223 0.108 0.000 2.156 201 L HA 0.116 4.456 4.340 0.000 0.000 0.208 201 L C 1.913 178.863 176.870 0.133 0.000 1.095 201 L CA 1.231 56.145 54.840 0.123 0.000 0.770 201 L CB -0.837 41.242 42.059 0.034 0.000 0.914 201 L HN 0.264 nan 8.230 nan 0.000 0.439 202 F N 0.545 120.490 119.950 -0.007 0.000 2.259 202 F HA -0.144 4.383 4.527 0.000 0.000 0.298 202 F C 2.435 178.232 175.800 -0.005 0.000 1.088 202 F CA 1.234 59.207 58.000 -0.044 0.000 1.358 202 F CB -0.019 38.908 39.000 -0.120 0.000 1.040 202 F HN 0.136 nan 8.300 nan 0.000 0.505 203 E N 0.419 120.612 120.200 -0.013 0.000 2.107 203 E HA -0.185 4.165 4.350 0.000 0.000 0.191 203 E C 2.188 178.743 176.600 -0.074 0.000 0.982 203 E CA 1.216 57.580 56.400 -0.061 0.000 0.809 203 E CB -0.447 29.275 29.700 0.037 0.000 0.756 203 E HN 0.379 nan 8.360 nan 0.000 0.459 204 E N 0.127 120.323 120.200 -0.006 0.000 2.106 204 E HA -0.181 4.169 4.350 0.000 0.000 0.192 204 E C 1.979 178.574 176.600 -0.008 0.000 0.984 204 E CA 1.056 57.473 56.400 0.029 0.000 0.806 204 E CB -0.204 29.567 29.700 0.118 0.000 0.750 204 E HN 0.408 nan 8.360 nan 0.000 0.458 205 M N 0.288 119.853 119.600 -0.058 0.000 2.175 205 M HA -0.130 4.350 4.480 0.000 0.000 0.264 205 M C 2.391 178.606 176.300 -0.141 0.000 1.063 205 M CA 0.988 56.248 55.300 -0.067 0.000 1.119 205 M CB -0.024 32.538 32.600 -0.063 0.000 1.377 205 M HN 0.172 nan 8.290 nan 0.000 0.415 206 L N 0.118 121.174 121.223 -0.278 0.000 2.056 206 L HA -0.260 4.080 4.340 0.000 0.000 0.207 206 L C 2.291 179.101 176.870 -0.100 0.000 1.078 206 L CA 1.538 56.245 54.840 -0.223 0.000 0.749 206 L CB -0.297 41.596 42.059 -0.277 0.000 0.901 206 L HN 0.429 nan 8.230 nan 0.000 0.433 207 Q N -1.194 118.562 119.800 -0.072 0.000 2.050 207 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 207 Q C 2.258 178.251 176.000 -0.011 0.000 0.980 207 Q CA 1.811 57.597 55.803 -0.029 0.000 0.840 207 Q CB -0.375 28.356 28.738 -0.012 0.000 0.898 207 Q HN 0.493 nan 8.270 nan 0.000 0.424 208 V N 0.782 120.694 119.914 -0.004 0.000 2.407 208 V HA -0.260 3.860 4.120 0.000 0.000 0.248 208 V C 2.053 178.154 176.094 0.013 0.000 1.055 208 V CA 2.024 64.335 62.300 0.018 0.000 1.049 208 V CB -0.566 31.280 31.823 0.038 0.000 0.662 208 V HN 0.419 nan 8.190 nan 0.000 0.455 209 A N 1.174 123.990 122.820 -0.007 0.000 1.898 209 A HA -0.254 4.066 4.320 0.000 0.000 0.216 209 A C 1.903 179.482 177.584 -0.008 0.000 1.181 209 A CA 2.160 54.191 52.037 -0.010 0.000 0.620 209 A CB -1.061 17.923 19.000 -0.026 0.000 0.819 209 A HN 0.913 nan 8.150 nan 0.000 0.442 210 N N 0.088 118.780 118.700 -0.012 0.000 2.244 210 N HA 0.049 4.789 4.740 0.000 0.000 0.183 210 N C 1.550 177.062 175.510 0.003 0.000 1.016 210 N CA 1.617 54.662 53.050 -0.007 0.000 0.866 210 N CB -0.280 38.201 38.487 -0.010 0.000 0.980 210 N HN 0.334 nan 8.380 nan 0.000 0.430 211 A N 0.819 123.644 122.820 0.009 0.000 1.874 211 A HA 0.157 4.477 4.320 0.000 0.000 0.214 211 A C 2.181 179.782 177.584 0.027 0.000 1.189 211 A CA 0.742 52.790 52.037 0.018 0.000 0.615 211 A CB -0.529 18.483 19.000 0.021 0.000 0.830 211 A HN 0.336 nan 8.150 nan 0.000 0.443 212 I N -1.557 119.033 120.570 0.033 0.000 2.876 212 I HA -0.085 4.085 4.170 0.000 0.000 0.264 212 I C 0.868 177.007 176.117 0.036 0.000 1.204 212 I CA 0.569 61.898 61.300 0.049 0.000 1.485 212 I CB 0.146 38.185 38.000 0.065 0.000 1.103 212 I HN 0.402 nan 8.210 nan 0.000 0.446 213 Q N 1.243 121.052 119.800 0.015 0.000 2.454 213 Q HA -0.123 4.217 4.340 0.000 0.000 0.307 213 Q C -2.354 173.637 176.000 -0.014 0.000 1.430 213 Q CA 0.044 55.847 55.803 0.001 0.000 0.786 213 Q CB -1.055 27.688 28.738 0.009 0.000 1.115 213 Q HN 0.252 nan 8.270 nan 0.000 0.389 214 P HA 0.263 nan 4.420 nan 0.000 0.281 214 P C 0.292 177.528 177.300 -0.107 0.000 1.249 214 P CA -0.205 62.854 63.100 -0.068 0.000 0.810 214 P CB 0.665 32.323 31.700 -0.070 0.000 1.008 215 D N 0.360 120.664 120.400 -0.159 0.000 2.269 215 D HA 0.019 4.660 4.640 0.000 0.000 0.220 215 D C -0.057 176.082 176.300 -0.268 0.000 0.962 215 D CA 1.271 55.156 54.000 -0.192 0.000 0.884 215 D CB 0.038 40.711 40.800 -0.210 0.000 1.023 215 D HN 0.448 nan 8.370 nan 0.000 0.484 216 N N -0.241 118.239 118.700 -0.367 0.000 2.314 216 N HA 0.466 5.206 4.740 0.000 0.000 0.304 216 N C -1.116 174.160 175.510 -0.390 0.000 1.073 216 N CA -0.440 52.298 53.050 -0.520 0.000 0.822 216 N CB 2.350 40.216 38.487 -1.035 0.000 1.280 216 N HN -0.165 nan 8.380 nan 0.000 0.489 217 I N 1.802 122.204 120.570 -0.279 0.000 2.448 217 I HA 0.256 4.426 4.170 0.000 0.000 0.281 217 I C -0.952 175.122 176.117 -0.070 0.000 1.027 217 I CA -0.603 60.611 61.300 -0.143 0.000 1.111 217 I CB 1.601 39.572 38.000 -0.048 0.000 1.236 217 I HN 0.205 nan 8.210 nan 0.000 0.452 218 V N 6.429 126.321 119.914 -0.036 0.000 2.370 218 V HA 0.228 4.348 4.120 0.000 0.000 0.279 218 V C -0.621 175.574 176.094 0.168 0.000 1.029 218 V CA -0.818 61.572 62.300 0.150 0.000 0.870 218 V CB 1.141 33.166 31.823 0.336 0.000 0.984 218 V HN 0.493 nan 8.190 nan 0.000 0.451 219 Y N 5.736 126.062 120.300 0.045 0.000 2.404 219 Y HA 0.463 5.013 4.550 0.000 0.000 0.344 219 Y C -0.043 175.862 175.900 0.008 0.000 0.995 219 Y CA -0.573 57.489 58.100 -0.062 0.000 1.201 219 Y CB 1.133 39.536 38.460 -0.094 0.000 1.151 219 Y HN 0.398 nan 8.280 nan 0.000 0.517 220 V N 9.333 128.897 119.914 -0.583 0.000 2.368 220 V HA 0.208 4.328 4.120 0.000 0.000 0.266 220 V C 0.145 175.739 176.094 -0.833 0.000 1.045 220 V CA -0.389 61.641 62.300 -0.450 0.000 0.899 220 V CB 0.127 31.834 31.823 -0.193 0.000 1.006 220 V HN 0.837 nan 8.190 nan 0.000 0.470 221 M N 2.219 121.472 119.600 -0.578 0.000 2.243 221 M HA 0.656 5.136 4.480 0.000 0.000 0.324 221 M C -0.724 175.490 176.300 -0.142 0.000 1.031 221 M CA -0.643 54.415 55.300 -0.402 0.000 0.949 221 M CB 1.653 34.177 32.600 -0.126 0.000 1.615 221 M HN 0.396 nan 8.290 nan 0.000 0.430 222 D N 3.076 123.419 120.400 -0.096 0.000 2.390 222 D HA 0.313 4.953 4.640 0.000 0.000 0.249 222 D C 1.048 177.343 176.300 -0.008 0.000 1.144 222 D CA 0.349 54.323 54.000 -0.043 0.000 0.880 222 D CB 1.819 42.598 40.800 -0.034 0.000 1.182 222 D HN 0.794 nan 8.370 nan 0.000 0.451 223 A N 2.967 125.788 122.820 0.001 0.000 2.076 223 A HA -0.158 4.162 4.320 0.000 0.000 0.220 223 A C 1.953 179.527 177.584 -0.017 0.000 1.160 223 A CA 1.842 53.883 52.037 0.006 0.000 0.653 223 A CB -0.480 18.521 19.000 0.002 0.000 0.801 223 A HN 0.589 nan 8.150 nan 0.000 0.455 224 S N -0.648 115.043 115.700 -0.015 0.000 2.603 224 S HA 0.180 4.650 4.470 0.000 0.000 0.220 224 S C 0.641 175.241 174.600 -0.000 0.000 0.967 224 S CA -0.438 57.754 58.200 -0.014 0.000 0.920 224 S CB -0.446 62.748 63.200 -0.010 0.000 0.773 224 S HN 0.258 nan 8.310 nan 0.000 0.529 225 I N 3.192 123.769 120.570 0.011 0.000 2.845 225 I HA 0.152 4.322 4.170 0.000 0.000 0.296 225 I C 1.488 177.619 176.117 0.023 0.000 1.216 225 I CA 0.304 61.621 61.300 0.027 0.000 1.438 225 I CB -0.704 37.328 38.000 0.053 0.000 1.342 225 I HN 0.319 nan 8.210 nan 0.000 0.577 226 G N 4.767 113.581 108.800 0.024 0.000 2.714 226 G HA2 0.107 4.067 3.960 0.000 0.000 0.197 226 G HA3 0.107 4.067 3.960 0.000 0.000 0.197 226 G C 0.691 175.603 174.900 0.021 0.000 1.449 226 G CA -0.125 44.986 45.100 0.018 0.000 1.065 226 G HN 0.578 nan 8.290 nan 0.000 0.575 227 Q N -0.415 119.395 119.800 0.016 0.000 2.248 227 Q HA -0.134 4.206 4.340 0.000 0.000 0.208 227 Q C 2.597 178.606 176.000 0.015 0.000 0.984 227 Q CA 1.467 57.279 55.803 0.014 0.000 0.875 227 Q CB -0.656 28.088 28.738 0.010 0.000 0.910 227 Q HN 0.486 nan 8.270 nan 0.000 0.433 228 A N -0.205 122.626 122.820 0.019 0.000 2.239 228 A HA -0.069 4.251 4.320 0.000 0.000 0.209 228 A C 2.317 179.912 177.584 0.019 0.000 1.171 228 A CA 0.397 52.443 52.037 0.016 0.000 0.768 228 A CB -0.647 18.364 19.000 0.018 0.000 0.790 228 A HN 0.427 nan 8.150 nan 0.000 0.478 229 C N -0.762 118.559 119.300 0.034 0.000 2.413 229 C HA -0.123 4.337 4.460 0.000 0.000 0.277 229 C C 2.590 177.593 174.990 0.020 0.000 1.265 229 C CA 1.436 60.486 59.018 0.055 0.000 1.752 229 C CB -0.946 26.836 27.740 0.070 0.000 1.998 229 C HN 0.803 nan 8.230 nan 0.000 0.489 230 E N 1.498 121.702 120.200 0.008 0.000 2.038 230 E HA -0.167 4.183 4.350 0.000 0.000 0.195 230 E C 2.165 178.748 176.600 -0.028 0.000 1.000 230 E CA 2.034 58.430 56.400 -0.007 0.000 0.803 230 E CB -0.407 29.291 29.700 -0.004 0.000 0.750 230 E HN 0.523 nan 8.360 nan 0.000 0.448 231 A N 0.109 122.912 122.820 -0.029 0.000 1.969 231 A HA -0.197 4.123 4.320 0.000 0.000 0.218 231 A C 2.129 179.668 177.584 -0.074 0.000 1.169 231 A CA 1.601 53.608 52.037 -0.050 0.000 0.635 231 A CB -0.503 18.472 19.000 -0.041 0.000 0.810 231 A HN 0.367 nan 8.150 nan 0.000 0.445 232 Q N -0.546 119.219 119.800 -0.058 0.000 2.046 232 Q HA -0.090 4.250 4.340 0.000 0.000 0.200 232 Q C 2.481 178.419 176.000 -0.103 0.000 0.975 232 Q CA 1.392 57.172 55.803 -0.039 0.000 0.836 232 Q CB -0.388 28.370 28.738 0.034 0.000 0.896 232 Q HN 0.663 nan 8.270 nan 0.000 0.428 233 A N 1.352 124.047 122.820 -0.208 0.000 1.902 233 A HA -0.240 4.080 4.320 0.000 0.000 0.217 233 A C 2.040 179.548 177.584 -0.127 0.000 1.181 233 A CA 1.820 53.681 52.037 -0.294 0.000 0.623 233 A CB -0.395 18.505 19.000 -0.166 0.000 0.818 233 A HN 0.143 nan 8.150 nan 0.000 0.443 234 K N -0.036 120.315 120.400 -0.083 0.000 2.057 234 K HA -0.021 4.299 4.320 0.000 0.000 0.207 234 K C 2.015 178.571 176.600 -0.074 0.000 1.049 234 K CA 1.571 57.822 56.287 -0.060 0.000 0.931 234 K CB -0.450 32.018 32.500 -0.054 0.000 0.714 234 K HN 0.350 nan 8.250 nan 0.000 0.440 235 A N -0.394 122.349 122.820 -0.129 0.000 1.898 235 A HA -0.061 4.259 4.320 0.000 0.000 0.216 235 A C 2.083 179.518 177.584 -0.248 0.000 1.181 235 A CA 1.315 53.199 52.037 -0.255 0.000 0.620 235 A CB -0.820 17.947 19.000 -0.388 0.000 0.819 235 A HN 0.349 nan 8.150 nan 0.000 0.442 236 F N 0.102 119.962 119.950 -0.150 0.000 2.186 236 F HA -0.108 4.419 4.527 0.000 0.000 0.299 236 F C 2.424 178.265 175.800 0.067 0.000 1.090 236 F CA 1.764 59.774 58.000 0.016 0.000 1.307 236 F CB 0.061 39.004 39.000 -0.094 0.000 1.019 236 F HN 0.087 nan 8.300 nan 0.000 0.489 237 K N 0.476 120.963 120.400 0.145 0.000 2.057 237 K HA -0.166 4.154 4.320 0.000 0.000 0.206 237 K C 1.337 177.986 176.600 0.081 0.000 1.050 237 K CA 1.692 58.034 56.287 0.092 0.000 0.935 237 K CB -0.399 32.121 32.500 0.034 0.000 0.715 237 K HN 0.178 nan 8.250 nan 0.000 0.439 238 D N 0.411 120.843 120.400 0.054 0.000 2.234 238 D HA -0.053 4.588 4.640 0.000 0.000 0.205 238 D C 1.536 177.899 176.300 0.106 0.000 0.962 238 D CA 1.001 55.028 54.000 0.046 0.000 0.855 238 D CB 0.234 41.032 40.800 -0.003 0.000 0.951 238 D HN 0.291 nan 8.370 nan 0.000 0.500 239 K N -0.390 120.144 120.400 0.223 0.000 2.334 239 K HA 0.159 4.479 4.320 0.000 0.000 0.195 239 K C 0.645 177.322 176.600 0.128 0.000 1.045 239 K CA 0.251 56.763 56.287 0.375 0.000 1.004 239 K CB 1.481 34.436 32.500 0.758 0.000 0.837 239 K HN -0.108 nan 8.250 nan 0.000 0.510 240 V N 2.676 122.684 119.914 0.157 0.000 2.778 240 V HA 0.029 4.149 4.120 0.000 0.000 0.356 240 V C -1.047 175.085 176.094 0.064 0.000 1.283 240 V CA -0.615 61.719 62.300 0.056 0.000 1.247 240 V CB -0.232 31.627 31.823 0.060 0.000 1.408 240 V HN 0.247 nan 8.190 nan 0.000 0.620 241 D N 1.590 122.022 120.400 0.054 0.000 5.509 241 D HA -0.147 4.493 4.640 0.000 0.000 0.121 241 D C -0.132 176.194 176.300 0.044 0.000 0.991 241 D CA 1.051 55.076 54.000 0.041 0.000 0.640 241 D CB 0.690 41.495 40.800 0.008 0.000 1.258 241 D HN 0.241 nan 8.370 nan 0.000 0.696 242 V N 1.172 121.120 119.914 0.057 0.000 2.531 242 V HA 0.666 4.786 4.120 0.000 0.000 0.301 242 V C 0.079 176.192 176.094 0.032 0.000 1.034 242 V CA -0.712 61.624 62.300 0.061 0.000 0.865 242 V CB 1.975 33.874 31.823 0.127 0.000 0.995 242 V HN 0.714 nan 8.190 nan 0.000 0.424 243 A N 3.534 126.349 122.820 -0.008 0.000 2.569 243 A HA 0.885 5.205 4.320 0.000 0.000 0.282 243 A C -0.339 177.241 177.584 -0.007 0.000 1.165 243 A CA -0.262 51.767 52.037 -0.013 0.000 0.747 243 A CB 1.103 20.060 19.000 -0.071 0.000 1.215 243 A HN 1.067 nan 8.150 nan 0.000 0.431 244 S N -1.133 114.625 115.700 0.096 0.000 2.514 244 S HA 0.256 4.726 4.470 0.000 0.000 0.296 244 S C -0.623 174.144 174.600 0.278 0.000 0.634 244 S CA -0.353 57.980 58.200 0.222 0.000 1.427 244 S CB -0.518 62.959 63.200 0.462 0.000 1.730 244 S HN 2.182 nan 8.310 nan 0.000 0.457 245 V N -0.968 119.117 119.914 0.284 0.000 3.040 245 V HA 0.918 5.038 4.120 0.000 0.000 0.312 245 V C -0.875 175.352 176.094 0.223 0.000 1.115 245 V CA -0.920 61.529 62.300 0.249 0.000 0.998 245 V CB 1.931 33.883 31.823 0.216 0.000 1.042 245 V HN 0.888 nan 8.190 nan 0.000 0.433 246 I N 2.269 122.940 120.570 0.169 0.000 2.436 246 I HA 0.507 4.677 4.170 0.000 0.000 0.289 246 I C -0.729 175.425 176.117 0.061 0.000 1.010 246 I CA -0.951 60.446 61.300 0.162 0.000 1.098 246 I CB 2.089 40.219 38.000 0.216 0.000 1.266 246 I HN 0.564 nan 8.210 nan 0.000 0.434 247 V N 7.022 126.973 119.914 0.062 0.000 2.333 247 V HA 0.443 4.563 4.120 0.000 0.000 0.274 247 V C 0.346 176.464 176.094 0.040 0.000 1.028 247 V CA -0.001 62.327 62.300 0.047 0.000 0.851 247 V CB 1.470 33.342 31.823 0.082 0.000 1.000 247 V HN 0.898 nan 8.190 nan 0.000 0.456 248 T N 2.947 117.506 114.554 0.009 0.000 2.912 248 T HA 0.421 4.771 4.350 0.000 0.000 0.280 248 T C 0.424 175.130 174.700 0.009 0.000 0.989 248 T CA -0.493 61.609 62.100 0.003 0.000 0.995 248 T CB 1.227 70.076 68.868 -0.032 0.000 1.077 248 T HN 0.778 nan 8.240 nan 0.000 0.531 249 K N 0.247 120.648 120.400 0.001 0.000 3.071 249 K HA -0.123 4.197 4.320 0.000 0.000 0.265 249 K C 0.416 177.023 176.600 0.012 0.000 1.060 249 K CA 0.186 56.472 56.287 -0.002 0.000 0.767 249 K CB -1.312 31.180 32.500 -0.014 0.000 1.241 249 K HN 0.735 nan 8.250 nan 0.000 0.486 250 L N 0.765 122.014 121.223 0.043 0.000 2.552 250 L HA -0.038 4.302 4.340 0.000 0.000 0.227 250 L C 1.385 178.276 176.870 0.034 0.000 1.146 250 L CA 1.876 56.769 54.840 0.089 0.000 0.858 250 L CB -0.394 41.809 42.059 0.240 0.000 0.969 250 L HN 0.228 nan 8.230 nan 0.000 0.451 251 D N 0.012 120.416 120.400 0.007 0.000 2.363 251 D HA 0.007 4.647 4.640 0.000 0.000 0.226 251 D C 1.127 177.429 176.300 0.003 0.000 1.020 251 D CA 0.409 54.405 54.000 -0.007 0.000 0.892 251 D CB 0.215 41.007 40.800 -0.014 0.000 0.900 251 D HN 0.360 nan 8.370 nan 0.000 0.531 252 G N -1.461 107.338 108.800 -0.003 0.000 2.510 252 G HA2 0.012 3.972 3.960 0.000 0.000 0.280 252 G HA3 0.012 3.972 3.960 0.000 0.000 0.280 252 G C 0.342 175.249 174.900 0.013 0.000 1.386 252 G CA -0.331 44.776 45.100 0.012 0.000 1.047 252 G HN 0.345 nan 8.290 nan 0.000 0.527 253 H N -0.263 118.769 119.070 -0.063 0.000 2.592 253 H HA 0.456 5.012 4.556 0.000 0.000 0.279 253 H C 0.979 176.241 175.328 -0.109 0.000 1.089 253 H CA 0.152 56.151 56.048 -0.082 0.000 1.150 253 H CB -0.128 29.601 29.762 -0.054 0.000 1.575 253 H HN 0.483 nan 8.280 nan 0.000 0.547 254 A N 1.516 124.269 122.820 -0.112 0.000 2.477 254 A HA 0.085 4.405 4.320 0.000 0.000 0.246 254 A C 1.381 178.785 177.584 -0.301 0.000 1.078 254 A CA -0.331 51.624 52.037 -0.137 0.000 0.770 254 A CB 0.512 19.458 19.000 -0.090 0.000 1.011 254 A HN 0.332 nan 8.150 nan 0.000 0.494 255 K N 1.805 122.050 120.400 -0.260 0.000 2.147 255 K HA -0.083 4.237 4.320 0.000 0.000 0.205 255 K C 1.332 177.711 176.600 -0.367 0.000 1.049 255 K CA 1.180 57.274 56.287 -0.322 0.000 0.936 255 K CB -0.298 32.092 32.500 -0.182 0.000 0.722 255 K HN 1.712 nan 8.250 nan 0.000 0.446 256 G N 0.192 108.853 108.800 -0.232 0.000 2.137 256 G HA2 -0.234 3.726 3.960 0.000 0.000 0.237 256 G HA3 -0.234 3.726 3.960 0.000 0.000 0.237 256 G C 0.880 175.765 174.900 -0.025 0.000 1.002 256 G CA 0.448 45.468 45.100 -0.132 0.000 0.702 256 G HN 0.433 nan 8.290 nan 0.000 0.515 257 G N 0.342 109.120 108.800 -0.037 0.000 2.470 257 G HA2 0.190 4.150 3.960 0.000 0.000 0.220 257 G HA3 0.190 4.150 3.960 0.000 0.000 0.220 257 G C 1.779 176.691 174.900 0.020 0.000 1.121 257 G CA 1.581 46.677 45.100 -0.006 0.000 0.766 257 G HN 1.449 nan 8.290 nan 0.000 0.553 258 G N 1.075 109.892 108.800 0.028 0.000 2.462 258 G HA2 -0.001 3.960 3.960 0.000 0.000 0.220 258 G HA3 -0.001 3.960 3.960 0.000 0.000 0.220 258 G C 1.950 176.893 174.900 0.072 0.000 1.121 258 G CA 1.404 46.534 45.100 0.051 0.000 0.758 258 G HN 0.601 nan 8.290 nan 0.000 0.559 259 A N 0.614 123.482 122.820 0.081 0.000 1.902 259 A HA 0.079 4.399 4.320 0.000 0.000 0.217 259 A C 2.331 179.955 177.584 0.066 0.000 1.181 259 A CA 1.181 53.273 52.037 0.092 0.000 0.623 259 A CB -0.295 18.776 19.000 0.118 0.000 0.818 259 A HN 0.290 nan 8.150 nan 0.000 0.443 260 L N 0.009 121.261 121.223 0.048 0.000 2.093 260 L HA -0.089 4.251 4.340 0.000 0.000 0.208 260 L C 2.698 179.585 176.870 0.027 0.000 1.085 260 L CA 2.030 56.888 54.840 0.029 0.000 0.755 260 L CB -1.608 40.460 42.059 0.014 0.000 0.904 260 L HN 0.360 nan 8.230 nan 0.000 0.435 261 S N 0.318 116.037 115.700 0.031 0.000 2.356 261 S HA -0.140 4.330 4.470 0.000 0.000 0.223 261 S C 2.159 176.776 174.600 0.029 0.000 1.032 261 S CA 1.224 59.439 58.200 0.025 0.000 1.005 261 S CB -0.213 63.003 63.200 0.026 0.000 0.867 261 S HN 0.503 nan 8.310 nan 0.000 0.449 262 A N 0.811 123.660 122.820 0.049 0.000 1.930 262 A HA -0.011 4.309 4.320 0.000 0.000 0.217 262 A C 2.329 179.940 177.584 0.045 0.000 1.175 262 A CA 1.431 53.500 52.037 0.053 0.000 0.627 262 A CB -0.960 18.110 19.000 0.118 0.000 0.815 262 A HN 0.350 nan 8.150 nan 0.000 0.443 263 V N -0.126 119.816 119.914 0.047 0.000 2.343 263 V HA -0.155 3.966 4.120 0.000 0.000 0.247 263 V C 2.754 178.861 176.094 0.022 0.000 1.051 263 V CA 2.326 64.648 62.300 0.036 0.000 1.036 263 V CB -0.745 31.095 31.823 0.030 0.000 0.654 263 V HN 0.585 nan 8.190 nan 0.000 0.451 264 A N -0.380 122.450 122.820 0.017 0.000 1.933 264 A HA 0.016 4.336 4.320 0.000 0.000 0.218 264 A C 2.253 179.841 177.584 0.007 0.000 1.175 264 A CA 2.148 54.191 52.037 0.010 0.000 0.628 264 A CB -0.734 18.270 19.000 0.008 0.000 0.814 264 A HN 0.884 nan 8.150 nan 0.000 0.444 265 A N -1.268 121.555 122.820 0.006 0.000 2.220 265 A HA 0.212 4.532 4.320 0.000 0.000 0.211 265 A C 2.088 179.672 177.584 0.001 0.000 1.176 265 A CA 1.664 53.701 52.037 -0.001 0.000 0.834 265 A CB -0.430 18.564 19.000 -0.009 0.000 0.868 265 A HN 0.671 nan 8.150 nan 0.000 0.488 266 T N -4.789 109.770 114.554 0.008 0.000 3.000 266 T HA 0.127 4.477 4.350 0.000 0.000 0.248 266 T C 0.619 175.328 174.700 0.016 0.000 1.034 266 T CA 0.505 62.613 62.100 0.013 0.000 1.060 266 T CB -0.059 68.822 68.868 0.021 0.000 0.983 266 T HN 0.187 nan 8.240 nan 0.000 0.482 267 K N 2.295 122.705 120.400 0.017 0.000 3.148 267 K HA -0.124 4.196 4.320 0.000 0.000 0.267 267 K C -0.266 176.346 176.600 0.020 0.000 0.996 267 K CA 0.965 57.261 56.287 0.016 0.000 0.737 267 K CB -2.578 29.927 32.500 0.009 0.000 1.308 267 K HN 0.837 nan 8.250 nan 0.000 0.470 268 S N -0.382 115.337 115.700 0.033 0.000 2.532 268 S HA 0.709 5.179 4.470 0.000 0.000 0.299 268 S C -2.406 172.228 174.600 0.058 0.000 1.105 268 S CA -1.484 56.742 58.200 0.043 0.000 1.018 268 S CB 2.882 66.114 63.200 0.054 0.000 1.021 268 S HN -0.036 nan 8.310 nan 0.000 0.483 269 P HA 0.355 nan 4.420 nan 0.000 0.274 269 P C -0.386 176.959 177.300 0.076 0.000 1.231 269 P CA -0.701 62.428 63.100 0.048 0.000 0.790 269 P CB 0.104 31.826 31.700 0.036 0.000 0.951 270 I N 0.266 120.857 120.570 0.035 0.000 2.269 270 I HA 0.163 4.333 4.170 0.000 0.000 0.293 270 I C 1.048 177.133 176.117 -0.054 0.000 1.106 270 I CA -0.047 61.272 61.300 0.031 0.000 1.248 270 I CB -0.240 37.765 38.000 0.010 0.000 1.444 270 I HN 0.174 nan 8.210 nan 0.000 0.497 271 I N 4.888 125.414 120.570 -0.072 0.000 2.163 271 I HA 0.045 4.215 4.170 0.000 0.000 0.240 271 I C 0.302 176.038 176.117 -0.635 0.000 1.081 271 I CA 1.577 62.602 61.300 -0.458 0.000 1.353 271 I CB -0.092 37.445 38.000 -0.771 0.000 1.054 271 I HN 0.485 nan 8.210 nan 0.000 0.407 272 F N 0.197 119.982 119.950 -0.275 0.000 2.593 272 F HA 0.470 4.997 4.527 0.000 0.000 0.320 272 F C -0.095 175.505 175.800 -0.334 0.000 1.060 272 F CA -1.114 56.592 58.000 -0.489 0.000 0.940 272 F CB 1.737 40.384 39.000 -0.587 0.000 1.268 272 F HN -0.314 nan 8.300 nan 0.000 0.475 273 I N 1.467 121.917 120.570 -0.200 0.000 2.406 273 I HA 0.333 4.503 4.170 0.000 0.000 0.290 273 I C 0.173 176.220 176.117 -0.116 0.000 0.999 273 I CA -0.652 60.570 61.300 -0.129 0.000 1.124 273 I CB 1.105 39.006 38.000 -0.166 0.000 1.289 273 I HN 0.618 nan 8.210 nan 0.000 0.441 274 G N 3.645 112.444 108.800 -0.003 0.000 2.327 274 G HA2 0.437 4.397 3.960 0.000 0.000 0.302 274 G HA3 0.437 4.397 3.960 0.000 0.000 0.302 274 G C 0.753 175.652 174.900 -0.002 0.000 1.113 274 G CA -0.009 45.108 45.100 0.029 0.000 0.921 274 G HN 0.750 nan 8.290 nan 0.000 0.425 275 T N 1.359 115.902 114.554 -0.019 0.000 2.967 275 T HA 0.364 4.714 4.350 0.000 0.000 0.238 275 T C 1.392 176.082 174.700 -0.016 0.000 1.024 275 T CA 0.772 62.852 62.100 -0.032 0.000 1.234 275 T CB -0.261 68.560 68.868 -0.079 0.000 0.931 275 T HN 0.601 nan 8.240 nan 0.000 0.417 276 G N 0.746 109.546 108.800 -0.001 0.000 2.642 276 G HA2 0.473 4.433 3.960 0.000 0.000 0.291 276 G HA3 0.473 4.433 3.960 0.000 0.000 0.291 276 G C 0.451 175.366 174.900 0.024 0.000 1.345 276 G CA -0.015 45.107 45.100 0.038 0.000 1.043 276 G HN 0.490 nan 8.290 nan 0.000 0.528 277 E N -0.482 119.714 120.200 -0.006 0.000 2.474 277 E HA -0.002 4.348 4.350 0.000 0.000 0.194 277 E C -0.231 176.271 176.600 -0.164 0.000 1.041 277 E CA 0.046 56.381 56.400 -0.109 0.000 0.874 277 E CB -0.281 29.318 29.700 -0.168 0.000 0.914 277 E HN 0.516 nan 8.360 nan 0.000 0.498 278 H N 0.893 119.939 119.070 -0.039 0.000 2.629 278 H HA 0.102 4.659 4.556 0.000 0.000 0.357 278 H C 1.558 176.842 175.328 -0.073 0.000 1.121 278 H CA -0.373 55.644 56.048 -0.051 0.000 1.406 278 H CB 0.982 30.726 29.762 -0.029 0.000 1.456 278 H HN -0.090 nan 8.280 nan 0.000 0.579 279 I N 0.975 121.540 120.570 -0.008 0.000 2.399 279 I HA -0.221 3.949 4.170 0.000 0.000 0.254 279 I C 1.577 177.660 176.117 -0.056 0.000 1.146 279 I CA 1.470 62.713 61.300 -0.095 0.000 1.412 279 I CB -0.437 37.437 38.000 -0.211 0.000 1.076 279 I HN 0.706 nan 8.210 nan 0.000 0.432 280 D N 0.422 120.816 120.400 -0.011 0.000 2.340 280 D HA -0.049 4.591 4.640 0.000 0.000 0.217 280 D C 0.126 176.509 176.300 0.140 0.000 1.081 280 D CA 0.147 54.225 54.000 0.130 0.000 0.842 280 D CB -0.028 40.848 40.800 0.126 0.000 0.934 280 D HN 0.092 nan 8.370 nan 0.000 0.511 281 D N 0.562 121.019 120.400 0.096 0.000 2.896 281 D HA 0.095 4.735 4.640 0.000 0.000 0.240 281 D C -0.774 175.586 176.300 0.099 0.000 1.193 281 D CA -0.150 53.892 54.000 0.071 0.000 0.983 281 D CB -0.637 40.195 40.800 0.053 0.000 1.074 281 D HN 0.150 nan 8.370 nan 0.000 0.496 282 F N 0.671 120.565 119.950 -0.093 0.000 2.532 282 F HA 0.385 4.912 4.527 0.000 0.000 0.321 282 F C 0.607 176.308 175.800 -0.164 0.000 1.089 282 F CA -0.458 57.418 58.000 -0.206 0.000 0.926 282 F CB 1.915 40.683 39.000 -0.387 0.000 1.168 282 F HN -0.202 nan 8.300 nan 0.000 0.459 283 E N 3.312 123.132 120.200 -0.633 0.000 3.541 283 E HA 0.220 4.570 4.350 0.000 0.000 0.275 283 E C -2.143 174.242 176.600 -0.358 0.000 1.217 283 E CA 0.467 56.649 56.400 -0.363 0.000 1.883 283 E CB 0.949 30.572 29.700 -0.129 0.000 1.954 283 E HN 0.553 nan 8.360 nan 0.000 0.889 284 P HA -0.128 nan 4.420 nan 0.000 0.535 284 P C 0.375 177.647 177.300 -0.047 0.000 0.593 284 P CA 1.242 64.254 63.100 -0.146 0.000 2.509 284 P CB -0.917 30.745 31.700 -0.064 0.000 1.141 285 F N 2.690 122.523 119.950 -0.194 0.000 2.134 285 F HA 0.000 4.527 4.527 0.000 0.000 0.299 285 F C 0.726 176.414 175.800 -0.186 0.000 1.097 285 F CA 1.919 59.817 58.000 -0.169 0.000 1.264 285 F CB -0.159 38.762 39.000 -0.132 0.000 1.001 285 F HN -0.172 nan 8.300 nan 0.000 0.479 286 K N -1.252 119.143 120.400 -0.008 0.000 1.292 286 K HA -0.223 4.097 4.320 0.000 0.000 0.815 286 K C 0.573 177.095 176.600 -0.130 0.000 2.082 286 K CA 0.522 56.725 56.287 -0.140 0.000 1.348 286 K CB -1.884 30.503 32.500 -0.187 0.000 2.536 286 K HN 0.121 nan 8.250 nan 0.000 0.273 287 T N 1.297 115.758 114.554 -0.156 0.000 2.946 287 T HA -0.168 4.182 4.350 0.000 0.000 0.271 287 T C 1.742 176.410 174.700 -0.053 0.000 1.104 287 T CA 1.824 63.841 62.100 -0.138 0.000 1.114 287 T CB -0.217 68.581 68.868 -0.116 0.000 0.867 287 T HN 0.342 nan 8.240 nan 0.000 0.513 288 Q N 0.475 120.229 119.800 -0.077 0.000 2.112 288 Q HA -0.083 4.257 4.340 0.000 0.000 0.206 288 Q C -0.509 175.698 176.000 0.345 0.000 0.987 288 Q CA 1.497 57.327 55.803 0.045 0.000 0.858 288 Q CB -1.472 27.048 28.738 -0.363 0.000 0.905 288 Q HN 0.467 nan 8.270 nan 0.000 0.420 289 P HA -0.042 nan 4.420 nan 0.000 0.220 289 P C 1.319 178.951 177.300 0.553 0.000 1.154 289 P CA 0.795 64.595 63.100 1.167 0.000 0.830 289 P CB -0.184 31.862 31.700 0.576 0.000 0.803 290 F N -0.048 120.073 119.950 0.286 0.000 2.051 290 F HA -0.140 4.387 4.527 0.000 0.000 0.296 290 F C 2.355 178.240 175.800 0.141 0.000 1.122 290 F CA 0.621 58.681 58.000 0.100 0.000 1.201 290 F CB -1.790 37.213 39.000 0.004 0.000 0.978 290 F HN -0.233 nan 8.300 nan 0.000 0.472 291 I N -0.065 120.590 120.570 0.141 0.000 2.132 291 I HA -0.462 3.708 4.170 0.000 0.000 0.238 291 I C 2.593 180.014 176.117 2.173 0.000 1.012 291 I CA 2.127 63.326 61.300 -0.169 0.000 1.288 291 I CB -1.186 31.411 38.000 -9.006 0.000 0.997 291 I HN 0.003 nan 8.210 nan 0.000 0.402 292 S N -0.582 115.750 115.700 1.052 0.000 2.374 292 S HA -0.289 4.181 4.470 0.000 0.000 0.227 292 S C 2.025 176.793 174.600 0.281 0.000 1.037 292 S CA 1.717 60.109 58.200 0.321 0.000 1.024 292 S CB -0.327 63.035 63.200 0.270 0.000 0.861 292 S HN 0.354 nan 8.310 nan 0.000 0.456 293 K N 0.558 121.159 120.400 0.334 0.000 2.063 293 K HA -0.059 4.262 4.320 0.000 0.000 0.208 293 K C 0.005 176.672 176.600 0.111 0.000 1.048 293 K CA 1.047 57.446 56.287 0.187 0.000 0.928 293 K CB -0.022 32.583 32.500 0.175 0.000 0.713 293 K HN 0.413 nan 8.250 nan 0.000 0.442 294 L N -1.972 119.347 121.223 0.160 0.000 2.983 294 L HA 0.357 4.697 4.340 0.000 0.000 0.249 294 L C -1.366 175.602 176.870 0.163 0.000 0.963 294 L CA -0.989 53.952 54.840 0.170 0.000 1.011 294 L CB 0.745 42.823 42.059 0.032 0.000 1.607 294 L HN -0.179 nan 8.230 nan 0.000 0.447 295 L N 0.265 121.577 121.223 0.148 0.000 2.397 295 L HA 0.664 5.004 4.340 0.000 0.000 0.251 295 L C 1.179 178.081 176.870 0.054 0.000 1.064 295 L CA -0.495 54.392 54.840 0.078 0.000 0.859 295 L CB 2.079 44.155 42.059 0.028 0.000 1.468 295 L HN 0.853 nan 8.230 nan 0.000 0.411 296 G N -0.404 108.413 108.800 0.028 0.000 2.679 296 G HA2 -0.047 3.913 3.960 0.000 0.000 0.212 296 G HA3 -0.047 3.913 3.960 0.000 0.000 0.212 296 G C 0.987 175.898 174.900 0.018 0.000 1.137 296 G CA 0.280 45.395 45.100 0.025 0.000 0.787 296 G HN 0.520 nan 8.290 nan 0.000 0.534 297 M N 0.647 120.250 119.600 0.006 0.000 2.558 297 M HA 0.178 4.658 4.480 0.000 0.000 0.255 297 M C 2.024 178.340 176.300 0.027 0.000 1.113 297 M CA 0.643 55.941 55.300 -0.003 0.000 1.097 297 M CB 0.333 32.905 32.600 -0.047 0.000 1.426 297 M HN 0.093 nan 8.290 nan 0.000 0.488 298 G N 0.839 109.671 108.800 0.053 0.000 3.397 298 G HA2 0.045 4.005 3.960 0.000 0.000 0.248 298 G HA3 0.045 4.005 3.960 0.000 0.000 0.248 298 G C -0.202 174.722 174.900 0.041 0.000 1.284 298 G CA -0.029 45.112 45.100 0.069 0.000 1.570 298 G HN 0.348 nan 8.290 nan 0.000 0.587 299 D N -0.610 119.809 120.400 0.032 0.000 2.538 299 D HA 0.107 4.747 4.640 0.000 0.000 0.241 299 D C 1.951 178.265 176.300 0.023 0.000 1.297 299 D CA -0.291 53.724 54.000 0.026 0.000 0.804 299 D CB 0.504 41.320 40.800 0.027 0.000 1.122 299 D HN 0.386 nan 8.370 nan 0.000 0.519 300 I N 0.874 121.457 120.570 0.022 0.000 2.260 300 I HA -0.109 4.061 4.170 0.000 0.000 0.237 300 I C 2.158 178.299 176.117 0.040 0.000 1.075 300 I CA 0.752 62.063 61.300 0.019 0.000 1.376 300 I CB -0.035 37.964 38.000 -0.002 0.000 1.107 300 I HN -0.148 nan 8.210 nan 0.000 0.420 301 E N 1.287 121.526 120.200 0.064 0.000 2.086 301 E HA -0.241 4.109 4.350 0.000 0.000 0.200 301 E C 2.181 178.857 176.600 0.126 0.000 1.012 301 E CA 1.410 57.897 56.400 0.145 0.000 0.812 301 E CB -0.551 29.297 29.700 0.247 0.000 0.743 301 E HN 0.635 nan 8.360 nan 0.000 0.453 302 G N 2.438 111.271 108.800 0.055 0.000 2.719 302 G HA2 -0.302 3.659 3.960 0.000 0.000 0.219 302 G HA3 -0.302 3.659 3.960 0.000 0.000 0.219 302 G C 1.309 176.231 174.900 0.037 0.000 1.234 302 G CA 1.488 46.595 45.100 0.011 0.000 0.788 302 G HN 0.336 nan 8.290 nan 0.000 0.619 303 L N 0.012 121.258 121.223 0.039 0.000 3.499 303 L HA 0.371 4.711 4.340 0.000 0.000 0.265 303 L C 1.379 178.278 176.870 0.049 0.000 1.324 303 L CA 0.410 55.274 54.840 0.039 0.000 1.067 303 L CB -0.611 41.466 42.059 0.029 0.000 1.487 303 L HN 0.236 nan 8.230 nan 0.000 0.415 304 I N -1.167 119.451 120.570 0.079 0.000 2.499 304 I HA -0.018 4.152 4.170 0.000 0.000 0.243 304 I C 1.808 177.967 176.117 0.070 0.000 1.085 304 I CA 0.426 61.785 61.300 0.098 0.000 1.422 304 I CB -0.168 37.955 38.000 0.206 0.000 1.165 304 I HN 0.248 nan 8.210 nan 0.000 0.440 305 D N 1.492 121.922 120.400 0.050 0.000 2.149 305 D HA -0.257 4.383 4.640 0.000 0.000 0.194 305 D C 1.916 178.236 176.300 0.033 0.000 1.001 305 D CA 1.407 55.419 54.000 0.020 0.000 0.849 305 D CB -0.235 40.552 40.800 -0.021 0.000 0.939 305 D HN 0.230 nan 8.370 nan 0.000 0.449 306 K N 0.541 120.963 120.400 0.036 0.000 1.971 306 K HA -0.177 4.143 4.320 0.000 0.000 0.221 306 K C 2.001 178.626 176.600 0.042 0.000 1.050 306 K CA 1.625 57.936 56.287 0.039 0.000 0.967 306 K CB -0.331 32.190 32.500 0.034 0.000 0.733 306 K HN -0.066 nan 8.250 nan 0.000 0.445 307 V N 1.536 121.474 119.914 0.040 0.000 2.232 307 V HA -0.232 3.888 4.120 0.000 0.000 0.237 307 V C 1.063 177.185 176.094 0.046 0.000 1.035 307 V CA 1.590 63.914 62.300 0.040 0.000 0.988 307 V CB -0.909 30.935 31.823 0.035 0.000 0.636 307 V HN 0.557 nan 8.190 nan 0.000 0.456 308 N N 1.309 120.040 118.700 0.052 0.000 2.355 308 N HA -0.091 4.649 4.740 0.000 0.000 0.282 308 N C 0.365 175.910 175.510 0.058 0.000 1.374 308 N CA 0.793 53.878 53.050 0.059 0.000 0.929 308 N CB -0.515 38.016 38.487 0.074 0.000 1.278 308 N HN 0.524 nan 8.380 nan 0.000 0.491 309 E N 1.062 121.297 120.200 0.059 0.000 4.499 309 E HA -0.168 4.182 4.350 0.000 0.000 0.383 309 E C -0.111 176.528 176.600 0.066 0.000 0.592 309 E CA 0.166 56.603 56.400 0.061 0.000 1.566 309 E CB -1.433 28.298 29.700 0.052 0.000 1.902 309 E HN 0.503 nan 8.360 nan 0.000 0.316 310 L N 0.422 121.682 121.223 0.062 0.000 2.653 310 L HA 0.277 4.617 4.340 0.000 0.000 0.230 310 L C 1.884 178.792 176.870 0.063 0.000 1.055 310 L CA 1.126 56.007 54.840 0.068 0.000 0.880 310 L CB 0.092 42.184 42.059 0.056 0.000 1.195 310 L HN -0.074 nan 8.230 nan 0.000 0.492 311 K N -0.230 120.200 120.400 0.051 0.000 2.160 311 K HA -0.208 4.112 4.320 0.000 0.000 0.206 311 K C 1.893 178.522 176.600 0.049 0.000 1.047 311 K CA 1.590 57.903 56.287 0.043 0.000 0.930 311 K CB -0.449 32.072 32.500 0.034 0.000 0.720 311 K HN 0.202 nan 8.250 nan 0.000 0.450 312 L N 1.982 123.237 121.223 0.054 0.000 2.054 312 L HA -0.326 4.014 4.340 0.000 0.000 0.220 312 L C 1.219 178.131 176.870 0.069 0.000 1.081 312 L CA 2.036 56.911 54.840 0.058 0.000 0.780 312 L CB -0.565 41.535 42.059 0.068 0.000 0.893 312 L HN 0.188 nan 8.230 nan 0.000 0.438 313 D N -0.489 119.965 120.400 0.089 0.000 1.706 313 D HA -0.044 4.596 4.640 0.000 0.000 0.299 313 D C 0.651 177.001 176.300 0.083 0.000 1.173 313 D CA 1.498 55.564 54.000 0.110 0.000 1.020 313 D CB -0.146 40.740 40.800 0.143 0.000 1.690 313 D HN 0.537 nan 8.370 nan 0.000 0.585 314 D N -1.812 118.620 120.400 0.053 0.000 2.993 314 D HA 0.045 4.685 4.640 0.000 0.000 0.284 314 D C -1.862 174.467 176.300 0.049 0.000 1.172 314 D CA -0.522 53.515 54.000 0.062 0.000 0.729 314 D CB 0.393 41.246 40.800 0.089 0.000 1.270 314 D HN 0.019 nan 8.370 nan 0.000 0.436 315 N N 1.286 120.013 118.700 0.045 0.000 2.296 315 N HA 0.284 5.024 4.740 0.000 0.000 0.294 315 N C -0.421 175.107 175.510 0.030 0.000 1.033 315 N CA -0.157 52.912 53.050 0.032 0.000 0.839 315 N CB 1.956 40.455 38.487 0.020 0.000 1.395 315 N HN 0.572 nan 8.380 nan 0.000 0.479 316 E N 0.913 121.129 120.200 0.027 0.000 3.370 316 E HA -0.303 4.047 4.350 0.000 0.000 0.291 316 E C -0.250 176.371 176.600 0.034 0.000 0.916 316 E CA 0.679 57.093 56.400 0.024 0.000 0.981 316 E CB -1.232 28.478 29.700 0.017 0.000 1.498 316 E HN 0.852 nan 8.360 nan 0.000 0.452 317 A N -0.667 122.181 122.820 0.046 0.000 2.869 317 A HA -0.278 4.042 4.320 0.000 0.000 0.280 317 A C 1.186 178.810 177.584 0.067 0.000 1.458 317 A CA 1.242 53.316 52.037 0.062 0.000 0.776 317 A CB -2.231 16.800 19.000 0.050 0.000 1.028 317 A HN 0.377 nan 8.150 nan 0.000 0.547 318 L N -0.845 120.414 121.223 0.060 0.000 2.131 318 L HA -0.147 4.193 4.340 0.000 0.000 0.210 318 L C 2.249 179.164 176.870 0.074 0.000 1.092 318 L CA 1.716 56.591 54.840 0.059 0.000 0.759 318 L CB -0.456 41.631 42.059 0.046 0.000 0.903 318 L HN 0.698 nan 8.230 nan 0.000 0.435 319 I N 0.420 121.041 120.570 0.084 0.000 2.992 319 I HA -0.307 3.863 4.170 0.000 0.000 0.277 319 I C 0.514 176.701 176.117 0.116 0.000 1.277 319 I CA 0.935 62.289 61.300 0.090 0.000 1.429 319 I CB -0.774 37.291 38.000 0.108 0.000 1.104 319 I HN 0.430 nan 8.210 nan 0.000 0.498 320 E N -0.349 119.929 120.200 0.129 0.000 2.868 320 E HA -0.279 4.071 4.350 0.000 0.000 0.278 320 E C 0.559 177.329 176.600 0.283 0.000 1.009 320 E CA 0.486 56.980 56.400 0.158 0.000 0.856 320 E CB -1.316 28.459 29.700 0.124 0.000 1.428 320 E HN 0.549 nan 8.360 nan 0.000 0.423 321 K N -1.456 119.103 120.400 0.265 0.000 3.445 321 K HA -0.300 4.020 4.320 0.000 0.000 0.316 321 K C 0.865 177.987 176.600 0.870 0.000 1.278 321 K CA 1.600 58.049 56.287 0.270 0.000 0.976 321 K CB -1.260 31.263 32.500 0.037 0.000 1.238 321 K HN 0.447 nan 8.250 nan 0.000 0.430 322 L N -2.046 120.235 121.223 1.764 0.000 7.272 322 L HA -0.424 3.916 4.340 0.000 0.000 0.167 322 L C 1.117 178.271 176.870 0.474 0.000 1.192 322 L CA 1.680 58.899 54.840 3.966 0.000 1.417 322 L CB -0.935 40.843 42.059 -0.468 0.000 2.687 322 L HN 0.440 nan 8.230 nan 0.000 1.105 323 K N -1.650 118.458 120.400 -0.486 0.000 1.860 323 K HA -0.264 4.057 4.320 0.000 0.000 0.320 323 K C 0.896 177.445 176.600 -0.086 0.000 1.716 323 K CA 1.206 57.351 56.287 -0.236 0.000 0.609 323 K CB -0.927 31.540 32.500 -0.056 0.000 0.915 323 K HN 0.738 nan 8.250 nan 0.000 0.766 324 H N 0.496 119.662 119.070 0.160 0.000 2.399 324 H HA 0.029 4.585 4.556 0.000 0.000 0.300 324 H C 1.895 177.354 175.328 0.218 0.000 1.048 324 H CA 1.281 57.435 56.048 0.177 0.000 1.370 324 H CB -0.521 29.307 29.762 0.111 0.000 1.428 324 H HN 0.700 nan 8.280 nan 0.000 0.534 325 G N 1.563 110.544 108.800 0.301 0.000 2.998 325 G HA2 -0.399 3.561 3.960 0.000 0.000 0.855 325 G HA3 -0.399 3.561 3.960 0.000 0.000 0.855 325 G C 1.217 176.203 174.900 0.144 0.000 1.032 325 G CA 1.496 46.719 45.100 0.206 0.000 0.804 325 G HN 0.448 nan 8.290 nan 0.000 0.970 326 Q N -0.629 119.191 119.800 0.033 0.000 2.224 326 Q HA 0.004 4.344 4.340 0.000 0.000 0.203 326 Q C 2.529 178.417 176.000 -0.185 0.000 0.970 326 Q CA 1.432 57.147 55.803 -0.147 0.000 0.865 326 Q CB -0.135 28.412 28.738 -0.317 0.000 0.922 326 Q HN 0.595 nan 8.270 nan 0.000 0.445 327 F N 0.260 120.231 119.950 0.035 0.000 2.451 327 F HA -0.112 4.415 4.527 0.000 0.000 0.299 327 F C 2.185 178.115 175.800 0.216 0.000 1.101 327 F CA 0.869 58.909 58.000 0.066 0.000 1.436 327 F CB -0.380 38.928 39.000 0.514 0.000 1.074 327 F HN -0.042 nan 8.300 nan 0.000 0.553 328 T N 0.910 115.655 114.554 0.318 0.000 3.052 328 T HA -0.126 4.224 4.350 0.000 0.000 0.270 328 T C 2.041 176.800 174.700 0.098 0.000 1.147 328 T CA 0.756 62.980 62.100 0.207 0.000 1.089 328 T CB -0.387 68.580 68.868 0.166 0.000 0.875 328 T HN 0.268 nan 8.240 nan 0.000 0.541 329 L N 0.386 121.636 121.223 0.045 0.000 2.023 329 L HA 0.004 4.344 4.340 0.000 0.000 0.205 329 L C 2.637 179.505 176.870 -0.003 0.000 1.073 329 L CA 1.207 56.042 54.840 -0.008 0.000 0.745 329 L CB -0.482 41.535 42.059 -0.070 0.000 0.900 329 L HN 0.108 nan 8.230 nan 0.000 0.435 330 R N 0.789 121.293 120.500 0.006 0.000 2.397 330 R HA -0.152 4.189 4.340 0.000 0.000 0.213 330 R C 0.259 176.528 176.300 -0.052 0.000 1.102 330 R CA 0.892 56.974 56.100 -0.031 0.000 1.040 330 R CB -0.787 29.528 30.300 0.025 0.000 0.844 330 R HN 0.492 nan 8.270 nan 0.000 0.478 331 D N -0.033 120.358 120.400 -0.014 0.000 2.767 331 D HA -0.023 4.617 4.640 0.000 0.000 0.231 331 D C 0.857 177.168 176.300 0.019 0.000 1.105 331 D CA 0.176 54.153 54.000 -0.038 0.000 1.024 331 D CB 0.243 41.044 40.800 0.001 0.000 1.123 331 D HN 0.153 nan 8.370 nan 0.000 0.470 332 M N 0.098 119.615 119.600 -0.138 0.000 1.744 332 M HA 0.064 4.544 4.480 0.000 0.000 0.255 332 M C 0.288 176.240 176.300 -0.579 0.000 1.044 332 M CA -0.451 54.608 55.300 -0.400 0.000 1.003 332 M CB 0.032 32.453 32.600 -0.298 0.000 1.880 332 M HN 0.119 nan 8.290 nan 0.000 0.673 333 Y N 2.205 122.272 120.300 -0.388 0.000 2.145 333 Y HA -0.173 4.377 4.550 0.000 0.000 0.286 333 Y C 1.753 177.612 175.900 -0.069 0.000 1.145 333 Y CA 2.776 60.736 58.100 -0.233 0.000 1.148 333 Y CB -0.021 38.411 38.460 -0.047 0.000 0.981 333 Y HN 0.350 nan 8.280 nan 0.000 0.507 334 E N -0.639 119.646 120.200 0.142 0.000 2.072 334 E HA -0.235 4.115 4.350 0.000 0.000 0.191 334 E C 2.167 178.910 176.600 0.239 0.000 0.985 334 E CA 1.195 57.729 56.400 0.223 0.000 0.801 334 E CB -0.106 29.756 29.700 0.269 0.000 0.750 334 E HN 0.477 nan 8.360 nan 0.000 0.452 335 Q N -0.179 119.635 119.800 0.023 0.000 2.124 335 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 335 Q C 2.028 178.213 176.000 0.309 0.000 0.977 335 Q CA 1.053 56.887 55.803 0.052 0.000 0.850 335 Q CB -0.240 28.039 28.738 -0.765 0.000 0.901 335 Q HN 0.298 nan 8.270 nan 0.000 0.429 336 F N 1.479 121.363 119.950 -0.111 0.000 2.216 336 F HA -0.118 4.409 4.527 0.000 0.000 0.300 336 F C 2.373 178.113 175.800 -0.100 0.000 1.085 336 F CA 0.793 58.748 58.000 -0.075 0.000 1.326 336 F CB -0.643 38.246 39.000 -0.185 0.000 1.027 336 F HN 0.191 nan 8.300 nan 0.000 0.497 337 Q N -0.178 119.633 119.800 0.018 0.000 2.046 337 Q HA -0.178 4.162 4.340 0.000 0.000 0.200 337 Q C 1.962 177.969 176.000 0.011 0.000 0.975 337 Q CA 1.351 57.050 55.803 -0.174 0.000 0.836 337 Q CB -0.233 28.216 28.738 -0.481 0.000 0.896 337 Q HN 0.324 nan 8.270 nan 0.000 0.428 338 N N 0.618 119.628 118.700 0.516 0.000 2.166 338 N HA -0.098 4.642 4.740 0.000 0.000 0.186 338 N C 1.732 177.400 175.510 0.264 0.000 1.019 338 N CA 0.993 54.424 53.050 0.634 0.000 0.856 338 N CB -0.127 38.614 38.487 0.423 0.000 0.993 338 N HN 0.252 nan 8.380 nan 0.000 0.426 339 I N 1.160 121.868 120.570 0.231 0.000 2.193 339 I HA -0.157 4.013 4.170 0.000 0.000 0.240 339 I C 1.032 177.172 176.117 0.038 0.000 1.084 339 I CA 0.263 61.642 61.300 0.132 0.000 1.365 339 I CB -0.296 37.799 38.000 0.159 0.000 1.064 339 I HN 0.062 nan 8.210 nan 0.000 0.410 340 M N 0.447 119.980 119.600 -0.111 0.000 7.317 340 M HA -0.398 4.082 4.480 0.000 0.000 0.170 340 M C 1.398 177.683 176.300 -0.025 0.000 0.480 340 M CA 1.467 56.709 55.300 -0.098 0.000 1.311 340 M CB -0.888 31.632 32.600 -0.135 0.000 0.421 340 M HN 0.198 nan 8.290 nan 0.000 0.189 341 K N -0.265 120.145 120.400 0.017 0.000 2.442 341 K HA -0.079 4.241 4.320 0.000 0.000 0.198 341 K C 1.262 177.940 176.600 0.129 0.000 1.044 341 K CA 1.283 57.617 56.287 0.079 0.000 0.948 341 K CB 0.025 32.586 32.500 0.103 0.000 0.762 341 K HN 0.412 nan 8.250 nan 0.000 0.472 342 M N 0.062 119.730 119.600 0.113 0.000 2.608 342 M HA 0.121 4.601 4.480 0.000 0.000 0.224 342 M C 0.835 177.179 176.300 0.073 0.000 1.204 342 M CA -0.074 55.289 55.300 0.106 0.000 0.984 342 M CB 0.511 33.173 32.600 0.104 0.000 1.691 342 M HN 0.230 nan 8.290 nan 0.000 0.469 343 G N -0.174 108.659 108.800 0.056 0.000 2.561 343 G HA2 0.261 4.221 3.960 0.000 0.000 0.197 343 G HA3 0.261 4.221 3.960 0.000 0.000 0.197 343 G C -2.121 172.774 174.900 -0.009 0.000 1.250 343 G CA -0.093 44.982 45.100 -0.042 0.000 0.703 343 G HN 0.262 nan 8.290 nan 0.000 0.625 344 P HA -0.173 nan 4.420 nan 0.000 0.023 344 P C -0.417 177.721 177.300 1.395 0.000 0.780 344 P CA 1.417 65.085 63.100 0.947 0.000 1.034 344 P CB -1.157 30.609 31.700 0.110 0.000 1.898 345 F N -1.322 118.619 119.950 -0.015 0.000 0.675 345 F HA -0.117 4.410 4.527 0.000 0.000 0.240 345 F C 0.570 176.364 175.800 -0.010 0.000 0.552 345 F CA 0.525 58.515 58.000 -0.017 0.000 2.846 345 F CB -1.452 37.533 39.000 -0.025 0.000 3.799 345 F HN 0.316 nan 8.300 nan 0.000 0.192 346 S N 1.288 117.065 115.700 0.128 0.000 2.474 346 S HA 0.511 4.981 4.470 0.000 0.000 0.321 346 S C 0.433 175.057 174.600 0.040 0.000 1.080 346 S CA -0.595 57.654 58.200 0.082 0.000 1.106 346 S CB 2.068 65.313 63.200 0.075 0.000 0.984 346 S HN 0.297 nan 8.310 nan 0.000 0.464 347 Q N 2.281 122.101 119.800 0.034 0.000 2.083 347 Q HA 0.267 4.607 4.340 0.000 0.000 0.198 347 Q C 0.123 176.136 176.000 0.023 0.000 0.969 347 Q CA 1.061 56.878 55.803 0.022 0.000 0.838 347 Q CB -0.031 28.722 28.738 0.026 0.000 0.900 347 Q HN 0.765 nan 8.270 nan 0.000 0.436 348 I N -0.893 119.691 120.570 0.024 0.000 3.021 348 I HA 0.141 4.312 4.170 0.000 0.000 0.305 348 I C -1.091 175.038 176.117 0.020 0.000 1.434 348 I CA -1.037 60.276 61.300 0.022 0.000 0.969 348 I CB 1.899 39.909 38.000 0.017 0.000 1.328 348 I HN -0.064 nan 8.210 nan 0.000 0.486 349 L N 2.488 123.724 121.223 0.023 0.000 2.525 349 L HA 0.170 4.510 4.340 0.000 0.000 0.278 349 L C 0.923 177.799 176.870 0.009 0.000 1.218 349 L CA 0.073 54.928 54.840 0.025 0.000 0.878 349 L CB -0.042 42.041 42.059 0.040 0.000 1.127 349 L HN 0.750 nan 8.230 nan 0.000 0.492 350 G N 4.009 112.805 108.800 -0.006 0.000 2.367 350 G HA2 0.234 4.194 3.960 0.000 0.000 0.280 350 G HA3 0.234 4.194 3.960 0.000 0.000 0.280 350 G C 0.829 175.696 174.900 -0.056 0.000 1.175 350 G CA -0.563 44.513 45.100 -0.039 0.000 1.001 350 G HN 0.765 nan 8.290 nan 0.000 0.437 351 M N 3.075 122.648 119.600 -0.046 0.000 2.700 351 M HA -0.008 4.472 4.480 0.000 0.000 0.249 351 M C 2.146 178.397 176.300 -0.082 0.000 1.082 351 M CA 0.371 55.651 55.300 -0.033 0.000 1.077 351 M CB -0.393 32.195 32.600 -0.020 0.000 1.477 351 M HN 0.650 nan 8.290 nan 0.000 0.529 352 I N 1.553 122.047 120.570 -0.126 0.000 2.482 352 I HA -0.398 3.772 4.170 0.000 0.000 0.253 352 I C -0.865 175.157 176.117 -0.158 0.000 0.964 352 I CA 1.818 63.016 61.300 -0.171 0.000 1.343 352 I CB -1.863 35.979 38.000 -0.264 0.000 1.017 352 I HN 0.393 nan 8.210 nan 0.000 0.446 353 P HA -0.104 nan 4.420 nan 0.000 0.535 353 P C -0.022 177.212 177.300 -0.110 0.000 0.478 353 P CA 1.112 64.154 63.100 -0.096 0.000 2.508 353 P CB -1.502 30.140 31.700 -0.097 0.000 1.141 354 G N -0.627 108.035 108.800 -0.230 0.000 2.642 354 G HA2 0.709 4.669 3.960 0.000 0.000 0.293 354 G HA3 0.709 4.669 3.960 0.000 0.000 0.293 354 G C -1.737 172.910 174.900 -0.423 0.000 1.341 354 G CA -0.705 44.264 45.100 -0.217 0.000 0.916 354 G HN -0.035 nan 8.290 nan 0.000 0.474 355 F N -0.582 119.344 119.950 -0.040 0.000 2.605 355 F HA 0.620 5.147 4.527 0.000 0.000 0.320 355 F C 0.301 176.064 175.800 -0.062 0.000 1.159 355 F CA -0.575 57.394 58.000 -0.052 0.000 0.999 355 F CB 3.033 41.999 39.000 -0.058 0.000 1.258 355 F HN 0.819 nan 8.300 nan 0.000 0.464 356 G N 0.861 109.707 108.800 0.077 0.000 3.627 356 G HA2 0.444 4.404 3.960 0.000 0.000 0.295 356 G HA3 0.444 4.404 3.960 0.000 0.000 0.295 356 G C 0.004 174.869 174.900 -0.058 0.000 2.784 356 G CA -0.014 45.087 45.100 0.003 0.000 0.644 356 G HN 0.702 nan 8.290 nan 0.000 0.341 357 T N 0.508 114.926 114.554 -0.225 0.000 8.466 357 T HA -0.259 4.091 4.350 0.000 0.000 0.319 357 T C 1.447 175.970 174.700 -0.294 0.000 2.022 357 T CA 1.590 63.245 62.100 -0.741 0.000 3.147 357 T CB -1.131 67.213 68.868 -0.872 0.000 2.153 357 T HN 0.581 nan 8.240 nan 0.000 1.109 358 D N 0.698 121.047 120.400 -0.086 0.000 3.249 358 D HA -0.206 4.434 4.640 0.000 0.000 0.202 358 D C 0.911 177.372 176.300 0.268 0.000 1.143 358 D CA 1.729 55.803 54.000 0.123 0.000 0.989 358 D CB -0.687 40.158 40.800 0.076 0.000 0.843 358 D HN 0.800 nan 8.370 nan 0.000 0.492 359 F N -2.243 117.737 119.950 0.050 0.000 3.074 359 F HA -0.371 4.156 4.527 0.000 0.000 0.287 359 F C 1.598 177.418 175.800 0.032 0.000 0.932 359 F CA 0.821 58.840 58.000 0.032 0.000 0.995 359 F CB -2.121 36.888 39.000 0.015 0.000 0.966 359 F HN -0.006 nan 8.300 nan 0.000 0.721 360 M N -3.314 116.373 119.600 0.146 0.000 2.922 360 M HA -0.381 4.099 4.480 0.000 0.000 0.186 360 M C 1.432 177.798 176.300 0.110 0.000 0.636 360 M CA 1.377 56.746 55.300 0.116 0.000 0.710 360 M CB -1.622 31.039 32.600 0.102 0.000 2.555 360 M HN 0.823 nan 8.290 nan 0.000 0.278 361 S N 0.391 116.156 115.700 0.109 0.000 3.041 361 S HA -0.286 4.184 4.470 0.000 0.000 0.387 361 S C 0.560 175.195 174.600 0.059 0.000 1.121 361 S CA 2.097 60.345 58.200 0.080 0.000 1.044 361 S CB -1.300 61.953 63.200 0.090 0.000 0.891 361 S HN 0.749 nan 8.310 nan 0.000 0.570 362 K N 0.923 121.368 120.400 0.076 0.000 2.031 362 K HA 0.215 4.535 4.320 0.000 0.000 0.205 362 K C 1.320 177.948 176.600 0.047 0.000 1.049 362 K CA 1.137 57.468 56.287 0.074 0.000 0.939 362 K CB -0.229 32.318 32.500 0.078 0.000 0.717 362 K HN 0.647 nan 8.250 nan 0.000 0.438 363 G N -0.061 108.764 108.800 0.042 0.000 2.695 363 G HA2 0.423 4.383 3.960 0.000 0.000 0.290 363 G HA3 0.423 4.383 3.960 0.000 0.000 0.290 363 G C -1.638 173.278 174.900 0.027 0.000 1.410 363 G CA -0.686 44.436 45.100 0.037 0.000 0.844 363 G HN -0.013 nan 8.290 nan 0.000 0.478 364 N N -0.668 118.045 118.700 0.022 0.000 2.367 364 N HA 0.228 4.968 4.740 0.000 0.000 0.278 364 N C 0.398 175.912 175.510 0.006 0.000 1.117 364 N CA -0.602 52.458 53.050 0.016 0.000 0.867 364 N CB 2.807 41.292 38.487 -0.004 0.000 1.649 364 N HN 0.662 nan 8.380 nan 0.000 0.479 365 E N 1.202 121.422 120.200 0.033 0.000 2.005 365 E HA -0.005 4.345 4.350 0.000 0.000 0.191 365 E C -0.617 175.806 176.600 -0.295 0.000 0.987 365 E CA 0.811 57.186 56.400 -0.042 0.000 0.814 365 E CB 0.099 29.981 29.700 0.303 0.000 0.772 365 E HN 0.501 nan 8.360 nan 0.000 0.453 366 Q N -1.290 118.411 119.800 -0.164 0.000 3.213 366 Q HA -0.099 4.241 4.340 0.000 0.000 0.052 366 Q C -0.304 175.574 176.000 -0.204 0.000 1.671 366 Q CA 0.227 55.872 55.803 -0.264 0.000 0.325 366 Q CB -0.464 27.889 28.738 -0.641 0.000 0.611 366 Q HN 0.239 nan 8.270 nan 0.000 0.332 367 E N 0.176 120.295 120.200 -0.136 0.000 2.340 367 E HA 0.010 4.360 4.350 0.000 0.000 0.194 367 E C 1.049 177.563 176.600 -0.142 0.000 0.996 367 E CA 0.786 57.117 56.400 -0.115 0.000 0.869 367 E CB 0.270 29.929 29.700 -0.069 0.000 0.835 367 E HN 0.484 nan 8.360 nan 0.000 0.493 368 S N 0.925 116.530 115.700 -0.159 0.000 2.382 368 S HA -0.105 4.365 4.470 0.000 0.000 0.228 368 S C 1.853 176.334 174.600 -0.198 0.000 1.027 368 S CA 0.945 59.052 58.200 -0.155 0.000 0.991 368 S CB 0.009 63.134 63.200 -0.125 0.000 0.823 368 S HN 0.212 nan 8.310 nan 0.000 0.469 369 M N 0.995 120.420 119.600 -0.291 0.000 2.288 369 M HA 0.185 4.665 4.480 0.000 0.000 0.266 369 M C 2.397 178.568 176.300 -0.215 0.000 1.072 369 M CA 0.765 55.891 55.300 -0.290 0.000 1.132 369 M CB -1.643 30.685 32.600 -0.453 0.000 1.386 369 M HN 0.344 nan 8.290 nan 0.000 0.432 370 A N 0.323 123.026 122.820 -0.194 0.000 2.019 370 A HA -0.147 4.173 4.320 0.000 0.000 0.219 370 A C 2.353 179.863 177.584 -0.123 0.000 1.164 370 A CA 1.284 53.238 52.037 -0.138 0.000 0.644 370 A CB -0.490 18.442 19.000 -0.114 0.000 0.805 370 A HN 0.450 nan 8.150 nan 0.000 0.449 371 R N -0.507 119.911 120.500 -0.136 0.000 2.062 371 R HA 0.054 4.394 4.340 0.000 0.000 0.229 371 R C 1.998 178.200 176.300 -0.163 0.000 1.128 371 R CA 1.330 57.349 56.100 -0.135 0.000 0.960 371 R CB -0.497 29.722 30.300 -0.136 0.000 0.855 371 R HN 0.468 nan 8.270 nan 0.000 0.432 372 L N 1.032 122.144 121.223 -0.185 0.000 2.079 372 L HA -0.205 4.135 4.340 0.000 0.000 0.210 372 L C 2.653 179.431 176.870 -0.152 0.000 1.081 372 L CA 1.419 56.130 54.840 -0.214 0.000 0.752 372 L CB -0.471 41.481 42.059 -0.179 0.000 0.896 372 L HN 0.225 nan 8.230 nan 0.000 0.433 373 K N 0.781 121.104 120.400 -0.128 0.000 2.097 373 K HA -0.228 4.092 4.320 0.000 0.000 0.205 373 K C 2.221 178.783 176.600 -0.064 0.000 1.050 373 K CA 1.368 57.598 56.287 -0.095 0.000 0.938 373 K CB 0.065 32.510 32.500 -0.092 0.000 0.718 373 K HN 0.120 nan 8.250 nan 0.000 0.442 374 K N 0.613 120.970 120.400 -0.071 0.000 2.155 374 K HA -0.044 4.276 4.320 0.000 0.000 0.203 374 K C 2.009 178.591 176.600 -0.030 0.000 1.052 374 K CA 0.717 56.975 56.287 -0.048 0.000 0.948 374 K CB 0.081 32.548 32.500 -0.056 0.000 0.728 374 K HN 0.152 nan 8.250 nan 0.000 0.448 375 L N 0.281 121.472 121.223 -0.053 0.000 2.156 375 L HA -0.115 4.225 4.340 0.000 0.000 0.208 375 L C 2.436 179.373 176.870 0.111 0.000 1.095 375 L CA 0.874 55.715 54.840 0.001 0.000 0.770 375 L CB -0.233 41.737 42.059 -0.148 0.000 0.914 375 L HN 0.292 nan 8.230 nan 0.000 0.439 376 M N -0.495 119.147 119.600 0.071 0.000 2.175 376 M HA -0.145 4.335 4.480 0.000 0.000 0.264 376 M C 2.424 178.779 176.300 0.091 0.000 1.063 376 M CA 2.139 57.490 55.300 0.085 0.000 1.119 376 M CB -0.469 32.120 32.600 -0.019 0.000 1.377 376 M HN 0.389 nan 8.290 nan 0.000 0.415 377 T N -1.049 113.534 114.554 0.049 0.000 2.915 377 T HA -0.040 4.310 4.350 0.000 0.000 0.269 377 T C 1.567 176.297 174.700 0.050 0.000 1.071 377 T CA 0.893 63.020 62.100 0.045 0.000 1.132 377 T CB -0.617 68.262 68.868 0.019 0.000 0.878 377 T HN 0.349 nan 8.240 nan 0.000 0.479 378 I N 0.605 121.205 120.570 0.050 0.000 2.286 378 I HA -0.003 4.167 4.170 0.000 0.000 0.245 378 I C 2.654 178.803 176.117 0.053 0.000 1.104 378 I CA 1.192 62.516 61.300 0.040 0.000 1.397 378 I CB -0.339 37.677 38.000 0.026 0.000 1.072 378 I HN 0.213 nan 8.210 nan 0.000 0.417 379 M N 0.065 119.717 119.600 0.087 0.000 2.557 379 M HA -0.130 4.350 4.480 0.000 0.000 0.259 379 M C 1.055 177.418 176.300 0.105 0.000 1.086 379 M CA 1.049 56.405 55.300 0.094 0.000 1.096 379 M CB -0.361 32.320 32.600 0.135 0.000 1.424 379 M HN 0.130 nan 8.290 nan 0.000 0.488 380 D N -0.188 120.275 120.400 0.105 0.000 2.312 380 D HA -0.032 4.608 4.640 0.000 0.000 0.211 380 D C 1.674 178.012 176.300 0.062 0.000 0.964 380 D CA 0.906 54.960 54.000 0.091 0.000 0.877 380 D CB 0.128 40.980 40.800 0.085 0.000 0.924 380 D HN 0.151 nan 8.370 nan 0.000 0.515 381 S N -0.362 115.374 115.700 0.060 0.000 2.558 381 S HA 0.155 4.625 4.470 0.000 0.000 0.217 381 S C 1.007 175.649 174.600 0.070 0.000 0.975 381 S CA -0.055 58.178 58.200 0.055 0.000 0.912 381 S CB 0.369 63.599 63.200 0.050 0.000 0.776 381 S HN 0.197 nan 8.310 nan 0.000 0.526 382 M N 2.483 122.131 119.600 0.081 0.000 2.267 382 M HA 0.284 4.764 4.480 0.000 0.000 0.303 382 M C 0.445 176.779 176.300 0.057 0.000 1.164 382 M CA -0.279 55.087 55.300 0.111 0.000 1.060 382 M CB 0.437 33.116 32.600 0.132 0.000 1.455 382 M HN 0.224 nan 8.290 nan 0.000 0.483 383 N N -0.504 118.220 118.700 0.039 0.000 2.525 383 N HA 0.260 5.000 4.740 0.000 0.000 0.288 383 N C -0.624 174.873 175.510 -0.023 0.000 1.242 383 N CA -0.755 52.293 53.050 -0.003 0.000 0.905 383 N CB 1.071 39.547 38.487 -0.018 0.000 1.258 383 N HN 0.452 nan 8.380 nan 0.000 0.551 384 D N 0.050 120.426 120.400 -0.041 0.000 2.158 384 D HA -0.238 4.402 4.640 0.000 0.000 0.197 384 D C 1.717 177.985 176.300 -0.054 0.000 0.995 384 D CA 1.526 55.494 54.000 -0.055 0.000 0.846 384 D CB -0.201 40.564 40.800 -0.058 0.000 0.941 384 D HN 0.674 nan 8.370 nan 0.000 0.456 385 Q N 0.612 120.378 119.800 -0.056 0.000 2.050 385 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 385 Q C 1.783 177.743 176.000 -0.067 0.000 0.980 385 Q CA 1.503 57.267 55.803 -0.065 0.000 0.840 385 Q CB 0.063 28.753 28.738 -0.080 0.000 0.898 385 Q HN 0.310 nan 8.270 nan 0.000 0.424 386 E N 0.228 120.387 120.200 -0.068 0.000 2.106 386 E HA -0.145 4.205 4.350 0.000 0.000 0.192 386 E C 2.101 178.703 176.600 0.003 0.000 0.984 386 E CA 1.100 57.483 56.400 -0.029 0.000 0.806 386 E CB -0.009 29.711 29.700 0.033 0.000 0.750 386 E HN 0.380 nan 8.360 nan 0.000 0.458 387 L N 0.896 122.104 121.223 -0.025 0.000 2.109 387 L HA -0.118 4.222 4.340 0.000 0.000 0.207 387 L C 1.458 178.283 176.870 -0.076 0.000 1.086 387 L CA 0.829 55.631 54.840 -0.064 0.000 0.760 387 L CB -0.005 42.011 42.059 -0.072 0.000 0.910 387 L HN 0.060 nan 8.230 nan 0.000 0.437 388 D N -0.893 119.471 120.400 -0.060 0.000 2.349 388 D HA 0.023 4.663 4.640 0.000 0.000 0.214 388 D C 0.782 177.065 176.300 -0.029 0.000 1.063 388 D CA 0.172 54.142 54.000 -0.049 0.000 0.847 388 D CB 0.494 41.262 40.800 -0.054 0.000 0.933 388 D HN 0.020 nan 8.370 nan 0.000 0.513 389 S N 0.286 115.970 115.700 -0.025 0.000 2.549 389 S HA 0.015 4.485 4.470 0.000 0.000 0.283 389 S C 1.599 176.216 174.600 0.029 0.000 1.320 389 S CA -0.162 58.035 58.200 -0.004 0.000 1.058 389 S CB 1.067 64.264 63.200 -0.005 0.000 0.882 389 S HN 0.055 nan 8.310 nan 0.000 0.498 390 T N 2.651 117.227 114.554 0.038 0.000 2.803 390 T HA -0.101 4.249 4.350 0.000 0.000 0.269 390 T C 0.529 175.298 174.700 0.115 0.000 1.052 390 T CA 1.435 63.572 62.100 0.061 0.000 1.136 390 T CB -0.178 68.716 68.868 0.043 0.000 0.864 390 T HN 0.671 nan 8.240 nan 0.000 0.467 391 D N -0.053 120.420 120.400 0.121 0.000 2.363 391 D HA 0.330 4.970 4.640 0.000 0.000 0.258 391 D C 1.098 177.510 176.300 0.188 0.000 1.259 391 D CA -0.278 53.840 54.000 0.197 0.000 0.921 391 D CB 0.662 41.549 40.800 0.144 0.000 1.201 391 D HN 0.160 nan 8.370 nan 0.000 0.524 392 G N 1.780 110.676 108.800 0.160 0.000 2.448 392 G HA2 -0.197 3.764 3.960 0.000 0.000 0.219 392 G HA3 -0.197 3.764 3.960 0.000 0.000 0.219 392 G C 1.373 176.442 174.900 0.282 0.000 1.127 392 G CA 0.994 46.149 45.100 0.092 0.000 0.766 392 G HN 0.521 nan 8.290 nan 0.000 0.552 393 A N 0.493 123.503 122.820 0.317 0.000 1.969 393 A HA 0.058 4.378 4.320 0.000 0.000 0.218 393 A C 2.179 179.933 177.584 0.283 0.000 1.169 393 A CA 1.934 54.159 52.037 0.314 0.000 0.635 393 A CB -0.323 18.870 19.000 0.322 0.000 0.810 393 A HN 0.392 nan 8.150 nan 0.000 0.445 394 K N -0.076 120.453 120.400 0.215 0.000 2.097 394 K HA -0.060 4.260 4.320 0.000 0.000 0.205 394 K C 1.617 178.276 176.600 0.099 0.000 1.050 394 K CA 1.391 57.761 56.287 0.137 0.000 0.938 394 K CB -0.186 32.373 32.500 0.098 0.000 0.718 394 K HN 0.236 nan 8.250 nan 0.000 0.442 395 V N 1.013 120.971 119.914 0.073 0.000 2.720 395 V HA -0.193 3.927 4.120 0.000 0.000 0.256 395 V C 1.544 177.498 176.094 -0.233 0.000 1.082 395 V CA 1.514 63.747 62.300 -0.113 0.000 1.101 395 V CB -0.532 31.153 31.823 -0.231 0.000 0.693 395 V HN 0.244 nan 8.190 nan 0.000 0.479 396 F N -0.620 119.337 119.950 0.012 0.000 2.714 396 F HA 0.090 4.617 4.527 0.000 0.000 0.294 396 F C 2.367 178.179 175.800 0.020 0.000 1.120 396 F CA 0.601 58.609 58.000 0.014 0.000 1.398 396 F CB -0.206 38.804 39.000 0.016 0.000 1.120 396 F HN -0.008 nan 8.300 nan 0.000 0.589 397 S N 0.064 115.868 115.700 0.173 0.000 2.395 397 S HA -0.079 4.391 4.470 0.000 0.000 0.225 397 S C 1.858 176.495 174.600 0.062 0.000 1.027 397 S CA 0.857 59.124 58.200 0.110 0.000 0.965 397 S CB -0.098 63.160 63.200 0.096 0.000 0.812 397 S HN 0.340 nan 8.310 nan 0.000 0.482 398 K N 0.590 121.010 120.400 0.035 0.000 2.243 398 K HA 0.141 4.462 4.320 0.000 0.000 0.201 398 K C 0.349 176.943 176.600 -0.009 0.000 1.051 398 K CA 0.654 56.945 56.287 0.007 0.000 0.970 398 K CB 0.170 32.664 32.500 -0.009 0.000 0.755 398 K HN 0.200 nan 8.250 nan 0.000 0.465 399 Q N 0.670 120.454 119.800 -0.026 0.000 3.075 399 Q HA 0.147 4.487 4.340 0.000 0.000 0.318 399 Q C -2.251 173.749 176.000 -0.000 0.000 0.907 399 Q CA -1.370 54.408 55.803 -0.040 0.000 0.882 399 Q CB 1.384 30.059 28.738 -0.106 0.000 1.386 399 Q HN 0.082 nan 8.270 nan 0.000 0.408 400 P HA -0.149 nan 4.420 nan 0.000 0.229 400 P C 1.151 178.499 177.300 0.080 0.000 1.150 400 P CA 0.949 64.101 63.100 0.088 0.000 0.765 400 P CB 0.171 31.911 31.700 0.068 0.000 0.783 401 G N 0.785 109.611 108.800 0.043 0.000 2.422 401 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 401 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 401 G C 1.777 176.711 174.900 0.056 0.000 1.140 401 G CA 0.116 45.238 45.100 0.037 0.000 0.775 401 G HN 0.241 nan 8.290 nan 0.000 0.545 402 R N -0.065 120.465 120.500 0.051 0.000 2.105 402 R HA 0.020 4.360 4.340 0.000 0.000 0.239 402 R C 2.465 178.927 176.300 0.269 0.000 1.135 402 R CA 1.006 57.157 56.100 0.083 0.000 0.967 402 R CB -0.391 29.824 30.300 -0.142 0.000 0.861 402 R HN 0.387 nan 8.270 nan 0.000 0.442 403 I N 0.534 121.296 120.570 0.320 0.000 2.226 403 I HA -0.298 3.872 4.170 0.000 0.000 0.245 403 I C 2.569 178.758 176.117 0.120 0.000 1.100 403 I CA 1.252 62.694 61.300 0.237 0.000 1.374 403 I CB -0.244 37.855 38.000 0.166 0.000 1.057 403 I HN 0.149 nan 8.210 nan 0.000 0.413 404 Q N 1.013 120.871 119.800 0.096 0.000 2.084 404 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 404 Q C 2.278 178.311 176.000 0.056 0.000 0.978 404 Q CA 1.652 57.491 55.803 0.060 0.000 0.844 404 Q CB -0.210 28.556 28.738 0.047 0.000 0.898 404 Q HN 0.273 nan 8.270 nan 0.000 0.426 405 R N -0.865 119.676 120.500 0.068 0.000 2.062 405 R HA -0.107 4.233 4.340 0.000 0.000 0.231 405 R C 2.037 178.375 176.300 0.062 0.000 1.136 405 R CA 1.595 57.730 56.100 0.058 0.000 0.948 405 R CB -0.356 29.979 30.300 0.057 0.000 0.845 405 R HN 0.237 nan 8.270 nan 0.000 0.430 406 V N 1.389 121.358 119.914 0.091 0.000 2.324 406 V HA -0.286 3.834 4.120 0.000 0.000 0.250 406 V C 2.543 178.662 176.094 0.041 0.000 1.060 406 V CA 2.071 64.418 62.300 0.077 0.000 1.042 406 V CB -0.841 31.036 31.823 0.091 0.000 0.650 406 V HN 0.565 nan 8.190 nan 0.000 0.450 407 A N -0.491 122.350 122.820 0.034 0.000 1.930 407 A HA -0.200 4.120 4.320 0.000 0.000 0.217 407 A C 2.390 179.986 177.584 0.019 0.000 1.175 407 A CA 1.692 53.741 52.037 0.019 0.000 0.627 407 A CB -0.459 18.551 19.000 0.017 0.000 0.815 407 A HN 0.502 nan 8.150 nan 0.000 0.443 408 R N -1.007 119.507 120.500 0.025 0.000 2.070 408 R HA -0.103 4.237 4.340 0.000 0.000 0.233 408 R C 2.432 178.743 176.300 0.019 0.000 1.137 408 R CA 1.268 57.380 56.100 0.020 0.000 0.945 408 R CB -0.679 29.634 30.300 0.022 0.000 0.845 408 R HN 0.525 nan 8.270 nan 0.000 0.430 409 G N 0.268 109.083 108.800 0.024 0.000 2.432 409 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 409 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 409 G C 1.306 176.218 174.900 0.021 0.000 1.135 409 G CA 1.005 46.118 45.100 0.023 0.000 0.767 409 G HN 0.462 nan 8.290 nan 0.000 0.550 410 S N -0.514 115.198 115.700 0.020 0.000 2.605 410 S HA 0.383 4.853 4.470 0.000 0.000 0.217 410 S C 1.715 176.321 174.600 0.009 0.000 0.958 410 S CA 0.802 59.012 58.200 0.016 0.000 0.919 410 S CB 0.033 63.244 63.200 0.018 0.000 0.780 410 S HN 1.418 nan 8.310 nan 0.000 0.507 411 G N 0.481 109.285 108.800 0.008 0.000 2.225 411 G HA2 -0.231 3.729 3.960 0.000 0.000 0.267 411 G HA3 -0.231 3.729 3.960 0.000 0.000 0.267 411 G C 0.014 174.914 174.900 -0.000 0.000 1.024 411 G CA 0.476 45.578 45.100 0.004 0.000 0.784 411 G HN 0.705 nan 8.290 nan 0.000 0.507 412 V N -0.247 119.668 119.914 0.001 0.000 3.096 412 V HA 0.874 4.995 4.120 0.000 0.000 0.319 412 V C 0.987 177.080 176.094 -0.002 0.000 1.103 412 V CA 0.185 62.483 62.300 -0.004 0.000 1.016 412 V CB 2.006 33.826 31.823 -0.006 0.000 1.090 412 V HN 1.090 nan 8.190 nan 0.000 0.449 413 S N 1.106 116.803 115.700 -0.005 0.000 2.693 413 S HA 0.214 4.684 4.470 0.000 0.000 0.276 413 S C 1.023 175.622 174.600 -0.001 0.000 1.192 413 S CA 0.400 58.598 58.200 -0.002 0.000 0.994 413 S CB 1.402 64.599 63.200 -0.004 0.000 1.012 413 S HN 0.785 nan 8.310 nan 0.000 0.550 414 T N 1.597 116.153 114.554 0.004 0.000 2.720 414 T HA -0.123 4.227 4.350 0.000 0.000 0.268 414 T C 1.908 176.608 174.700 -0.001 0.000 1.037 414 T CA 1.836 63.940 62.100 0.006 0.000 1.144 414 T CB -0.455 68.421 68.868 0.014 0.000 0.864 414 T HN 0.658 nan 8.240 nan 0.000 0.444 415 R N 1.680 122.179 120.500 -0.000 0.000 2.096 415 R HA -0.085 4.255 4.340 0.000 0.000 0.235 415 R C 1.865 178.160 176.300 -0.008 0.000 1.127 415 R CA 1.528 57.627 56.100 -0.002 0.000 0.968 415 R CB -0.893 29.407 30.300 -0.001 0.000 0.861 415 R HN 0.313 nan 8.270 nan 0.000 0.440 416 D N -0.554 119.839 120.400 -0.012 0.000 2.149 416 D HA -0.129 4.511 4.640 0.000 0.000 0.198 416 D C 1.796 178.082 176.300 -0.023 0.000 0.990 416 D CA 1.507 55.497 54.000 -0.016 0.000 0.839 416 D CB -0.029 40.761 40.800 -0.016 0.000 0.948 416 D HN 0.143 nan 8.370 nan 0.000 0.460 417 V N 0.975 120.868 119.914 -0.035 0.000 2.453 417 V HA -0.193 3.927 4.120 0.000 0.000 0.247 417 V C 2.422 178.462 176.094 -0.090 0.000 1.048 417 V CA 1.327 63.583 62.300 -0.074 0.000 1.049 417 V CB -0.424 31.344 31.823 -0.092 0.000 0.672 417 V HN 0.185 nan 8.190 nan 0.000 0.457 418 Q N -0.299 119.471 119.800 -0.050 0.000 2.172 418 Q HA -0.200 4.140 4.340 0.000 0.000 0.200 418 Q C 2.211 178.208 176.000 -0.004 0.000 0.964 418 Q CA 1.380 57.165 55.803 -0.030 0.000 0.855 418 Q CB -0.093 28.644 28.738 -0.003 0.000 0.918 418 Q HN 0.694 nan 8.270 nan 0.000 0.444 419 E N 1.061 121.261 120.200 -0.001 0.000 2.051 419 E HA -0.171 4.179 4.350 0.000 0.000 0.192 419 E C 2.043 178.666 176.600 0.039 0.000 0.991 419 E CA 0.757 57.166 56.400 0.015 0.000 0.799 419 E CB -0.111 29.591 29.700 0.003 0.000 0.748 419 E HN 0.260 nan 8.360 nan 0.000 0.449 420 L N 0.958 122.201 121.223 0.033 0.000 2.042 420 L HA -0.230 4.110 4.340 0.000 0.000 0.210 420 L C 2.221 179.179 176.870 0.146 0.000 1.076 420 L CA 1.227 56.122 54.840 0.093 0.000 0.749 420 L CB -0.115 41.983 42.059 0.064 0.000 0.893 420 L HN 0.190 nan 8.230 nan 0.000 0.432 421 L N -0.471 120.784 121.223 0.052 0.000 2.083 421 L HA -0.205 4.135 4.340 0.000 0.000 0.209 421 L C 2.726 179.704 176.870 0.180 0.000 1.083 421 L CA 1.833 56.726 54.840 0.088 0.000 0.752 421 L CB -0.954 41.079 42.059 -0.043 0.000 0.899 421 L HN 0.520 nan 8.230 nan 0.000 0.433 422 T N -3.505 111.117 114.554 0.114 0.000 2.777 422 T HA -0.215 4.135 4.350 0.000 0.000 0.266 422 T C 1.787 176.558 174.700 0.119 0.000 1.040 422 T CA 0.957 63.115 62.100 0.097 0.000 1.141 422 T CB -0.321 68.582 68.868 0.058 0.000 0.868 422 T HN 0.317 nan 8.240 nan 0.000 0.444 423 Q N -0.015 119.874 119.800 0.148 0.000 2.084 423 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 423 Q C 2.093 178.279 176.000 0.309 0.000 0.978 423 Q CA 1.814 57.728 55.803 0.185 0.000 0.844 423 Q CB -0.464 28.376 28.738 0.169 0.000 0.898 423 Q HN 0.764 nan 8.270 nan 0.000 0.426 424 Y N 1.224 121.678 120.300 0.256 0.000 2.207 424 Y HA -0.234 4.316 4.550 0.000 0.000 0.287 424 Y C 2.091 178.100 175.900 0.182 0.000 1.156 424 Y CA 1.844 60.086 58.100 0.237 0.000 1.182 424 Y CB -0.480 38.040 38.460 0.100 0.000 0.979 424 Y HN -0.032 nan 8.280 nan 0.000 0.521 425 T N 0.823 115.312 114.554 -0.109 0.000 2.708 425 T HA -0.184 4.166 4.350 0.000 0.000 0.266 425 T C 1.703 176.327 174.700 -0.126 0.000 1.037 425 T CA 2.114 64.092 62.100 -0.204 0.000 1.146 425 T CB -0.189 68.673 68.868 -0.009 0.000 0.865 425 T HN 0.349 nan 8.240 nan 0.000 0.435 426 K N 0.246 120.638 120.400 -0.013 0.000 2.097 426 K HA 0.025 4.345 4.320 0.000 0.000 0.205 426 K C 1.994 178.612 176.600 0.030 0.000 1.050 426 K CA 1.019 57.306 56.287 0.000 0.000 0.938 426 K CB -0.310 32.193 32.500 0.005 0.000 0.718 426 K HN 0.312 nan 8.250 nan 0.000 0.442 427 F N 1.289 121.201 119.950 -0.063 0.000 2.084 427 F HA -0.225 4.302 4.527 0.000 0.000 0.296 427 F C 2.349 178.096 175.800 -0.088 0.000 1.111 427 F CA 1.045 59.032 58.000 -0.022 0.000 1.224 427 F CB -0.019 39.039 39.000 0.096 0.000 0.991 427 F HN 0.018 nan 8.300 nan 0.000 0.471 428 A N -0.326 122.520 122.820 0.043 0.000 1.972 428 A HA -0.217 4.103 4.320 0.000 0.000 0.219 428 A C 1.985 179.550 177.584 -0.032 0.000 1.169 428 A CA 1.607 53.588 52.037 -0.092 0.000 0.635 428 A CB -0.740 18.004 19.000 -0.427 0.000 0.810 428 A HN 0.553 nan 8.150 nan 0.000 0.446 429 Q N -0.740 119.036 119.800 -0.040 0.000 1.993 429 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 429 Q C 2.245 178.247 176.000 0.003 0.000 0.984 429 Q CA 1.968 57.757 55.803 -0.023 0.000 0.837 429 Q CB -0.348 28.374 28.738 -0.026 0.000 0.902 429 Q HN 0.742 nan 8.270 nan 0.000 0.423 430 M N 0.025 119.615 119.600 -0.017 0.000 2.151 430 M HA -0.244 4.236 4.480 0.000 0.000 0.256 430 M C 2.210 178.534 176.300 0.040 0.000 1.072 430 M CA 1.377 56.673 55.300 -0.007 0.000 1.090 430 M CB -0.826 31.750 32.600 -0.040 0.000 1.294 430 M HN 0.068 nan 8.290 nan 0.000 0.415 431 V N 0.470 120.448 119.914 0.106 0.000 2.736 431 V HA -0.320 3.800 4.120 0.000 0.000 0.262 431 V C 2.312 178.443 176.094 0.062 0.000 1.114 431 V CA 2.168 64.544 62.300 0.126 0.000 1.133 431 V CB -0.842 31.103 31.823 0.203 0.000 0.703 431 V HN 0.471 nan 8.190 nan 0.000 0.495 432 K N -0.380 120.043 120.400 0.037 0.000 2.286 432 K HA 0.115 4.435 4.320 0.000 0.000 0.203 432 K C 0.345 176.952 176.600 0.012 0.000 1.078 432 K CA -0.154 56.143 56.287 0.016 0.000 0.957 432 K CB 0.292 32.791 32.500 -0.001 0.000 1.018 432 K HN 0.292 nan 8.250 nan 0.000 0.484 433 K N 1.251 121.647 120.400 -0.005 0.000 6.252 433 K HA -0.218 4.102 4.320 0.000 0.000 0.630 433 K C -0.635 175.969 176.600 0.007 0.000 2.448 433 K CA 0.983 57.270 56.287 0.001 0.000 1.821 433 K CB -0.304 32.196 32.500 0.001 0.000 1.885 433 K HN 0.271 nan 8.250 nan 0.000 0.271 434 M N 0.860 120.465 119.600 0.008 0.000 2.602 434 M HA 0.236 4.716 4.480 0.000 0.000 0.312 434 M C 1.471 177.779 176.300 0.014 0.000 1.181 434 M CA -0.323 54.983 55.300 0.010 0.000 0.910 434 M CB 2.043 34.648 32.600 0.007 0.000 1.723 434 M HN 0.775 nan 8.290 nan 0.000 0.459 435 G N 0.227 109.036 108.800 0.015 0.000 2.572 435 G HA2 0.414 4.374 3.960 0.000 0.000 0.216 435 G HA3 0.414 4.374 3.960 0.000 0.000 0.216 435 G C 0.651 175.560 174.900 0.015 0.000 1.133 435 G CA 0.652 45.760 45.100 0.014 0.000 0.791 435 G HN 1.083 nan 8.290 nan 0.000 0.538 436 G N -1.165 107.647 108.800 0.020 0.000 2.445 436 G HA2 0.287 4.247 3.960 0.000 0.000 0.212 436 G HA3 0.287 4.247 3.960 0.000 0.000 0.212 436 G C 0.140 175.055 174.900 0.025 0.000 1.217 436 G CA 0.034 45.147 45.100 0.021 0.000 1.002 436 G HN 1.239 nan 8.290 nan 0.000 0.574 437 I N -0.731 119.851 120.570 0.021 0.000 2.448 437 I HA 0.980 5.150 4.170 0.000 0.000 0.284 437 I C 1.021 177.156 176.117 0.030 0.000 1.135 437 I CA 1.133 62.451 61.300 0.030 0.000 1.207 437 I CB -1.001 nan 38.000 nan 0.000 1.548 437 I HN 2.219 nan 8.210 nan 0.000 0.543 438 K N 0.948 121.364 120.400 0.026 0.000 2.803 438 K HA 0.379 4.699 4.320 0.000 0.000 0.166 438 K C 1.923 178.536 176.600 0.021 0.000 1.975 438 K CA 0.715 57.017 56.287 0.024 0.000 1.390 438 K CB -0.807 nan 32.500 nan 0.000 2.217 438 K HN 1.489 nan 8.250 nan 0.000 0.591 439 G N 1.234 110.046 108.800 0.020 0.000 2.421 439 G HA2 0.290 4.250 3.960 0.000 0.000 0.217 439 G HA3 0.290 4.250 3.960 0.000 0.000 0.217 439 G C 1.908 176.821 174.900 0.022 0.000 1.143 439 G CA 2.150 47.261 45.100 0.018 0.000 0.784 439 G HN 1.208 nan 8.290 nan 0.000 0.541 440 L N -0.264 120.976 121.223 0.027 0.000 2.109 440 L HA 0.406 4.746 4.340 0.000 0.000 0.207 440 L C 3.052 179.940 176.870 0.030 0.000 1.086 440 L CA 2.410 57.268 54.840 0.031 0.000 0.760 440 L CB -1.902 nan 42.059 nan 0.000 0.910 440 L HN 0.447 nan 8.230 nan 0.000 0.437 441 F N 0.320 120.287 119.950 0.029 0.000 2.146 441 F HA 0.123 4.650 4.527 0.000 0.000 0.298 441 F C 2.668 178.480 175.800 0.021 0.000 1.096 441 F CA 3.449 61.464 58.000 0.026 0.000 1.275 441 F CB -1.395 nan 39.000 nan 0.000 1.008 441 F HN 0.635 nan 8.300 nan 0.000 0.480 442 K N -0.104 120.307 120.400 0.018 0.000 1.986 442 K HA 0.225 4.545 4.320 0.000 0.000 0.216 442 K C 2.799 179.408 176.600 0.015 0.000 1.012 442 K CA 1.337 57.632 56.287 0.014 0.000 1.025 442 K CB -1.886 nan 32.500 nan 0.000 0.975 442 K HN 1.542 nan 8.250 nan 0.000 0.453 443 G N 0.127 108.935 108.800 0.014 0.000 3.081 443 G HA2 -0.358 3.602 3.960 0.000 0.000 0.282 443 G HA3 -0.358 3.602 3.960 0.000 0.000 0.282 443 G C 1.925 176.836 174.900 0.019 0.000 1.102 443 G CA 2.489 47.598 45.100 0.016 0.000 0.851 443 G HN 1.366 nan 8.290 nan 0.000 0.691 444 G N -0.339 108.474 108.800 0.022 0.000 2.408 444 G HA2 0.225 4.185 3.960 0.000 0.000 0.215 444 G HA3 0.225 4.185 3.960 0.000 0.000 0.215 444 G C 1.425 176.340 174.900 0.025 0.000 1.156 444 G CA 1.668 46.785 45.100 0.027 0.000 0.793 444 G HN 0.787 nan 8.290 nan 0.000 0.535 445 D N -0.362 120.045 120.400 0.012 0.000 2.333 445 D HA 0.358 4.998 4.640 0.000 0.000 0.208 445 D C 2.315 178.621 176.300 0.009 0.000 0.984 445 D CA 1.253 55.259 54.000 0.009 0.000 0.873 445 D CB -0.473 nan 40.800 nan 0.000 0.935 445 D HN 0.475 nan 8.370 nan 0.000 0.521 446 M N -0.777 118.828 119.600 0.009 0.000 2.618 446 M HA 0.617 5.097 4.480 0.000 0.000 0.240 446 M C 1.347 177.655 176.300 0.012 0.000 1.123 446 M CA 1.261 56.566 55.300 0.008 0.000 1.060 446 M CB -1.152 nan 32.600 nan 0.000 1.535 446 M HN 0.899 nan 8.290 nan 0.000 0.507 447 S N -2.391 113.319 115.700 0.016 0.000 2.615 447 S HA 0.936 5.406 4.470 0.000 0.000 0.269 447 S C 0.439 175.054 174.600 0.025 0.000 1.161 447 S CA 0.595 58.807 58.200 0.019 0.000 0.817 447 S CB 0.683 nan 63.200 nan 0.000 1.131 447 S HN 1.662 nan 8.310 nan 0.000 0.467 448 K N -1.329 119.087 120.400 0.027 0.000 7.069 448 K HA 0.198 4.518 4.320 0.000 0.000 0.273 448 K C 1.743 178.363 176.600 0.034 0.000 1.518 448 K CA 1.758 58.063 56.287 0.031 0.000 1.274 448 K CB -2.235 nan 32.500 nan 0.000 0.824 448 K HN 2.004 nan 8.250 nan 0.000 0.420 449 N N 0.915 119.643 118.700 0.047 0.000 2.158 449 N HA 0.478 5.218 4.740 0.000 0.000 0.190 449 N C 2.709 178.240 175.510 0.035 0.000 1.060 449 N CA 3.002 56.079 53.050 0.045 0.000 0.872 449 N CB -1.201 nan 38.487 nan 0.000 1.055 449 N HN 1.762 nan 8.380 nan 0.000 0.452 450 V N -0.148 119.787 119.914 0.034 0.000 2.708 450 V HA -0.028 4.092 4.120 0.000 0.000 0.264 450 V C 2.463 178.569 176.094 0.020 0.000 1.124 450 V CA 3.558 65.873 62.300 0.024 0.000 1.138 450 V CB -1.622 nan 31.823 nan 0.000 0.706 450 V HN 0.905 nan 8.190 nan 0.000 0.493 451 S N -1.559 114.154 115.700 0.022 0.000 2.556 451 S HA 0.413 4.883 4.470 0.000 0.000 0.216 451 S C 1.840 176.450 174.600 0.017 0.000 0.970 451 S CA 1.273 59.484 58.200 0.018 0.000 0.912 451 S CB -0.009 nan 63.200 nan 0.000 0.790 451 S HN 1.066 nan 8.310 nan 0.000 0.504 452 Q N -0.456 119.355 119.800 0.018 0.000 2.391 452 Q HA 0.587 4.927 4.340 0.000 0.000 0.243 452 Q C 2.329 178.340 176.000 0.018 0.000 0.874 452 Q CA 1.244 57.057 55.803 0.017 0.000 0.950 452 Q CB -1.254 nan 28.738 nan 0.000 1.103 452 Q HN 0.742 nan 8.270 nan 0.000 0.544 453 S N 0.821 116.533 115.700 0.021 0.000 2.335 453 S HA -0.016 4.454 4.470 0.000 0.000 0.216 453 S C 2.477 177.086 174.600 0.016 0.000 1.032 453 S CA 3.192 61.404 58.200 0.020 0.000 1.000 453 S CB -0.951 nan 63.200 nan 0.000 0.928 453 S HN 1.020 nan 8.310 nan 0.000 0.434 454 Q N -0.527 119.282 119.800 0.015 0.000 2.066 454 Q HA -0.280 4.061 4.340 0.000 0.000 0.216 454 Q C 2.732 178.739 176.000 0.011 0.000 1.035 454 Q CA 4.453 60.263 55.803 0.012 0.000 0.897 454 Q CB -1.991 nan 28.738 nan 0.000 1.010 454 Q HN 1.454 nan 8.270 nan 0.000 0.416 455 M N 0.205 119.811 119.600 0.011 0.000 2.149 455 M HA 0.324 4.804 4.480 0.000 0.000 0.261 455 M C 2.716 179.022 176.300 0.011 0.000 1.064 455 M CA 3.012 58.319 55.300 0.010 0.000 1.102 455 M CB -1.878 nan 32.600 nan 0.000 1.369 455 M HN 1.262 nan 8.290 nan 0.000 0.408 456 A N 0.630 123.457 122.820 0.012 0.000 1.877 456 A HA 0.039 4.359 4.320 0.000 0.000 0.216 456 A C 2.566 180.156 177.584 0.011 0.000 1.186 456 A CA 3.407 55.451 52.037 0.013 0.000 0.620 456 A CB -1.226 nan 19.000 nan 0.000 0.822 456 A HN 0.920 nan 8.150 nan 0.000 0.443 457 K N -0.993 119.414 120.400 0.010 0.000 2.057 457 K HA 0.203 4.523 4.320 0.000 0.000 0.206 457 K C 2.361 178.965 176.600 0.007 0.000 1.050 457 K CA 2.046 58.338 56.287 0.008 0.000 0.935 457 K CB -1.931 nan 32.500 nan 0.000 0.715 457 K HN 1.122 nan 8.250 nan 0.000 0.439 458 L N -0.284 120.944 121.223 0.007 0.000 2.156 458 L HA 0.250 4.590 4.340 0.000 0.000 0.208 458 L C 1.782 178.655 176.870 0.006 0.000 1.095 458 L CA 2.077 56.920 54.840 0.006 0.000 0.770 458 L CB -1.905 nan 42.059 nan 0.000 0.914 458 L HN 0.920 nan 8.230 nan 0.000 0.439 459 N N -1.184 117.521 118.700 0.007 0.000 2.725 459 N HA 0.543 5.283 4.740 0.000 0.000 0.248 459 N C 0.665 176.180 175.510 0.008 0.000 1.402 459 N CA 0.923 53.977 53.050 0.007 0.000 0.766 459 N CB -0.002 nan 38.487 nan 0.000 1.223 459 N HN 0.981 nan 8.380 nan 0.000 0.515 460 Q N -0.084 119.721 119.800 0.007 0.000 1.615 460 Q HA 0.366 4.707 4.340 0.000 0.000 0.457 460 Q C 1.763 177.768 176.000 0.008 0.000 0.949 460 Q CA 2.117 57.925 55.803 0.008 0.000 0.901 460 Q CB -1.555 nan 28.738 nan 0.000 0.929 460 Q HN 1.941 nan 8.270 nan 0.000 0.395 461 Q N -2.401 117.403 119.800 0.006 0.000 2.437 461 Q HA 0.376 4.716 4.340 0.000 0.000 0.363 461 Q C 1.464 177.468 176.000 0.005 0.000 1.206 461 Q CA 2.936 58.742 55.803 0.005 0.000 1.070 461 Q CB -1.454 nan 28.738 nan 0.000 1.208 461 Q HN 2.482 nan 8.270 nan 0.000 0.423 462 M N -2.111 117.492 119.600 0.005 0.000 2.912 462 M HA 0.023 4.503 4.480 0.000 0.000 0.183 462 M C 1.124 177.428 176.300 0.006 0.000 0.641 462 M CA 2.142 57.446 55.300 0.005 0.000 0.699 462 M CB -2.595 nan 32.600 nan 0.000 2.519 462 M HN 2.733 nan 8.290 nan 0.000 0.278 463 A N 1.663 124.487 122.820 0.007 0.000 2.388 463 A HA 0.782 5.102 4.320 0.000 0.000 0.257 463 A C 0.691 178.280 177.584 0.008 0.000 1.095 463 A CA 1.132 53.174 52.037 0.007 0.000 0.791 463 A CB -0.012 nan 19.000 nan 0.000 1.029 463 A HN 2.442 nan 8.150 nan 0.000 0.489 464 K N 0.280 120.686 120.400 0.010 0.000 2.273 464 K HA 0.559 4.879 4.320 0.000 0.000 0.240 464 K C 1.575 178.182 176.600 0.013 0.000 1.056 464 K CA 0.832 57.126 56.287 0.012 0.000 0.910 464 K CB -0.667 nan 32.500 nan 0.000 1.196 464 K HN 1.790 nan 8.250 nan 0.000 0.509 465 M N -0.329 119.280 119.600 0.015 0.000 2.175 465 M HA 0.101 4.581 4.480 0.000 0.000 0.264 465 M C 2.940 179.250 176.300 0.018 0.000 1.063 465 M CA 3.686 58.996 55.300 0.016 0.000 1.119 465 M CB -1.873 nan 32.600 nan 0.000 1.377 465 M HN 1.276 nan 8.290 nan 0.000 0.415 466 M N 1.121 120.732 119.600 0.018 0.000 2.149 466 M HA -0.038 4.442 4.480 0.000 0.000 0.261 466 M C 2.007 178.315 176.300 0.013 0.000 1.064 466 M CA 3.312 58.622 55.300 0.016 0.000 1.102 466 M CB -2.829 nan 32.600 nan 0.000 1.369 466 M HN 0.897 nan 8.290 nan 0.000 0.408 467 D N -0.332 120.075 120.400 0.012 0.000 2.149 467 D HA 0.181 4.821 4.640 0.000 0.000 0.201 467 D C 0.770 177.077 176.300 0.011 0.000 0.972 467 D CA 2.007 56.013 54.000 0.010 0.000 0.835 467 D CB -2.119 nan 40.800 nan 0.000 0.966 467 D HN 0.564 nan 8.370 nan 0.000 0.476 468 P HA 0.048 nan 4.420 nan 0.000 0.218 468 P C 2.024 179.334 177.300 0.016 0.000 1.152 468 P CA 2.948 66.056 63.100 0.013 0.000 0.826 468 P CB -0.400 nan 31.700 nan 0.000 0.790 469 R N -0.722 119.789 120.500 0.018 0.000 2.096 469 R HA 0.137 4.477 4.340 0.000 0.000 0.235 469 R C 2.571 178.883 176.300 0.020 0.000 1.127 469 R CA 2.190 58.303 56.100 0.022 0.000 0.968 469 R CB -2.082 nan 30.300 nan 0.000 0.861 469 R HN 0.373 nan 8.270 nan 0.000 0.440 470 V N 0.532 120.456 119.914 0.016 0.000 2.255 470 V HA 0.021 4.141 4.120 0.000 0.000 0.247 470 V C 3.119 179.221 176.094 0.013 0.000 1.051 470 V CA 3.599 65.907 62.300 0.013 0.000 1.018 470 V CB -1.212 nan 31.823 nan 0.000 0.641 470 V HN 0.734 nan 8.190 nan 0.000 0.445 471 L N -0.137 121.094 121.223 0.013 0.000 2.046 471 L HA -0.109 4.231 4.340 0.000 0.000 0.208 471 L C 2.777 179.656 176.870 0.014 0.000 1.077 471 L CA 3.784 58.631 54.840 0.012 0.000 0.747 471 L CB -2.478 nan 42.059 nan 0.000 0.896 471 L HN 0.981 nan 8.230 nan 0.000 0.432 472 H N -1.447 117.633 119.070 0.017 0.000 2.421 472 H HA -0.099 4.457 4.556 0.000 0.000 0.298 472 H C 2.339 177.679 175.328 0.019 0.000 1.087 472 H CA 3.064 59.124 56.048 0.020 0.000 1.330 472 H CB -1.470 nan 29.762 nan 0.000 1.388 472 H HN 1.079 nan 8.280 nan 0.000 0.526 473 H N -1.663 117.418 119.070 0.019 0.000 2.389 473 H HA 0.141 4.697 4.556 0.000 0.000 0.299 473 H C 2.913 178.249 175.328 0.013 0.000 1.081 473 H CA 3.173 59.232 56.048 0.018 0.000 1.345 473 H CB -1.070 nan 29.762 nan 0.000 1.393 473 H HN 0.939 nan 8.280 nan 0.000 0.520 474 M N 1.290 120.897 119.600 0.012 0.000 2.159 474 M HA 0.184 4.664 4.480 0.000 0.000 0.263 474 M C 2.937 179.243 176.300 0.008 0.000 1.063 474 M CA 2.270 57.575 55.300 0.009 0.000 1.110 474 M CB -1.479 nan 32.600 nan 0.000 1.374 474 M HN 0.768 nan 8.290 nan 0.000 0.411 475 G N -0.301 108.504 108.800 0.009 0.000 2.572 475 G HA2 0.399 4.359 3.960 0.000 0.000 0.214 475 G HA3 0.399 4.359 3.960 0.000 0.000 0.214 475 G C 1.351 176.253 174.900 0.003 0.000 1.246 475 G CA 0.926 46.031 45.100 0.008 0.000 0.835 475 G HN 1.971 nan 8.290 nan 0.000 0.551 476 G N -2.492 106.298 108.800 -0.015 0.000 3.318 476 G HA2 0.265 4.225 3.960 0.000 0.000 0.678 476 G HA3 0.265 4.225 3.960 0.000 0.000 0.678 476 G C 0.905 175.804 174.900 -0.002 0.000 1.615 476 G CA 1.699 46.796 45.100 -0.005 0.000 1.235 476 G HN 2.326 nan 8.290 nan 0.000 0.601 477 M N 0.284 119.884 119.600 0.001 0.000 2.903 477 M HA 0.164 4.644 4.480 0.000 0.000 0.180 477 M C 2.674 178.977 176.300 0.006 0.000 0.647 477 M CA 2.558 57.860 55.300 0.004 0.000 0.688 477 M CB -2.187 nan 32.600 nan 0.000 2.482 477 M HN 2.878 nan 8.290 nan 0.000 0.275 478 A N 1.277 124.101 122.820 0.006 0.000 1.883 478 A HA 0.472 4.792 4.320 0.000 0.000 0.249 478 A C 2.058 179.652 177.584 0.016 0.000 1.210 478 A CA 1.924 53.970 52.037 0.015 0.000 0.796 478 A CB -1.982 nan 19.000 nan 0.000 1.072 478 A HN 3.322 nan 8.150 nan 0.000 0.331 479 G N -3.382 105.425 108.800 0.011 0.000 2.756 479 G HA2 0.441 4.401 3.960 0.000 0.000 0.151 479 G HA3 0.441 4.401 3.960 0.000 0.000 0.151 479 G C -0.368 174.535 174.900 0.006 0.000 1.071 479 G CA -0.007 45.098 45.100 0.009 0.000 0.881 479 G HN 2.237 nan 8.290 nan 0.000 0.517 480 L N -1.969 119.258 121.223 0.007 0.000 2.448 480 L HA 1.025 5.365 4.340 0.000 0.000 0.257 480 L C 0.433 177.307 176.870 0.007 0.000 1.504 480 L CA 1.046 55.890 54.840 0.006 0.000 0.852 480 L CB -0.073 nan 42.059 nan 0.000 1.051 480 L HN 1.590 nan 8.230 nan 0.000 0.518 481 Q N -0.674 119.131 119.800 0.008 0.000 2.445 481 Q HA 0.429 4.769 4.340 0.000 0.000 0.257 481 Q C 2.291 178.295 176.000 0.007 0.000 0.806 481 Q CA 1.772 57.580 55.803 0.008 0.000 0.987 481 Q CB -0.067 nan 28.738 nan 0.000 1.248 481 Q HN 1.888 nan 8.270 nan 0.000 0.542 482 S N 0.651 116.355 115.700 0.007 0.000 2.382 482 S HA 0.096 4.566 4.470 0.000 0.000 0.228 482 S C 2.447 177.049 174.600 0.004 0.000 1.027 482 S CA 3.618 61.821 58.200 0.005 0.000 0.991 482 S CB -0.774 nan 63.200 nan 0.000 0.823 482 S HN 1.259 nan 8.310 nan 0.000 0.469 483 M N 0.404 120.007 119.600 0.004 0.000 2.086 483 M HA 0.259 4.739 4.480 0.000 0.000 0.261 483 M C 2.971 179.273 176.300 0.003 0.000 1.067 483 M CA 3.114 58.416 55.300 0.003 0.000 1.116 483 M CB -2.211 nan 32.600 nan 0.000 1.348 483 M HN 0.859 nan 8.290 nan 0.000 0.407 484 M N 0.606 120.209 119.600 0.004 0.000 2.132 484 M HA 0.141 4.621 4.480 0.000 0.000 0.263 484 M C 2.512 178.814 176.300 0.004 0.000 1.065 484 M CA 3.406 58.709 55.300 0.004 0.000 1.122 484 M CB -2.445 nan 32.600 nan 0.000 1.365 484 M HN 0.914 nan 8.290 nan 0.000 0.411 485 R N 0.249 120.752 120.500 0.004 0.000 2.115 485 R HA 0.157 4.497 4.340 0.000 0.000 0.226 485 R C 2.234 178.536 176.300 0.003 0.000 1.100 485 R CA 2.427 58.530 56.100 0.004 0.000 0.980 485 R CB -2.014 nan 30.300 nan 0.000 0.875 485 R HN 1.003 nan 8.270 nan 0.000 0.445 486 Q N -1.044 118.757 119.800 0.003 0.000 2.119 486 Q HA 0.039 4.379 4.340 0.000 0.000 0.201 486 Q C 2.673 178.674 176.000 0.002 0.000 0.972 486 Q CA 2.409 58.214 55.803 0.002 0.000 0.847 486 Q CB -1.576 nan 28.738 nan 0.000 0.903 486 Q HN 1.156 nan 8.270 nan 0.000 0.433 487 F N 0.787 120.738 119.950 0.002 0.000 2.091 487 F HA 0.182 4.709 4.527 0.000 0.000 0.299 487 F C 2.132 177.933 175.800 0.002 0.000 1.103 487 F CA 2.462 60.464 58.000 0.002 0.000 1.228 487 F CB -1.469 nan 39.000 nan 0.000 0.984 487 F HN 0.838 nan 8.300 nan 0.000 0.477 488 Q N 0.000 119.801 119.800 0.002 0.000 2.315 488 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 488 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 488 Q CB 0.000 nan 28.738 nan 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481