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 2hlb_1_A DATA FIRST_RESID 9 DATA SEQUENCE DKAAVERSKM IDRNLREDGE KAAREVKLLL LGAVESGKST IVKQMKIIHE DATA SEQUENCE AGYSEEECKQ YKAVVYSNTI QSIIAIIRAM GRLKIDFGDS ARADDARQLF DATA SEQUENCE VLAGAAEEGF MTAELAGVIK RLWKDSGVQA CFNRSREYQL NDSAAYYLND DATA SEQUENCE LDRIAQPNYI PTQQDVLRTR VKTTGIVETH FTFKDLHFKM FDVGGQRSER DATA SEQUENCE KKWIHCFEGV TAIIFCVALS DYDLVLAEXX XMNRMHESMK LFDSICNNKW DATA SEQUENCE FTDTSIILFL NKKDLFEEKI KKSPLTICYP EYAGSNTYEE AAAYIQCQFE DATA SEQUENCE DLNKRKDTKE IYTHFTCATD TKNVQFVFDA VTDVIIKNNL KDCGLF 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.300 176.300 0.000 0.000 2.045 9 D CA 0.000 54.002 54.000 0.004 0.000 0.868 9 D CB 0.000 40.801 40.800 0.002 0.000 0.688 10 K N 1.721 122.121 120.400 0.002 0.000 2.211 10 K HA 0.218 4.539 4.320 0.002 0.000 0.201 10 K C 1.872 178.469 176.600 -0.005 0.000 1.052 10 K CA 0.787 57.075 56.287 0.002 0.000 0.973 10 K CB 0.089 32.593 32.500 0.007 0.000 0.766 10 K HN 0.435 nan 8.250 nan 0.000 0.466 11 A N 1.732 124.546 122.820 -0.010 0.000 1.865 11 A HA -0.196 4.125 4.320 0.002 0.000 0.217 11 A C 2.351 179.922 177.584 -0.022 0.000 1.191 11 A CA 2.072 54.096 52.037 -0.020 0.000 0.623 11 A CB -0.856 18.127 19.000 -0.029 0.000 0.826 11 A HN 0.331 nan 8.150 nan 0.000 0.444 12 A N -0.493 122.314 122.820 -0.020 0.000 1.884 12 A HA -0.136 4.185 4.320 0.002 0.000 0.219 12 A C 2.245 179.820 177.584 -0.015 0.000 1.197 12 A CA 2.271 54.297 52.037 -0.019 0.000 0.637 12 A CB -1.291 17.699 19.000 -0.016 0.000 0.827 12 A HN 0.558 nan 8.150 nan 0.000 0.450 13 V N 0.240 120.149 119.914 -0.010 0.000 2.324 13 V HA -0.276 3.845 4.120 0.002 0.000 0.250 13 V C 2.592 178.681 176.094 -0.008 0.000 1.060 13 V CA 2.296 64.592 62.300 -0.007 0.000 1.042 13 V CB -0.794 31.027 31.823 -0.003 0.000 0.650 13 V HN 0.549 nan 8.190 nan 0.000 0.450 14 E N -0.231 119.963 120.200 -0.010 0.000 2.072 14 E HA -0.169 4.182 4.350 0.002 0.000 0.191 14 E C 2.444 179.035 176.600 -0.014 0.000 0.985 14 E CA 0.769 57.163 56.400 -0.011 0.000 0.801 14 E CB -0.308 29.386 29.700 -0.010 0.000 0.750 14 E HN 0.468 nan 8.360 nan 0.000 0.452 15 R N 0.545 121.034 120.500 -0.019 0.000 2.103 15 R HA -0.103 4.238 4.340 0.002 0.000 0.242 15 R C 2.336 178.625 176.300 -0.018 0.000 1.142 15 R CA 1.407 57.494 56.100 -0.022 0.000 0.960 15 R CB -0.277 30.007 30.300 -0.027 0.000 0.858 15 R HN 0.038 nan 8.270 nan 0.000 0.439 16 S N 0.551 116.242 115.700 -0.015 0.000 2.474 16 S HA -0.064 4.407 4.470 0.002 0.000 0.235 16 S C 1.465 176.058 174.600 -0.011 0.000 0.997 16 S CA 1.004 59.197 58.200 -0.012 0.000 0.949 16 S CB 0.038 63.232 63.200 -0.010 0.000 0.766 16 S HN 0.346 nan 8.310 nan 0.000 0.517 17 K N 0.333 120.727 120.400 -0.011 0.000 2.432 17 K HA 0.139 4.460 4.320 0.002 0.000 0.196 17 K C 0.192 176.785 176.600 -0.011 0.000 1.038 17 K CA 0.327 56.609 56.287 -0.009 0.000 0.986 17 K CB -0.015 32.481 32.500 -0.008 0.000 0.782 17 K HN 0.286 nan 8.250 nan 0.000 0.485 18 M N 1.088 120.679 119.600 -0.014 0.000 2.245 18 M HA 0.053 4.533 4.480 0.002 0.000 0.344 18 M C 1.181 177.470 176.300 -0.017 0.000 1.170 18 M CA 0.562 55.852 55.300 -0.016 0.000 1.135 18 M CB 0.353 32.942 32.600 -0.019 0.000 1.574 18 M HN 0.138 nan 8.290 nan 0.000 0.452 19 I N -1.071 119.488 120.570 -0.019 0.000 4.240 19 I HA 0.153 4.324 4.170 0.002 0.000 0.331 19 I C 1.142 177.244 176.117 -0.025 0.000 1.381 19 I CA -0.138 61.150 61.300 -0.020 0.000 1.136 19 I CB 0.053 38.043 38.000 -0.017 0.000 1.137 19 I HN 0.511 nan 8.210 nan 0.000 0.411 20 D N 2.382 122.764 120.400 -0.030 0.000 2.218 20 D HA -0.239 4.402 4.640 0.002 0.000 0.204 20 D C 1.832 178.105 176.300 -0.045 0.000 0.976 20 D CA 1.125 55.101 54.000 -0.040 0.000 0.853 20 D CB -0.422 40.349 40.800 -0.047 0.000 0.939 20 D HN 0.430 nan 8.370 nan 0.000 0.481 21 R N 0.319 120.796 120.500 -0.039 0.000 2.139 21 R HA -0.066 4.275 4.340 0.002 0.000 0.243 21 R C 1.909 178.190 176.300 -0.033 0.000 1.145 21 R CA 1.303 57.381 56.100 -0.037 0.000 0.976 21 R CB -0.404 29.878 30.300 -0.029 0.000 0.866 21 R HN 0.306 nan 8.270 nan 0.000 0.449 22 N N 0.367 119.049 118.700 -0.028 0.000 2.459 22 N HA -0.081 4.660 4.740 0.002 0.000 0.181 22 N C 1.343 176.837 175.510 -0.028 0.000 1.046 22 N CA 0.720 53.755 53.050 -0.025 0.000 0.904 22 N CB 0.112 38.587 38.487 -0.020 0.000 0.964 22 N HN 0.183 nan 8.380 nan 0.000 0.444 23 L N 0.745 121.947 121.223 -0.034 0.000 2.465 23 L HA 0.028 4.368 4.340 0.002 0.000 0.224 23 L C 0.506 177.351 176.870 -0.042 0.000 1.145 23 L CA 0.800 55.617 54.840 -0.038 0.000 0.834 23 L CB -0.395 41.639 42.059 -0.042 0.000 0.944 23 L HN 0.042 nan 8.230 nan 0.000 0.451 24 R N 0.071 120.545 120.500 -0.043 0.000 2.460 24 R HA 0.122 4.463 4.340 0.002 0.000 0.303 24 R C 1.060 177.341 176.300 -0.033 0.000 0.968 24 R CA -0.304 55.770 56.100 -0.044 0.000 0.889 24 R CB 1.493 31.760 30.300 -0.056 0.000 1.123 24 R HN -0.004 nan 8.270 nan 0.000 0.455 25 E N 1.999 122.181 120.200 -0.029 0.000 2.118 25 E HA -0.223 4.128 4.350 0.002 0.000 0.195 25 E C -0.065 176.523 176.600 -0.020 0.000 0.992 25 E CA 1.336 57.723 56.400 -0.022 0.000 0.804 25 E CB 0.269 29.957 29.700 -0.020 0.000 0.741 25 E HN 0.492 nan 8.360 nan 0.000 0.458 26 D N -0.345 120.041 120.400 -0.023 0.000 2.738 26 D HA 0.106 4.747 4.640 0.002 0.000 0.246 26 D C 0.872 177.160 176.300 -0.019 0.000 1.270 26 D CA 0.219 54.209 54.000 -0.018 0.000 0.833 26 D CB 0.676 41.467 40.800 -0.014 0.000 1.040 26 D HN 0.322 nan 8.370 nan 0.000 0.487 27 G N 0.685 109.472 108.800 -0.022 0.000 2.422 27 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 27 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 27 G C 1.357 176.245 174.900 -0.020 0.000 1.140 27 G CA 0.368 45.452 45.100 -0.027 0.000 0.775 27 G HN 0.158 nan 8.290 nan 0.000 0.545 28 E N 0.195 120.388 120.200 -0.011 0.000 2.481 28 E HA 0.053 4.404 4.350 0.002 0.000 0.195 28 E C 1.811 178.413 176.600 0.003 0.000 1.047 28 E CA 0.323 56.720 56.400 -0.005 0.000 0.867 28 E CB 0.214 29.913 29.700 -0.002 0.000 0.858 28 E HN 0.407 nan 8.360 nan 0.000 0.513 29 K N 0.240 120.640 120.400 -0.000 0.000 2.353 29 K HA 0.215 4.536 4.320 0.002 0.000 0.195 29 K C 0.625 177.223 176.600 -0.002 0.000 1.031 29 K CA -0.125 56.167 56.287 0.007 0.000 1.079 29 K CB 0.826 33.329 32.500 0.006 0.000 0.857 29 K HN -0.058 nan 8.250 nan 0.000 0.535 30 A N 1.168 123.976 122.820 -0.019 0.000 2.366 30 A HA 0.516 4.837 4.320 0.002 0.000 0.249 30 A C -0.217 177.327 177.584 -0.066 0.000 1.084 30 A CA -0.238 51.773 52.037 -0.042 0.000 0.794 30 A CB 0.429 19.398 19.000 -0.052 0.000 1.034 30 A HN 0.228 nan 8.150 nan 0.000 0.491 31 A N 1.346 124.083 122.820 -0.138 0.000 2.253 31 A HA 0.561 4.882 4.320 0.002 0.000 0.316 31 A C 0.316 177.819 177.584 -0.136 0.000 1.327 31 A CA -0.615 51.222 52.037 -0.334 0.000 0.917 31 A CB -0.042 18.452 19.000 -0.843 0.000 1.162 31 A HN 0.814 nan 8.150 nan 0.000 0.535 32 R N 2.564 123.037 120.500 -0.044 0.000 2.296 32 R HA 0.247 4.588 4.340 0.002 0.000 0.323 32 R C -0.487 175.804 176.300 -0.015 0.000 1.067 32 R CA 0.562 56.669 56.100 0.012 0.000 0.946 32 R CB 0.091 30.393 30.300 0.003 0.000 0.991 32 R HN 0.741 nan 8.270 nan 0.000 0.448 33 E N 3.196 123.388 120.200 -0.014 0.000 2.166 33 E HA 0.299 4.650 4.350 0.002 0.000 0.275 33 E C -1.005 175.489 176.600 -0.177 0.000 0.941 33 E CA -0.992 55.328 56.400 -0.134 0.000 0.784 33 E CB 2.232 31.767 29.700 -0.276 0.000 1.115 33 E HN 0.264 nan 8.360 nan 0.000 0.399 34 V N 3.477 123.211 119.914 -0.301 0.000 2.409 34 V HA 0.228 4.349 4.120 0.002 0.000 0.291 34 V C -0.112 175.887 176.094 -0.157 0.000 1.020 34 V CA -0.780 61.328 62.300 -0.320 0.000 0.848 34 V CB 1.539 32.947 31.823 -0.693 0.000 0.990 34 V HN 0.524 nan 8.190 nan 0.000 0.430 35 K N 4.330 124.703 120.400 -0.046 0.000 2.253 35 K HA 0.546 4.866 4.320 0.002 0.000 0.277 35 K C -1.354 175.318 176.600 0.120 0.000 1.053 35 K CA -0.617 55.708 56.287 0.065 0.000 0.892 35 K CB 0.935 33.456 32.500 0.035 0.000 1.102 35 K HN 0.461 nan 8.250 nan 0.000 0.469 36 L N 6.074 127.438 121.223 0.234 0.000 2.325 36 L HA 0.428 4.769 4.340 0.002 0.000 0.281 36 L C -1.551 175.487 176.870 0.280 0.000 1.004 36 L CA -0.808 54.182 54.840 0.249 0.000 0.823 36 L CB 1.340 43.606 42.059 0.345 0.000 1.236 36 L HN 0.569 nan 8.230 nan 0.000 0.415 37 L N 4.768 126.094 121.223 0.170 0.000 2.322 37 L HA 0.614 4.955 4.340 0.002 0.000 0.279 37 L C -1.099 175.837 176.870 0.110 0.000 1.036 37 L CA -0.216 54.724 54.840 0.168 0.000 0.807 37 L CB 1.676 43.787 42.059 0.086 0.000 1.226 37 L HN 0.546 nan 8.230 nan 0.000 0.433 38 L N 5.008 126.312 121.223 0.135 0.000 2.349 38 L HA 0.642 4.983 4.340 0.002 0.000 0.278 38 L C -1.093 175.818 176.870 0.069 0.000 0.996 38 L CA 0.079 54.959 54.840 0.066 0.000 0.825 38 L CB 1.533 43.630 42.059 0.062 0.000 1.243 38 L HN 0.441 nan 8.230 nan 0.000 0.412 39 L N 2.890 124.126 121.223 0.021 0.000 2.393 39 L HA 1.024 5.365 4.340 0.002 0.000 0.260 39 L C -0.114 176.639 176.870 -0.195 0.000 1.002 39 L CA -0.771 54.095 54.840 0.043 0.000 0.818 39 L CB 2.370 44.545 42.059 0.193 0.000 1.369 39 L HN 0.663 nan 8.230 nan 0.000 0.412 40 G N 0.434 109.119 108.800 -0.191 0.000 2.358 40 G HA2 0.467 4.427 3.960 0.002 0.000 0.303 40 G HA3 0.467 4.427 3.960 0.002 0.000 0.303 40 G C -1.356 173.474 174.900 -0.116 0.000 1.537 40 G CA -0.196 44.654 45.100 -0.416 0.000 0.928 40 G HN 0.809 nan 8.290 nan 0.000 0.656 41 A N -0.303 122.468 122.820 -0.082 0.000 2.429 41 A HA 0.591 4.912 4.320 0.002 0.000 0.242 41 A C 1.084 178.666 177.584 -0.003 0.000 1.088 41 A CA 0.337 52.378 52.037 0.007 0.000 0.784 41 A CB 0.640 19.664 19.000 0.040 0.000 1.038 41 A HN 2.003 nan 8.150 nan 0.000 0.501 42 V N 1.502 121.432 119.914 0.026 0.000 2.673 42 V HA 0.138 4.259 4.120 0.002 0.000 0.303 42 V C 0.804 176.907 176.094 0.014 0.000 1.046 42 V CA 1.454 63.769 62.300 0.025 0.000 1.126 42 V CB -0.132 31.716 31.823 0.041 0.000 0.934 42 V HN 1.102 nan 8.190 nan 0.000 0.487 43 E N 2.252 122.457 120.200 0.008 0.000 3.547 43 E HA -0.224 4.126 4.350 0.002 0.000 0.309 43 E C 1.269 177.861 176.600 -0.014 0.000 0.855 43 E CA 0.778 57.180 56.400 0.003 0.000 1.122 43 E CB -1.747 27.960 29.700 0.012 0.000 1.569 43 E HN 0.991 nan 8.360 nan 0.000 0.429 44 S N -0.741 114.938 115.700 -0.034 0.000 2.461 44 S HA 0.188 4.659 4.470 0.002 0.000 0.228 44 S C 1.625 176.191 174.600 -0.056 0.000 1.005 44 S CA 1.020 59.182 58.200 -0.064 0.000 0.942 44 S CB 0.782 63.906 63.200 -0.127 0.000 0.776 44 S HN 0.996 nan 8.310 nan 0.000 0.514 45 G N 0.837 109.614 108.800 -0.038 0.000 2.164 45 G HA2 -0.169 3.792 3.960 0.002 0.000 0.154 45 G HA3 -0.169 3.792 3.960 0.002 0.000 0.154 45 G C 0.647 175.538 174.900 -0.016 0.000 1.014 45 G CA 0.127 45.213 45.100 -0.024 0.000 0.683 45 G HN 0.459 nan 8.290 nan 0.000 0.500 46 K N 0.730 121.117 120.400 -0.022 0.000 1.985 46 K HA -0.013 4.308 4.320 0.002 0.000 0.210 46 K C 2.637 179.238 176.600 0.002 0.000 1.047 46 K CA 1.610 57.890 56.287 -0.011 0.000 0.932 46 K CB -0.406 32.090 32.500 -0.007 0.000 0.716 46 K HN 0.203 nan 8.250 nan 0.000 0.439 47 S N 0.592 116.297 115.700 0.007 0.000 2.378 47 S HA -0.223 4.248 4.470 0.002 0.000 0.229 47 S C 2.026 176.618 174.600 -0.014 0.000 1.052 47 S CA 2.172 60.377 58.200 0.009 0.000 1.084 47 S CB -0.585 62.626 63.200 0.018 0.000 0.950 47 S HN 0.402 nan 8.310 nan 0.000 0.440 48 T N 2.781 117.317 114.554 -0.030 0.000 2.684 48 T HA -0.088 4.263 4.350 0.002 0.000 0.267 48 T C 1.762 176.424 174.700 -0.063 0.000 1.036 48 T CA 1.380 63.445 62.100 -0.058 0.000 1.148 48 T CB -0.422 68.408 68.868 -0.064 0.000 0.863 48 T HN 0.258 nan 8.240 nan 0.000 0.436 49 I N 1.199 121.748 120.570 -0.035 0.000 2.151 49 I HA -0.166 4.004 4.170 0.002 0.000 0.243 49 I C 2.607 178.668 176.117 -0.093 0.000 1.080 49 I CA 1.215 62.490 61.300 -0.041 0.000 1.339 49 I CB -1.610 36.406 38.000 0.026 0.000 1.039 49 I HN 0.136 nan 8.210 nan 0.000 0.409 50 V N 1.136 121.017 119.914 -0.054 0.000 2.282 50 V HA -0.310 3.811 4.120 0.002 0.000 0.249 50 V C 2.581 178.635 176.094 -0.067 0.000 1.057 50 V CA 1.894 64.162 62.300 -0.052 0.000 1.032 50 V CB -0.768 31.053 31.823 -0.003 0.000 0.645 50 V HN 0.425 nan 8.190 nan 0.000 0.447 51 K N -0.481 119.897 120.400 -0.036 0.000 2.032 51 K HA -0.225 4.096 4.320 0.002 0.000 0.209 51 K C 2.294 178.860 176.600 -0.057 0.000 1.048 51 K CA 1.575 57.865 56.287 0.005 0.000 0.927 51 K CB -0.299 32.173 32.500 -0.046 0.000 0.712 51 K HN 0.491 nan 8.250 nan 0.000 0.441 52 Q N 0.087 119.802 119.800 -0.141 0.000 2.096 52 Q HA -0.151 4.190 4.340 0.002 0.000 0.204 52 Q C 2.113 177.896 176.000 -0.360 0.000 0.982 52 Q CA 1.168 56.839 55.803 -0.221 0.000 0.850 52 Q CB -0.222 28.387 28.738 -0.215 0.000 0.901 52 Q HN 0.363 nan 8.270 nan 0.000 0.422 53 M N 0.686 120.031 119.600 -0.426 0.000 2.149 53 M HA -0.142 4.338 4.480 0.002 0.000 0.261 53 M C 1.839 177.840 176.300 -0.499 0.000 1.064 53 M CA 1.534 56.434 55.300 -0.668 0.000 1.102 53 M CB -0.624 31.500 32.600 -0.793 0.000 1.369 53 M HN 0.078 nan 8.290 nan 0.000 0.408 54 K N -0.005 120.223 120.400 -0.286 0.000 2.103 54 K HA 0.040 4.361 4.320 0.002 0.000 0.204 54 K C 1.911 178.403 176.600 -0.180 0.000 1.052 54 K CA 0.894 57.061 56.287 -0.200 0.000 0.945 54 K CB -0.139 32.265 32.500 -0.160 0.000 0.722 54 K HN 0.223 nan 8.250 nan 0.000 0.443 55 I N 0.617 121.101 120.570 -0.143 0.000 2.179 55 I HA -0.284 3.887 4.170 0.002 0.000 0.242 55 I C 2.025 178.013 176.117 -0.216 0.000 1.088 55 I CA 1.391 62.618 61.300 -0.123 0.000 1.357 55 I CB -0.194 37.760 38.000 -0.077 0.000 1.051 55 I HN 0.089 nan 8.210 nan 0.000 0.409 56 I N -0.519 119.824 120.570 -0.379 0.000 2.277 56 I HA -0.244 3.927 4.170 0.002 0.000 0.243 56 I C 2.060 177.876 176.117 -0.501 0.000 1.094 56 I CA 1.639 62.610 61.300 -0.548 0.000 1.393 56 I CB -0.328 37.137 38.000 -0.892 0.000 1.078 56 I HN 0.238 nan 8.210 nan 0.000 0.417 57 H N -0.964 117.941 119.070 -0.275 0.000 2.729 57 H HA 0.218 4.775 4.556 0.002 0.000 0.263 57 H C 0.842 176.118 175.328 -0.085 0.000 0.961 57 H CA -0.129 55.806 56.048 -0.188 0.000 1.217 57 H CB 0.629 30.225 29.762 -0.277 0.000 1.447 57 H HN 0.278 nan 8.280 nan 0.000 0.496 58 E N 0.275 120.461 120.200 -0.023 0.000 3.158 58 E HA 0.495 4.846 4.350 0.002 0.000 0.260 58 E C 0.784 177.351 176.600 -0.055 0.000 0.630 58 E CA -0.025 56.363 56.400 -0.021 0.000 1.795 58 E CB 0.415 30.090 29.700 -0.041 0.000 1.938 58 E HN 0.153 nan 8.360 nan 0.000 0.442 59 A N 0.042 122.818 122.820 -0.074 0.000 2.308 59 A HA 0.462 4.783 4.320 0.002 0.000 0.217 59 A C 0.923 178.454 177.584 -0.088 0.000 1.216 59 A CA 0.799 52.793 52.037 -0.073 0.000 0.864 59 A CB -0.532 18.433 19.000 -0.058 0.000 0.902 59 A HN 0.627 nan 8.150 nan 0.000 0.499 60 G N -1.278 107.446 108.800 -0.127 0.000 2.632 60 G HA2 -0.188 3.773 3.960 0.002 0.000 0.224 60 G HA3 -0.188 3.773 3.960 0.002 0.000 0.224 60 G C -0.585 174.228 174.900 -0.146 0.000 1.341 60 G CA -0.170 44.887 45.100 -0.071 0.000 0.880 60 G HN 0.449 nan 8.290 nan 0.000 0.566 61 Y N 1.879 122.130 120.300 -0.081 0.000 2.353 61 Y HA 0.556 5.106 4.550 0.001 0.000 0.340 61 Y C 1.398 177.267 175.900 -0.052 0.000 0.972 61 Y CA 0.002 58.060 58.100 -0.070 0.000 1.157 61 Y CB 1.402 39.801 38.460 -0.102 0.000 1.157 61 Y HN 0.929 nan 8.280 nan 0.000 0.495 62 S N 1.078 116.793 115.700 0.026 0.000 2.592 62 S HA -0.057 4.413 4.470 0.002 0.000 0.256 62 S C 1.264 175.890 174.600 0.044 0.000 1.369 62 S CA 0.014 58.225 58.200 0.018 0.000 0.984 62 S CB 0.643 63.840 63.200 -0.004 0.000 0.919 62 S HN 0.877 nan 8.310 nan 0.000 0.576 63 E N 0.406 120.616 120.200 0.017 0.000 2.299 63 E HA -0.158 4.193 4.350 0.002 0.000 0.193 63 E C 1.583 178.186 176.600 0.004 0.000 0.998 63 E CA 0.895 57.298 56.400 0.005 0.000 0.851 63 E CB -0.313 29.380 29.700 -0.012 0.000 0.795 63 E HN 0.881 nan 8.360 nan 0.000 0.492 64 E N 1.051 121.256 120.200 0.008 0.000 2.204 64 E HA -0.196 4.155 4.350 0.002 0.000 0.195 64 E C 1.740 178.362 176.600 0.036 0.000 0.990 64 E CA 1.062 57.468 56.400 0.011 0.000 0.821 64 E CB -0.140 29.563 29.700 0.003 0.000 0.750 64 E HN 0.413 nan 8.360 nan 0.000 0.477 65 E N 0.449 120.689 120.200 0.067 0.000 2.107 65 E HA -0.082 4.269 4.350 0.002 0.000 0.191 65 E C 2.077 178.806 176.600 0.216 0.000 0.982 65 E CA 0.980 57.465 56.400 0.143 0.000 0.809 65 E CB -0.097 29.695 29.700 0.154 0.000 0.756 65 E HN 0.274 nan 8.360 nan 0.000 0.459 66 C N 0.966 120.345 119.300 0.133 0.000 2.425 66 C HA -0.109 4.352 4.460 0.002 0.000 0.277 66 C C 2.398 177.411 174.990 0.038 0.000 1.280 66 C CA 0.734 59.790 59.018 0.064 0.000 1.744 66 C CB -0.549 27.177 27.740 -0.024 0.000 1.989 66 C HN 0.357 nan 8.230 nan 0.000 0.491 67 K N 0.451 120.851 120.400 -0.000 0.000 2.097 67 K HA -0.158 4.163 4.320 0.002 0.000 0.206 67 K C 2.218 178.806 176.600 -0.020 0.000 1.049 67 K CA 1.155 57.417 56.287 -0.040 0.000 0.933 67 K CB -0.186 32.291 32.500 -0.037 0.000 0.717 67 K HN 0.544 nan 8.250 nan 0.000 0.442 68 Q N -0.502 119.307 119.800 0.016 0.000 2.308 68 Q HA -0.204 4.136 4.340 0.002 0.000 0.209 68 Q C 1.195 177.107 176.000 -0.146 0.000 0.985 68 Q CA 1.490 57.263 55.803 -0.051 0.000 0.881 68 Q CB -0.223 28.474 28.738 -0.067 0.000 0.917 68 Q HN 0.529 nan 8.270 nan 0.000 0.443 69 Y N 0.428 120.683 120.300 -0.075 0.000 2.466 69 Y HA 0.066 4.616 4.550 0.001 0.000 0.272 69 Y C 2.225 178.033 175.900 -0.153 0.000 1.169 69 Y CA 0.128 58.172 58.100 -0.094 0.000 1.285 69 Y CB 0.152 38.557 38.460 -0.093 0.000 1.078 69 Y HN 0.012 nan 8.280 nan 0.000 0.523 70 K N 0.799 121.135 120.400 -0.106 0.000 2.032 70 K HA -0.192 4.129 4.320 0.002 0.000 0.209 70 K C 2.211 178.524 176.600 -0.479 0.000 1.048 70 K CA 1.440 57.559 56.287 -0.280 0.000 0.927 70 K CB -0.192 32.155 32.500 -0.255 0.000 0.712 70 K HN 0.249 nan 8.250 nan 0.000 0.441 71 A N 0.415 123.102 122.820 -0.221 0.000 2.066 71 A HA -0.027 4.294 4.320 0.002 0.000 0.218 71 A C 2.092 179.648 177.584 -0.046 0.000 1.157 71 A CA 1.095 53.098 52.037 -0.057 0.000 0.670 71 A CB -0.344 18.702 19.000 0.076 0.000 0.804 71 A HN 0.177 nan 8.150 nan 0.000 0.453 72 V N -0.280 119.585 119.914 -0.081 0.000 2.287 72 V HA -0.270 3.851 4.120 0.002 0.000 0.248 72 V C 2.517 178.551 176.094 -0.100 0.000 1.053 72 V CA 2.123 64.393 62.300 -0.050 0.000 1.027 72 V CB -1.173 30.652 31.823 0.004 0.000 0.646 72 V HN 0.363 nan 8.190 nan 0.000 0.447 73 V N -0.834 118.967 119.914 -0.187 0.000 2.255 73 V HA -0.299 3.822 4.120 0.002 0.000 0.247 73 V C 2.337 178.227 176.094 -0.340 0.000 1.051 73 V CA 2.278 64.358 62.300 -0.367 0.000 1.018 73 V CB -0.904 30.748 31.823 -0.286 0.000 0.641 73 V HN 0.477 nan 8.190 nan 0.000 0.445 74 Y N 0.437 120.636 120.300 -0.169 0.000 2.128 74 Y HA -0.228 4.322 4.550 0.000 0.000 0.284 74 Y C 2.999 178.790 175.900 -0.182 0.000 1.154 74 Y CA 1.392 59.381 58.100 -0.185 0.000 1.149 74 Y CB -1.440 36.951 38.460 -0.114 0.000 0.976 74 Y HN 0.257 nan 8.280 nan 0.000 0.505 75 S N -0.007 115.708 115.700 0.025 0.000 2.356 75 S HA -0.227 4.244 4.470 0.002 0.000 0.223 75 S C 1.909 176.490 174.600 -0.031 0.000 1.032 75 S CA 1.680 59.880 58.200 0.000 0.000 1.005 75 S CB -0.602 62.614 63.200 0.025 0.000 0.867 75 S HN 0.621 nan 8.310 nan 0.000 0.449 76 N N -0.340 118.323 118.700 -0.062 0.000 2.137 76 N HA -0.111 4.629 4.740 0.002 0.000 0.190 76 N C 1.617 177.100 175.510 -0.045 0.000 1.017 76 N CA 1.794 54.824 53.050 -0.033 0.000 0.859 76 N CB -0.260 38.218 38.487 -0.016 0.000 1.002 76 N HN 0.436 nan 8.380 nan 0.000 0.428 77 T N 1.147 115.616 114.554 -0.141 0.000 2.770 77 T HA -0.003 4.348 4.350 0.002 0.000 0.263 77 T C 2.010 176.640 174.700 -0.118 0.000 1.039 77 T CA 0.659 62.675 62.100 -0.139 0.000 1.142 77 T CB -0.077 68.670 68.868 -0.201 0.000 0.868 77 T HN 0.154 nan 8.240 nan 0.000 0.435 78 I N 1.000 121.498 120.570 -0.119 0.000 2.202 78 I HA -0.201 3.970 4.170 0.002 0.000 0.242 78 I C 2.878 178.951 176.117 -0.073 0.000 1.091 78 I CA 1.258 62.483 61.300 -0.125 0.000 1.368 78 I CB -0.419 37.495 38.000 -0.142 0.000 1.058 78 I HN 0.291 nan 8.210 nan 0.000 0.410 79 Q N 0.762 120.544 119.800 -0.030 0.000 2.096 79 Q HA -0.274 4.067 4.340 0.002 0.000 0.208 79 Q C 2.248 178.267 176.000 0.031 0.000 0.993 79 Q CA 2.763 58.573 55.803 0.012 0.000 0.862 79 Q CB -0.039 28.719 28.738 0.033 0.000 0.915 79 Q HN 0.449 nan 8.270 nan 0.000 0.416 80 S N 0.329 116.044 115.700 0.024 0.000 2.356 80 S HA -0.147 4.324 4.470 0.002 0.000 0.223 80 S C 1.809 176.445 174.600 0.060 0.000 1.032 80 S CA 1.201 59.435 58.200 0.056 0.000 1.005 80 S CB -0.331 62.889 63.200 0.033 0.000 0.867 80 S HN 0.441 nan 8.310 nan 0.000 0.449 81 I N 1.874 122.438 120.570 -0.009 0.000 2.252 81 I HA -0.081 4.090 4.170 0.002 0.000 0.245 81 I C 1.873 178.003 176.117 0.022 0.000 1.102 81 I CA 1.094 62.397 61.300 0.005 0.000 1.385 81 I CB -0.270 37.696 38.000 -0.056 0.000 1.064 81 I HN 0.248 nan 8.210 nan 0.000 0.414 82 I N 0.357 120.911 120.570 -0.026 0.000 2.208 82 I HA -0.332 3.839 4.170 0.002 0.000 0.245 82 I C 2.595 178.757 176.117 0.074 0.000 1.097 82 I CA 1.346 62.629 61.300 -0.028 0.000 1.363 82 I CB -0.664 37.291 38.000 -0.074 0.000 1.051 82 I HN 0.309 nan 8.210 nan 0.000 0.413 83 A N 1.276 124.153 122.820 0.095 0.000 1.883 83 A HA -0.219 4.101 4.320 0.002 0.000 0.217 83 A C 2.245 179.862 177.584 0.054 0.000 1.186 83 A CA 1.732 53.841 52.037 0.121 0.000 0.624 83 A CB -0.872 18.247 19.000 0.198 0.000 0.822 83 A HN 0.413 nan 8.150 nan 0.000 0.444 84 I N -0.065 120.586 120.570 0.136 0.000 2.142 84 I HA -0.249 3.922 4.170 0.002 0.000 0.240 84 I C 2.241 178.358 176.117 0.001 0.000 1.078 84 I CA 0.976 62.339 61.300 0.105 0.000 1.343 84 I CB -0.515 37.666 38.000 0.301 0.000 1.046 84 I HN 0.229 nan 8.210 nan 0.000 0.405 85 I N 0.888 121.507 120.570 0.081 0.000 2.091 85 I HA -0.331 3.840 4.170 0.002 0.000 0.239 85 I C 2.686 178.848 176.117 0.075 0.000 1.061 85 I CA 1.700 63.069 61.300 0.115 0.000 1.317 85 I CB -1.492 36.631 38.000 0.206 0.000 1.031 85 I HN 0.294 nan 8.210 nan 0.000 0.401 86 R N 0.673 121.236 120.500 0.104 0.000 2.113 86 R HA -0.222 4.119 4.340 0.002 0.000 0.244 86 R C 2.359 178.610 176.300 -0.081 0.000 1.142 86 R CA 2.178 58.306 56.100 0.046 0.000 0.953 86 R CB -0.293 30.049 30.300 0.071 0.000 0.860 86 R HN 0.414 nan 8.270 nan 0.000 0.438 87 A N 0.609 123.299 122.820 -0.217 0.000 1.933 87 A HA -0.207 4.114 4.320 0.002 0.000 0.218 87 A C 2.193 179.635 177.584 -0.236 0.000 1.175 87 A CA 1.753 53.574 52.037 -0.359 0.000 0.628 87 A CB -0.505 17.922 19.000 -0.955 0.000 0.814 87 A HN 0.392 nan 8.150 nan 0.000 0.444 88 M N -0.617 118.865 119.600 -0.197 0.000 2.153 88 M HA -0.251 4.229 4.480 0.002 0.000 0.253 88 M C 2.180 178.392 176.300 -0.146 0.000 1.081 88 M CA 1.698 56.894 55.300 -0.174 0.000 1.076 88 M CB -0.732 31.722 32.600 -0.243 0.000 1.350 88 M HN 0.545 nan 8.290 nan 0.000 0.401 89 G N -0.533 108.197 108.800 -0.116 0.000 2.394 89 G HA2 -0.142 3.819 3.960 0.002 0.000 0.215 89 G HA3 -0.142 3.819 3.960 0.002 0.000 0.215 89 G C 1.681 176.541 174.900 -0.066 0.000 1.165 89 G CA 0.288 45.337 45.100 -0.084 0.000 0.784 89 G HN 0.352 nan 8.290 nan 0.000 0.535 90 R N -0.443 120.016 120.500 -0.067 0.000 2.148 90 R HA 0.182 4.523 4.340 0.002 0.000 0.223 90 R C 1.990 178.269 176.300 -0.036 0.000 1.088 90 R CA 0.578 56.651 56.100 -0.045 0.000 0.985 90 R CB -0.149 30.127 30.300 -0.040 0.000 0.880 90 R HN 0.360 nan 8.270 nan 0.000 0.451 91 L N -0.609 120.585 121.223 -0.048 0.000 2.766 91 L HA 0.182 4.523 4.340 0.002 0.000 0.242 91 L C -0.071 176.778 176.870 -0.036 0.000 1.136 91 L CA -0.112 54.711 54.840 -0.028 0.000 0.933 91 L CB 0.336 42.386 42.059 -0.016 0.000 1.241 91 L HN -0.042 nan 8.230 nan 0.000 0.522 92 K N 1.597 121.964 120.400 -0.056 0.000 3.549 92 K HA -0.093 4.228 4.320 0.002 0.000 0.275 92 K C -0.887 175.674 176.600 -0.065 0.000 1.060 92 K CA 0.352 56.605 56.287 -0.057 0.000 0.812 92 K CB -1.040 31.439 32.500 -0.035 0.000 1.374 92 K HN 0.215 nan 8.250 nan 0.000 0.455 93 I N 1.327 121.837 120.570 -0.100 0.000 2.465 93 I HA 0.304 4.475 4.170 0.002 0.000 0.291 93 I C 0.286 176.300 176.117 -0.172 0.000 1.014 93 I CA -0.977 60.260 61.300 -0.103 0.000 1.093 93 I CB 1.705 39.650 38.000 -0.092 0.000 1.267 93 I HN 0.141 nan 8.210 nan 0.000 0.431 94 D N 4.595 124.918 120.400 -0.128 0.000 2.332 94 D HA 0.357 4.998 4.640 0.002 0.000 0.252 94 D C -0.426 175.793 176.300 -0.134 0.000 1.050 94 D CA -0.302 53.609 54.000 -0.147 0.000 0.970 94 D CB 1.377 42.160 40.800 -0.029 0.000 1.141 94 D HN 0.044 nan 8.370 nan 0.000 0.485 95 F N 0.425 120.383 119.950 0.013 0.000 2.496 95 F HA 0.182 4.710 4.527 0.002 0.000 0.344 95 F C 1.905 177.708 175.800 0.005 0.000 1.155 95 F CA -0.040 57.967 58.000 0.011 0.000 1.302 95 F CB 0.448 39.457 39.000 0.015 0.000 1.159 95 F HN 0.417 nan 8.300 nan 0.000 0.595 96 G N 0.315 109.240 108.800 0.207 0.000 2.402 96 G HA2 -0.140 3.821 3.960 0.002 0.000 0.216 96 G HA3 -0.140 3.821 3.960 0.002 0.000 0.216 96 G C -0.146 174.804 174.900 0.084 0.000 1.162 96 G CA 0.861 46.023 45.100 0.103 0.000 0.777 96 G HN 0.565 nan 8.290 nan 0.000 0.539 97 D N -1.650 118.803 120.400 0.087 0.000 2.787 97 D HA 0.574 5.215 4.640 0.002 0.000 0.246 97 D C 1.011 177.324 176.300 0.023 0.000 1.150 97 D CA 0.052 54.075 54.000 0.038 0.000 0.864 97 D CB 1.453 42.255 40.800 0.003 0.000 1.481 97 D HN 0.025 nan 8.370 nan 0.000 0.509 98 S N 1.993 117.707 115.700 0.024 0.000 2.522 98 S HA 0.186 4.657 4.470 0.002 0.000 0.227 98 S C 1.696 176.263 174.600 -0.055 0.000 0.986 98 S CA 0.977 59.192 58.200 0.025 0.000 0.929 98 S CB -0.103 63.125 63.200 0.046 0.000 0.769 98 S HN 0.573 nan 8.310 nan 0.000 0.529 99 A N 1.570 124.350 122.820 -0.067 0.000 2.070 99 A HA -0.082 4.239 4.320 0.002 0.000 0.220 99 A C 2.172 179.656 177.584 -0.167 0.000 1.159 99 A CA 0.916 52.900 52.037 -0.088 0.000 0.656 99 A CB -0.269 18.694 19.000 -0.063 0.000 0.800 99 A HN 0.415 nan 8.150 nan 0.000 0.453 100 R N -0.197 120.133 120.500 -0.283 0.000 2.193 100 R HA -0.072 4.269 4.340 0.002 0.000 0.229 100 R C 2.198 178.063 176.300 -0.725 0.000 1.110 100 R CA 1.168 56.951 56.100 -0.528 0.000 0.988 100 R CB -1.114 28.759 30.300 -0.712 0.000 0.871 100 R HN 0.548 nan 8.270 nan 0.000 0.458 101 A N 1.632 124.118 122.820 -0.557 0.000 2.019 101 A HA -0.167 4.154 4.320 0.002 0.000 0.219 101 A C 1.521 179.052 177.584 -0.088 0.000 1.164 101 A CA 1.611 53.506 52.037 -0.237 0.000 0.644 101 A CB -0.200 18.810 19.000 0.017 0.000 0.805 101 A HN 0.180 nan 8.150 nan 0.000 0.449 102 D N 0.532 120.875 120.400 -0.094 0.000 2.117 102 D HA -0.131 4.510 4.640 0.002 0.000 0.198 102 D C 1.226 177.502 176.300 -0.041 0.000 0.982 102 D CA 1.339 55.312 54.000 -0.045 0.000 0.828 102 D CB -0.514 40.261 40.800 -0.040 0.000 0.967 102 D HN 0.374 nan 8.370 nan 0.000 0.464 103 D N 1.157 121.504 120.400 -0.088 0.000 2.116 103 D HA -0.168 4.473 4.640 0.002 0.000 0.193 103 D C 2.073 178.354 176.300 -0.031 0.000 0.998 103 D CA 1.552 55.507 54.000 -0.076 0.000 0.836 103 D CB -0.381 40.353 40.800 -0.110 0.000 0.951 103 D HN 0.165 nan 8.370 nan 0.000 0.449 104 A N 1.041 123.852 122.820 -0.015 0.000 1.883 104 A HA -0.231 4.090 4.320 0.002 0.000 0.217 104 A C 2.194 179.930 177.584 0.252 0.000 1.186 104 A CA 1.823 53.947 52.037 0.145 0.000 0.624 104 A CB -0.594 18.579 19.000 0.288 0.000 0.822 104 A HN 0.134 nan 8.150 nan 0.000 0.444 105 R N -1.164 119.455 120.500 0.197 0.000 2.094 105 R HA -0.228 4.113 4.340 0.002 0.000 0.239 105 R C 2.320 178.721 176.300 0.168 0.000 1.137 105 R CA 1.962 58.184 56.100 0.202 0.000 0.943 105 R CB -0.340 30.025 30.300 0.108 0.000 0.850 105 R HN 0.458 nan 8.270 nan 0.000 0.433 106 Q N 0.649 120.498 119.800 0.081 0.000 2.152 106 Q HA -0.182 4.159 4.340 0.002 0.000 0.206 106 Q C 2.049 178.061 176.000 0.021 0.000 0.985 106 Q CA 1.237 57.067 55.803 0.045 0.000 0.863 106 Q CB -0.505 28.240 28.738 0.012 0.000 0.904 106 Q HN 0.297 nan 8.270 nan 0.000 0.422 107 L N -0.194 121.009 121.223 -0.034 0.000 1.971 107 L HA -0.182 4.159 4.340 0.002 0.000 0.215 107 L C 2.002 178.755 176.870 -0.196 0.000 1.072 107 L CA 1.838 56.576 54.840 -0.170 0.000 0.758 107 L CB -0.946 40.928 42.059 -0.309 0.000 0.889 107 L HN 0.115 nan 8.230 nan 0.000 0.433 108 F N -1.096 118.875 119.950 0.034 0.000 2.161 108 F HA -0.217 4.311 4.527 0.002 0.000 0.300 108 F C 2.400 178.225 175.800 0.041 0.000 1.089 108 F CA 1.616 59.639 58.000 0.038 0.000 1.282 108 F CB -1.239 37.782 39.000 0.035 0.000 1.010 108 F HN -0.060 nan 8.300 nan 0.000 0.485 109 V N 0.204 120.223 119.914 0.176 0.000 2.295 109 V HA -0.280 3.841 4.120 0.002 0.000 0.246 109 V C 2.364 178.515 176.094 0.095 0.000 1.049 109 V CA 1.667 64.035 62.300 0.114 0.000 1.024 109 V CB -0.748 31.123 31.823 0.081 0.000 0.648 109 V HN 0.315 nan 8.190 nan 0.000 0.447 110 L N 0.073 121.353 121.223 0.095 0.000 2.027 110 L HA -0.090 4.251 4.340 0.002 0.000 0.206 110 L C 2.773 179.786 176.870 0.238 0.000 1.074 110 L CA 1.529 56.461 54.840 0.154 0.000 0.745 110 L CB -0.853 41.302 42.059 0.159 0.000 0.898 110 L HN 0.341 nan 8.230 nan 0.000 0.433 111 A N 0.391 123.311 122.820 0.166 0.000 1.933 111 A HA -0.140 4.181 4.320 0.002 0.000 0.218 111 A C 2.332 180.005 177.584 0.148 0.000 1.175 111 A CA 1.726 53.864 52.037 0.169 0.000 0.628 111 A CB -1.223 17.800 19.000 0.038 0.000 0.814 111 A HN 0.462 nan 8.150 nan 0.000 0.444 112 G N -1.307 107.568 108.800 0.124 0.000 2.509 112 G HA2 0.154 4.115 3.960 0.002 0.000 0.218 112 G HA3 0.154 4.115 3.960 0.002 0.000 0.218 112 G C 1.223 176.159 174.900 0.061 0.000 1.124 112 G CA 1.093 46.254 45.100 0.103 0.000 0.776 112 G HN 0.856 nan 8.290 nan 0.000 0.547 113 A N -0.745 122.098 122.820 0.039 0.000 2.390 113 A HA 0.792 5.113 4.320 0.002 0.000 0.232 113 A C 1.190 178.737 177.584 -0.062 0.000 1.233 113 A CA 0.789 52.819 52.037 -0.012 0.000 0.907 113 A CB 0.234 19.218 19.000 -0.026 0.000 0.967 113 A HN 0.586 nan 8.150 nan 0.000 0.512 114 A N -0.542 122.248 122.820 -0.049 0.000 2.306 114 A HA 0.638 4.959 4.320 0.002 0.000 0.330 114 A C 0.765 178.331 177.584 -0.030 0.000 1.146 114 A CA -0.293 51.669 52.037 -0.126 0.000 0.827 114 A CB 0.704 19.579 19.000 -0.207 0.000 1.178 114 A HN 0.043 nan 8.150 nan 0.000 0.490 115 E N 0.243 120.412 120.200 -0.051 0.000 2.086 115 E HA 0.022 4.373 4.350 0.002 0.000 0.190 115 E C 0.561 177.182 176.600 0.035 0.000 0.975 115 E CA 1.396 57.792 56.400 -0.006 0.000 0.813 115 E CB 0.201 29.887 29.700 -0.022 0.000 0.768 115 E HN 0.857 nan 8.360 nan 0.000 0.457 116 E N -1.886 118.351 120.200 0.061 0.000 2.445 116 E HA 0.548 4.899 4.350 0.002 0.000 0.273 116 E C 0.057 176.795 176.600 0.230 0.000 0.961 116 E CA -0.942 55.526 56.400 0.113 0.000 0.807 116 E CB 0.658 30.408 29.700 0.084 0.000 1.362 116 E HN -0.033 nan 8.360 nan 0.000 0.453 117 G N 1.093 110.015 108.800 0.205 0.000 2.093 117 G HA2 0.241 4.201 3.960 0.002 0.000 0.250 117 G HA3 0.241 4.201 3.960 0.002 0.000 0.250 117 G C -0.562 174.558 174.900 0.367 0.000 1.056 117 G CA 0.750 45.993 45.100 0.239 0.000 0.916 117 G HN 0.454 nan 8.290 nan 0.000 0.421 118 F N 1.201 121.160 119.950 0.015 0.000 2.645 118 F HA 0.829 5.356 4.527 0.001 0.000 0.310 118 F C -1.056 174.368 175.800 -0.628 0.000 1.102 118 F CA -2.312 55.558 58.000 -0.218 0.000 0.952 118 F CB 2.014 40.938 39.000 -0.126 0.000 1.326 118 F HN 0.445 nan 8.300 nan 0.000 0.456 119 M N 2.839 121.869 119.600 -0.949 0.000 2.326 119 M HA 0.654 5.135 4.480 0.002 0.000 0.306 119 M C -0.751 175.397 176.300 -0.253 0.000 1.054 119 M CA -0.303 54.545 55.300 -0.752 0.000 0.922 119 M CB 2.035 34.091 32.600 -0.908 0.000 1.632 119 M HN 1.005 nan 8.290 nan 0.000 0.436 120 T N 0.946 115.414 114.554 -0.144 0.000 2.883 120 T HA 0.868 5.219 4.350 0.002 0.000 0.284 120 T C 0.740 175.393 174.700 -0.078 0.000 1.041 120 T CA -0.311 61.760 62.100 -0.049 0.000 1.007 120 T CB 1.168 70.064 68.868 0.046 0.000 1.220 120 T HN 0.660 nan 8.240 nan 0.000 0.552 121 A N -0.115 122.679 122.820 -0.044 0.000 1.898 121 A HA 0.001 4.322 4.320 0.002 0.000 0.216 121 A C 2.199 179.758 177.584 -0.041 0.000 1.181 121 A CA 1.802 53.814 52.037 -0.043 0.000 0.620 121 A CB -1.253 17.731 19.000 -0.027 0.000 0.819 121 A HN 1.020 nan 8.150 nan 0.000 0.442 122 E N -0.649 119.536 120.200 -0.025 0.000 2.065 122 E HA -0.270 4.081 4.350 0.002 0.000 0.201 122 E C 1.889 178.464 176.600 -0.041 0.000 1.016 122 E CA 1.765 58.152 56.400 -0.021 0.000 0.818 122 E CB -0.225 29.476 29.700 0.001 0.000 0.749 122 E HN 0.459 nan 8.360 nan 0.000 0.453 123 L N 0.332 121.518 121.223 -0.062 0.000 2.093 123 L HA -0.049 4.292 4.340 0.002 0.000 0.208 123 L C 2.149 178.936 176.870 -0.139 0.000 1.085 123 L CA 2.017 56.784 54.840 -0.122 0.000 0.755 123 L CB -0.488 41.431 42.059 -0.233 0.000 0.904 123 L HN 0.161 nan 8.230 nan 0.000 0.435 124 A N -0.758 121.984 122.820 -0.130 0.000 1.929 124 A HA 0.043 4.364 4.320 0.002 0.000 0.216 124 A C 2.322 179.857 177.584 -0.082 0.000 1.176 124 A CA 1.159 53.123 52.037 -0.121 0.000 0.628 124 A CB -1.443 17.485 19.000 -0.119 0.000 0.816 124 A HN 0.486 nan 8.150 nan 0.000 0.444 125 G N 0.026 108.788 108.800 -0.064 0.000 2.491 125 G HA2 -0.209 3.752 3.960 0.002 0.000 0.218 125 G HA3 -0.209 3.752 3.960 0.002 0.000 0.218 125 G C 1.547 176.421 174.900 -0.043 0.000 1.180 125 G CA 1.518 46.590 45.100 -0.046 0.000 0.774 125 G HN 0.305 nan 8.290 nan 0.000 0.562 126 V N 1.437 121.320 119.914 -0.052 0.000 2.231 126 V HA -0.282 3.839 4.120 0.002 0.000 0.250 126 V C 2.837 178.904 176.094 -0.046 0.000 1.058 126 V CA 2.142 64.411 62.300 -0.053 0.000 1.022 126 V CB -0.591 31.197 31.823 -0.060 0.000 0.640 126 V HN 0.440 nan 8.190 nan 0.000 0.445 127 I N -0.544 119.987 120.570 -0.065 0.000 2.163 127 I HA -0.318 3.853 4.170 0.002 0.000 0.243 127 I C 2.557 178.681 176.117 0.013 0.000 1.085 127 I CA 1.900 63.169 61.300 -0.052 0.000 1.347 127 I CB -0.495 37.435 38.000 -0.117 0.000 1.044 127 I HN 0.280 nan 8.210 nan 0.000 0.408 128 K N 0.564 120.966 120.400 0.004 0.000 2.063 128 K HA -0.158 4.163 4.320 0.002 0.000 0.208 128 K C 2.237 178.875 176.600 0.063 0.000 1.048 128 K CA 1.413 57.731 56.287 0.052 0.000 0.928 128 K CB -0.181 32.330 32.500 0.017 0.000 0.713 128 K HN 0.266 nan 8.250 nan 0.000 0.442 129 R N 0.463 120.975 120.500 0.020 0.000 2.115 129 R HA -0.012 4.329 4.340 0.002 0.000 0.226 129 R C 2.286 178.596 176.300 0.017 0.000 1.100 129 R CA 0.868 56.970 56.100 0.003 0.000 0.980 129 R CB -0.363 29.922 30.300 -0.027 0.000 0.875 129 R HN 0.119 nan 8.270 nan 0.000 0.445 130 L N -0.300 120.946 121.223 0.038 0.000 1.970 130 L HA -0.220 4.121 4.340 0.002 0.000 0.212 130 L C 2.482 179.450 176.870 0.164 0.000 1.071 130 L CA 1.524 56.418 54.840 0.090 0.000 0.751 130 L CB -0.654 41.460 42.059 0.092 0.000 0.889 130 L HN 0.413 nan 8.230 nan 0.000 0.432 131 W N 1.508 122.789 121.300 -0.032 0.000 2.364 131 W HA -0.250 4.411 4.660 0.002 0.000 0.281 131 W C 2.342 178.832 176.519 -0.049 0.000 1.219 131 W CA 1.438 58.748 57.345 -0.059 0.000 1.220 131 W CB 0.101 29.504 29.460 -0.095 0.000 1.127 131 W HN 0.174 nan 8.180 nan 0.000 0.556 132 K N 0.703 121.089 120.400 -0.024 0.000 2.366 132 K HA -0.113 4.208 4.320 0.002 0.000 0.198 132 K C 0.098 176.638 176.600 -0.101 0.000 1.044 132 K CA 0.400 56.617 56.287 -0.116 0.000 0.973 132 K CB -0.287 32.189 32.500 -0.040 0.000 0.767 132 K HN -0.086 nan 8.250 nan 0.000 0.475 133 D N -0.308 120.068 120.400 -0.040 0.000 2.443 133 D HA -0.059 4.581 4.640 0.002 0.000 0.239 133 D C 1.045 177.336 176.300 -0.016 0.000 1.136 133 D CA 0.184 54.188 54.000 0.006 0.000 0.879 133 D CB 1.229 42.088 40.800 0.099 0.000 1.195 133 D HN 0.139 nan 8.370 nan 0.000 0.443 134 S N 1.818 117.518 115.700 -0.001 0.000 2.402 134 S HA -0.062 4.409 4.470 0.002 0.000 0.229 134 S C 1.946 176.551 174.600 0.008 0.000 1.021 134 S CA 0.721 58.913 58.200 -0.014 0.000 0.974 134 S CB -0.177 63.018 63.200 -0.009 0.000 0.800 134 S HN 0.559 nan 8.310 nan 0.000 0.484 135 G N 0.980 109.807 108.800 0.045 0.000 2.492 135 G HA2 0.071 4.032 3.960 0.002 0.000 0.214 135 G HA3 0.071 4.032 3.960 0.002 0.000 0.214 135 G C 1.360 176.281 174.900 0.035 0.000 1.147 135 G CA 0.583 45.702 45.100 0.032 0.000 0.809 135 G HN 0.444 nan 8.290 nan 0.000 0.533 136 V N 0.732 120.699 119.914 0.089 0.000 2.287 136 V HA -0.233 3.888 4.120 0.002 0.000 0.248 136 V C 2.981 179.121 176.094 0.077 0.000 1.053 136 V CA 1.831 64.198 62.300 0.111 0.000 1.027 136 V CB -0.479 31.445 31.823 0.169 0.000 0.646 136 V HN 0.255 nan 8.190 nan 0.000 0.447 137 Q N 0.080 119.859 119.800 -0.034 0.000 2.045 137 Q HA -0.257 4.084 4.340 0.002 0.000 0.206 137 Q C 2.508 178.559 176.000 0.084 0.000 0.991 137 Q CA 2.317 58.088 55.803 -0.054 0.000 0.851 137 Q CB -0.972 27.671 28.738 -0.158 0.000 0.911 137 Q HN 0.652 nan 8.270 nan 0.000 0.418 138 A N 0.334 123.185 122.820 0.051 0.000 1.927 138 A HA -0.264 4.057 4.320 0.002 0.000 0.220 138 A C 2.563 180.204 177.584 0.095 0.000 1.185 138 A CA 1.844 53.916 52.037 0.059 0.000 0.639 138 A CB -1.284 17.731 19.000 0.026 0.000 0.820 138 A HN 0.545 nan 8.150 nan 0.000 0.451 139 C N -1.907 117.465 119.300 0.121 0.000 2.446 139 C HA -0.060 4.401 4.460 0.002 0.000 0.277 139 C C 2.396 177.578 174.990 0.320 0.000 1.275 139 C CA 0.969 60.093 59.018 0.176 0.000 1.727 139 C CB -1.603 26.199 27.740 0.102 0.000 2.010 139 C HN 0.674 nan 8.230 nan 0.000 0.486 140 F N 2.614 122.678 119.950 0.190 0.000 2.115 140 F HA -0.172 4.356 4.527 0.002 0.000 0.300 140 F C 2.049 177.925 175.800 0.127 0.000 1.092 140 F CA 2.284 60.414 58.000 0.215 0.000 1.245 140 F CB -0.613 38.496 39.000 0.181 0.000 0.995 140 F HN 0.294 nan 8.300 nan 0.000 0.481 141 N N 0.313 118.990 118.700 -0.038 0.000 2.463 141 N HA -0.020 4.720 4.740 0.002 0.000 0.181 141 N C 0.994 176.420 175.510 -0.140 0.000 1.078 141 N CA 0.554 53.500 53.050 -0.174 0.000 0.902 141 N CB -0.240 38.226 38.487 -0.033 0.000 0.970 141 N HN 0.395 nan 8.380 nan 0.000 0.451 142 R N 0.708 121.183 120.500 -0.042 0.000 2.555 142 R HA 0.126 4.467 4.340 0.002 0.000 0.272 142 R C 1.521 177.754 176.300 -0.112 0.000 1.089 142 R CA -0.084 56.003 56.100 -0.023 0.000 1.126 142 R CB 0.016 30.360 30.300 0.073 0.000 1.250 142 R HN 0.179 nan 8.270 nan 0.000 0.551 143 S N 1.219 116.712 115.700 -0.344 0.000 2.419 143 S HA -0.271 4.200 4.470 0.002 0.000 0.235 143 S C 1.898 176.133 174.600 -0.608 0.000 1.019 143 S CA 1.142 58.886 58.200 -0.760 0.000 0.982 143 S CB -0.242 62.570 63.200 -0.646 0.000 0.789 143 S HN 0.518 nan 8.310 nan 0.000 0.490 144 R N 1.658 121.957 120.500 -0.334 0.000 2.249 144 R HA -0.032 4.309 4.340 0.002 0.000 0.230 144 R C 1.510 177.714 176.300 -0.161 0.000 1.121 144 R CA 1.641 57.603 56.100 -0.229 0.000 0.997 144 R CB -0.657 29.533 30.300 -0.183 0.000 0.867 144 R HN 0.535 nan 8.270 nan 0.000 0.465 145 E N 0.006 120.127 120.200 -0.133 0.000 2.442 145 E HA 0.011 4.362 4.350 0.002 0.000 0.195 145 E C -0.348 176.335 176.600 0.139 0.000 1.030 145 E CA 0.342 56.758 56.400 0.027 0.000 0.869 145 E CB 0.141 29.907 29.700 0.111 0.000 0.857 145 E HN 0.525 nan 8.360 nan 0.000 0.505 146 Y N -1.789 118.510 120.300 -0.002 0.000 2.857 146 Y HA 0.481 5.032 4.550 0.001 0.000 0.318 146 Y C -0.566 175.343 175.900 0.017 0.000 1.313 146 Y CA -1.593 56.515 58.100 0.014 0.000 1.117 146 Y CB 0.396 38.872 38.460 0.028 0.000 1.344 146 Y HN -0.363 nan 8.280 nan 0.000 0.525 147 Q N 1.810 121.716 119.800 0.177 0.000 2.331 147 Q HA 0.498 4.839 4.340 0.002 0.000 0.257 147 Q C -1.617 174.463 176.000 0.133 0.000 0.957 147 Q CA -0.390 55.467 55.803 0.090 0.000 0.923 147 Q CB 1.897 30.690 28.738 0.092 0.000 1.212 147 Q HN 0.727 nan 8.270 nan 0.000 0.443 148 L N 2.956 124.199 121.223 0.034 0.000 2.436 148 L HA 0.420 4.761 4.340 0.002 0.000 0.268 148 L C -1.182 175.727 176.870 0.065 0.000 0.974 148 L CA -0.533 54.360 54.840 0.089 0.000 0.826 148 L CB 1.801 43.916 42.059 0.093 0.000 1.291 148 L HN 0.375 nan 8.230 nan 0.000 0.406 149 N N 3.259 122.014 118.700 0.092 0.000 2.359 149 N HA -0.009 4.732 4.740 0.002 0.000 0.261 149 N C 0.382 175.936 175.510 0.075 0.000 1.267 149 N CA 0.150 53.248 53.050 0.080 0.000 0.864 149 N CB 0.310 38.857 38.487 0.101 0.000 1.063 149 N HN 0.562 nan 8.380 nan 0.000 0.474 150 D N 0.651 121.078 120.400 0.044 0.000 2.228 150 D HA -0.127 4.514 4.640 0.002 0.000 0.203 150 D C 0.700 177.020 176.300 0.035 0.000 0.988 150 D CA 1.239 55.259 54.000 0.034 0.000 0.864 150 D CB -0.036 40.770 40.800 0.009 0.000 0.928 150 D HN 0.417 nan 8.370 nan 0.000 0.469 151 S N 0.121 115.827 115.700 0.011 0.000 2.607 151 S HA 0.101 4.572 4.470 0.002 0.000 0.224 151 S C 1.888 176.497 174.600 0.015 0.000 0.969 151 S CA 0.324 58.490 58.200 -0.056 0.000 0.927 151 S CB 0.195 63.310 63.200 -0.142 0.000 0.772 151 S HN 0.314 nan 8.310 nan 0.000 0.533 152 A N 2.025 124.896 122.820 0.086 0.000 1.873 152 A HA -0.081 4.240 4.320 0.002 0.000 0.218 152 A C 2.369 179.871 177.584 -0.137 0.000 1.193 152 A CA 1.848 53.909 52.037 0.041 0.000 0.629 152 A CB -1.143 17.934 19.000 0.127 0.000 0.826 152 A HN 0.559 nan 8.150 nan 0.000 0.447 153 A N -1.902 120.914 122.820 -0.007 0.000 1.898 153 A HA -0.057 4.264 4.320 0.002 0.000 0.216 153 A C 2.095 179.650 177.584 -0.048 0.000 1.181 153 A CA 1.596 53.613 52.037 -0.033 0.000 0.620 153 A CB -0.865 18.280 19.000 0.241 0.000 0.819 153 A HN 0.741 nan 8.150 nan 0.000 0.442 154 Y N -0.636 119.582 120.300 -0.137 0.000 2.069 154 Y HA -0.350 4.200 4.550 0.001 0.000 0.278 154 Y C 2.174 177.959 175.900 -0.190 0.000 1.175 154 Y CA 2.478 60.452 58.100 -0.210 0.000 1.134 154 Y CB -0.444 37.797 38.460 -0.365 0.000 0.965 154 Y HN 0.392 nan 8.280 nan 0.000 0.498 155 Y N -0.755 119.470 120.300 -0.124 0.000 2.231 155 Y HA -0.094 4.457 4.550 0.001 0.000 0.294 155 Y C 2.365 178.053 175.900 -0.354 0.000 1.120 155 Y CA 1.252 59.226 58.100 -0.210 0.000 1.141 155 Y CB -0.930 37.482 38.460 -0.081 0.000 1.022 155 Y HN 0.071 nan 8.280 nan 0.000 0.523 156 L N -0.000 121.000 121.223 -0.371 0.000 2.046 156 L HA -0.258 4.083 4.340 0.002 0.000 0.208 156 L C 1.954 178.500 176.870 -0.541 0.000 1.077 156 L CA 1.336 55.741 54.840 -0.725 0.000 0.747 156 L CB -0.662 40.409 42.059 -1.646 0.000 0.896 156 L HN 0.227 nan 8.230 nan 0.000 0.432 157 N N -0.055 118.470 118.700 -0.292 0.000 2.272 157 N HA -0.180 4.561 4.740 0.002 0.000 0.185 157 N C 0.647 176.091 175.510 -0.111 0.000 1.014 157 N CA 1.290 54.314 53.050 -0.044 0.000 0.870 157 N CB -0.365 38.164 38.487 0.070 0.000 0.975 157 N HN 0.338 nan 8.380 nan 0.000 0.433 158 D N -0.157 120.118 120.400 -0.209 0.000 2.587 158 D HA 0.106 4.747 4.640 0.002 0.000 0.233 158 D C 1.354 177.551 176.300 -0.173 0.000 1.213 158 D CA -0.201 53.678 54.000 -0.201 0.000 0.827 158 D CB 0.036 40.653 40.800 -0.305 0.000 1.006 158 D HN 0.063 nan 8.370 nan 0.000 0.490 159 L N 0.156 121.286 121.223 -0.155 0.000 2.156 159 L HA -0.058 4.283 4.340 0.002 0.000 0.208 159 L C 1.607 178.393 176.870 -0.141 0.000 1.095 159 L CA 1.613 56.355 54.840 -0.163 0.000 0.770 159 L CB -0.040 41.923 42.059 -0.160 0.000 0.914 159 L HN -0.044 nan 8.230 nan 0.000 0.439 160 D N -0.617 119.723 120.400 -0.101 0.000 2.123 160 D HA -0.285 4.356 4.640 0.002 0.000 0.196 160 D C 2.369 178.619 176.300 -0.083 0.000 0.992 160 D CA 1.446 55.399 54.000 -0.079 0.000 0.833 160 D CB -0.096 40.675 40.800 -0.049 0.000 0.954 160 D HN 0.278 nan 8.370 nan 0.000 0.455 161 R N -0.001 120.444 120.500 -0.091 0.000 2.083 161 R HA -0.137 4.204 4.340 0.002 0.000 0.237 161 R C 2.368 178.559 176.300 -0.182 0.000 1.137 161 R CA 1.591 57.642 56.100 -0.082 0.000 0.951 161 R CB -0.398 29.871 30.300 -0.052 0.000 0.851 161 R HN 0.311 nan 8.270 nan 0.000 0.434 162 I N 0.630 120.980 120.570 -0.367 0.000 2.394 162 I HA -0.172 3.999 4.170 0.002 0.000 0.251 162 I C 2.367 178.240 176.117 -0.407 0.000 1.136 162 I CA 1.110 61.937 61.300 -0.790 0.000 1.425 162 I CB -0.205 37.425 38.000 -0.616 0.000 1.079 162 I HN 0.295 nan 8.210 nan 0.000 0.425 163 A N -0.361 122.339 122.820 -0.200 0.000 2.119 163 A HA -0.037 4.284 4.320 0.002 0.000 0.217 163 A C 1.273 178.835 177.584 -0.036 0.000 1.153 163 A CA 0.484 52.454 52.037 -0.112 0.000 0.692 163 A CB -0.214 18.717 19.000 -0.115 0.000 0.799 163 A HN 0.281 nan 8.150 nan 0.000 0.458 164 Q N -0.156 119.643 119.800 -0.002 0.000 2.432 164 Q HA 0.103 4.444 4.340 0.002 0.000 0.264 164 Q C -1.584 174.471 176.000 0.091 0.000 1.035 164 Q CA -1.348 54.481 55.803 0.043 0.000 0.908 164 Q CB 0.263 29.037 28.738 0.060 0.000 1.280 164 Q HN 0.272 nan 8.270 nan 0.000 0.455 165 P HA -0.037 nan 4.420 nan 0.000 0.230 165 P C -0.285 177.075 177.300 0.100 0.000 1.168 165 P CA 0.798 63.945 63.100 0.079 0.000 0.793 165 P CB 0.360 32.088 31.700 0.046 0.000 0.851 166 N N -0.655 118.102 118.700 0.095 0.000 2.378 166 N HA 0.008 4.749 4.740 0.002 0.000 0.243 166 N C -0.009 175.576 175.510 0.125 0.000 1.137 166 N CA -0.639 52.466 53.050 0.092 0.000 0.862 166 N CB -1.163 37.357 38.487 0.056 0.000 1.116 166 N HN 0.104 nan 8.380 nan 0.000 0.499 167 Y N 1.744 122.074 120.300 0.051 0.000 2.721 167 Y HA 0.105 4.656 4.550 0.002 0.000 0.329 167 Y C -0.341 175.576 175.900 0.028 0.000 1.211 167 Y CA -0.452 57.675 58.100 0.046 0.000 1.512 167 Y CB 0.155 38.660 38.460 0.076 0.000 1.249 167 Y HN 0.109 nan 8.280 nan 0.000 0.549 168 I N 9.630 129.997 120.570 -0.338 0.000 2.410 168 I HA 0.296 4.467 4.170 0.002 0.000 0.286 168 I C -2.327 173.388 176.117 -0.670 0.000 1.009 168 I CA -2.384 58.618 61.300 -0.498 0.000 1.111 168 I CB 1.744 39.630 38.000 -0.189 0.000 1.262 168 I HN 0.539 nan 8.210 nan 0.000 0.443 169 P HA -0.006 nan 4.420 nan 0.000 0.260 169 P C 0.194 177.409 177.300 -0.141 0.000 1.185 169 P CA 0.010 62.871 63.100 -0.399 0.000 0.763 169 P CB 0.111 31.642 31.700 -0.283 0.000 0.776 170 T N 0.342 114.887 114.554 -0.014 0.000 2.791 170 T HA -0.045 4.306 4.350 0.002 0.000 0.323 170 T C 1.315 175.973 174.700 -0.069 0.000 1.082 170 T CA -0.045 62.048 62.100 -0.012 0.000 1.084 170 T CB 0.335 69.227 68.868 0.040 0.000 0.992 170 T HN 0.406 nan 8.240 nan 0.000 0.547 171 Q N 0.060 119.808 119.800 -0.086 0.000 2.062 171 Q HA -0.277 4.064 4.340 0.002 0.000 0.209 171 Q C 2.460 178.354 176.000 -0.177 0.000 0.996 171 Q CA 2.337 58.047 55.803 -0.155 0.000 0.859 171 Q CB -0.296 28.377 28.738 -0.108 0.000 0.920 171 Q HN 0.859 nan 8.270 nan 0.000 0.415 172 Q N 0.854 120.594 119.800 -0.099 0.000 2.096 172 Q HA -0.200 4.141 4.340 0.002 0.000 0.204 172 Q C 1.319 177.234 176.000 -0.142 0.000 0.982 172 Q CA 1.951 57.681 55.803 -0.122 0.000 0.850 172 Q CB -0.141 28.573 28.738 -0.041 0.000 0.901 172 Q HN 0.331 nan 8.270 nan 0.000 0.422 173 D N -0.957 119.469 120.400 0.043 0.000 2.123 173 D HA -0.142 4.499 4.640 0.002 0.000 0.196 173 D C 1.818 178.133 176.300 0.025 0.000 0.992 173 D CA 1.391 55.504 54.000 0.187 0.000 0.833 173 D CB -0.153 40.819 40.800 0.287 0.000 0.954 173 D HN 0.188 nan 8.370 nan 0.000 0.455 174 V N 0.704 120.511 119.914 -0.180 0.000 2.379 174 V HA -0.158 3.963 4.120 0.002 0.000 0.245 174 V C 2.596 178.452 176.094 -0.397 0.000 1.044 174 V CA 0.881 62.938 62.300 -0.404 0.000 1.036 174 V CB -0.363 31.012 31.823 -0.748 0.000 0.664 174 V HN 0.172 nan 8.190 nan 0.000 0.453 175 L N -0.393 120.615 121.223 -0.360 0.000 2.127 175 L HA -0.154 4.187 4.340 0.002 0.000 0.211 175 L C 2.689 179.412 176.870 -0.245 0.000 1.089 175 L CA 1.313 55.975 54.840 -0.296 0.000 0.757 175 L CB -0.535 41.363 42.059 -0.269 0.000 0.899 175 L HN 0.232 nan 8.230 nan 0.000 0.434 176 R N -0.039 120.293 120.500 -0.280 0.000 2.235 176 R HA -0.017 4.324 4.340 0.002 0.000 0.213 176 R C 0.925 177.196 176.300 -0.049 0.000 1.059 176 R CA 0.713 56.630 56.100 -0.305 0.000 0.997 176 R CB -1.137 28.721 30.300 -0.737 0.000 0.884 176 R HN 0.473 nan 8.270 nan 0.000 0.462 177 T N 0.721 115.314 114.554 0.064 0.000 2.867 177 T HA -0.076 4.275 4.350 0.002 0.000 0.290 177 T C 0.454 175.194 174.700 0.068 0.000 1.025 177 T CA -0.121 62.044 62.100 0.109 0.000 1.146 177 T CB 0.792 69.741 68.868 0.136 0.000 1.024 177 T HN -0.107 nan 8.240 nan 0.000 0.519 178 R N 3.316 123.873 120.500 0.096 0.000 2.215 178 R HA 0.485 4.826 4.340 0.002 0.000 0.337 178 R C -1.168 175.176 176.300 0.074 0.000 1.010 178 R CA -0.677 55.466 56.100 0.071 0.000 0.871 178 R CB 0.610 30.954 30.300 0.073 0.000 1.134 178 R HN 0.672 nan 8.270 nan 0.000 0.477 179 V N 4.885 124.841 119.914 0.071 0.000 2.581 179 V HA 0.344 4.465 4.120 0.002 0.000 0.303 179 V C -0.082 176.044 176.094 0.053 0.000 1.041 179 V CA -1.017 61.323 62.300 0.068 0.000 0.907 179 V CB 2.159 34.036 31.823 0.091 0.000 0.994 179 V HN 0.546 nan 8.190 nan 0.000 0.442 180 K N 1.994 122.421 120.400 0.044 0.000 2.383 180 K HA 0.358 4.679 4.320 0.002 0.000 0.286 180 K C -0.042 176.583 176.600 0.042 0.000 1.051 180 K CA 0.181 56.493 56.287 0.042 0.000 0.974 180 K CB 0.695 33.217 32.500 0.037 0.000 0.968 180 K HN 0.659 nan 8.250 nan 0.000 0.475 181 T N 2.360 116.943 114.554 0.048 0.000 2.786 181 T HA 0.159 4.510 4.350 0.002 0.000 0.283 181 T C -0.503 174.229 174.700 0.053 0.000 0.992 181 T CA -0.715 61.415 62.100 0.050 0.000 0.954 181 T CB 0.607 69.508 68.868 0.056 0.000 0.934 181 T HN 0.486 nan 8.240 nan 0.000 0.440 182 T N 4.606 119.189 114.554 0.048 0.000 2.769 182 T HA 0.555 4.906 4.350 0.002 0.000 0.293 182 T C 0.664 175.399 174.700 0.059 0.000 0.931 182 T CA 0.757 62.889 62.100 0.053 0.000 1.139 182 T CB -0.096 68.797 68.868 0.042 0.000 0.881 182 T HN 1.232 nan 8.240 nan 0.000 0.532 183 G N 3.147 111.995 108.800 0.080 0.000 2.655 183 G HA2 -0.121 3.840 3.960 0.002 0.000 0.680 183 G HA3 -0.121 3.840 3.960 0.002 0.000 0.680 183 G C -0.283 174.676 174.900 0.099 0.000 1.302 183 G CA -0.605 44.548 45.100 0.088 0.000 0.872 183 G HN 1.046 nan 8.290 nan 0.000 0.540 184 I N -0.964 119.672 120.570 0.111 0.000 2.710 184 I HA 0.557 4.728 4.170 0.002 0.000 0.286 184 I C -0.249 175.927 176.117 0.098 0.000 1.181 184 I CA -0.179 61.205 61.300 0.140 0.000 1.430 184 I CB 0.773 38.903 38.000 0.216 0.000 1.367 184 I HN 0.523 nan 8.210 nan 0.000 0.577 185 V N 6.922 126.894 119.914 0.096 0.000 2.577 185 V HA 0.376 4.497 4.120 0.002 0.000 0.303 185 V C -0.258 175.816 176.094 -0.033 0.000 1.042 185 V CA -0.588 61.730 62.300 0.030 0.000 0.872 185 V CB 1.664 33.508 31.823 0.035 0.000 0.998 185 V HN 0.856 nan 8.190 nan 0.000 0.423 186 E N 2.813 122.934 120.200 -0.132 0.000 2.176 186 E HA 0.660 5.010 4.350 0.002 0.000 0.267 186 E C -1.169 175.273 176.600 -0.262 0.000 0.893 186 E CA -0.308 55.894 56.400 -0.330 0.000 0.761 186 E CB 1.820 31.250 29.700 -0.450 0.000 1.133 186 E HN 0.677 nan 8.360 nan 0.000 0.409 187 T N 3.497 117.951 114.554 -0.167 0.000 2.893 187 T HA 0.390 4.741 4.350 0.002 0.000 0.293 187 T C -1.202 173.642 174.700 0.240 0.000 1.027 187 T CA -0.598 61.495 62.100 -0.013 0.000 0.988 187 T CB 1.047 69.946 68.868 0.051 0.000 1.043 187 T HN 0.424 nan 8.240 nan 0.000 0.461 188 H N 1.857 120.963 119.070 0.059 0.000 2.609 188 H HA 0.616 5.173 4.556 0.002 0.000 0.344 188 H C -1.030 174.410 175.328 0.188 0.000 1.040 188 H CA -0.999 55.084 56.048 0.057 0.000 1.216 188 H CB 1.497 31.267 29.762 0.013 0.000 1.529 188 H HN 0.619 nan 8.280 nan 0.000 0.519 189 F N -0.574 119.465 119.950 0.149 0.000 2.654 189 F HA 0.514 5.042 4.527 0.002 0.000 0.308 189 F C -1.217 174.622 175.800 0.066 0.000 1.108 189 F CA -0.944 57.100 58.000 0.074 0.000 0.957 189 F CB 1.556 40.568 39.000 0.019 0.000 1.309 189 F HN 0.177 nan 8.300 nan 0.000 0.446 190 T N 3.292 117.933 114.554 0.146 0.000 2.771 190 T HA 0.611 4.962 4.350 0.002 0.000 0.281 190 T C -1.855 172.964 174.700 0.199 0.000 0.982 190 T CA -0.236 61.864 62.100 0.000 0.000 0.978 190 T CB 0.778 69.497 68.868 -0.249 0.000 0.930 190 T HN 0.593 nan 8.240 nan 0.000 0.447 191 F N 2.943 122.919 119.950 0.043 0.000 2.588 191 F HA 0.400 4.928 4.527 0.002 0.000 0.314 191 F C -0.097 175.768 175.800 0.109 0.000 1.134 191 F CA -1.386 56.636 58.000 0.037 0.000 0.961 191 F CB 1.240 40.140 39.000 -0.168 0.000 1.239 191 F HN 0.596 nan 8.300 nan 0.000 0.448 192 K N 4.227 124.411 120.400 -0.360 0.000 3.071 192 K HA -0.287 4.034 4.320 0.002 0.000 0.262 192 K C 0.009 176.538 176.600 -0.119 0.000 0.977 192 K CA 1.286 57.382 56.287 -0.319 0.000 0.721 192 K CB -1.210 30.992 32.500 -0.496 0.000 1.293 192 K HN 0.872 nan 8.250 nan 0.000 0.475 193 D N -0.873 119.498 120.400 -0.048 0.000 3.012 193 D HA -0.191 4.449 4.640 0.002 0.000 0.222 193 D C -0.765 175.559 176.300 0.040 0.000 1.167 193 D CA 1.488 55.490 54.000 0.003 0.000 0.854 193 D CB -0.430 40.376 40.800 0.010 0.000 1.107 193 D HN 0.458 nan 8.370 nan 0.000 0.421 194 L N 0.390 121.618 121.223 0.008 0.000 2.317 194 L HA 0.453 4.793 4.340 0.002 0.000 0.281 194 L C 0.493 177.317 176.870 -0.076 0.000 1.024 194 L CA -0.884 53.940 54.840 -0.026 0.000 0.810 194 L CB 1.788 43.753 42.059 -0.157 0.000 1.240 194 L HN 0.068 nan 8.230 nan 0.000 0.427 195 H N 3.483 122.431 119.070 -0.203 0.000 2.724 195 H HA 0.261 4.818 4.556 0.002 0.000 0.278 195 H C -0.928 174.197 175.328 -0.339 0.000 1.159 195 H CA -0.418 55.515 56.048 -0.191 0.000 1.254 195 H CB 0.476 30.145 29.762 -0.155 0.000 1.412 195 H HN 0.323 nan 8.280 nan 0.000 0.488 196 F N 3.404 123.133 119.950 -0.369 0.000 2.438 196 F HA 0.129 4.657 4.527 0.002 0.000 0.356 196 F C 0.824 176.383 175.800 -0.401 0.000 1.099 196 F CA -0.445 57.265 58.000 -0.483 0.000 1.185 196 F CB 0.814 39.175 39.000 -1.064 0.000 1.115 196 F HN 0.180 nan 8.300 nan 0.000 0.526 197 K N 5.995 126.343 120.400 -0.087 0.000 2.414 197 K HA 0.314 4.635 4.320 0.002 0.000 0.251 197 K C -0.733 175.988 176.600 0.201 0.000 1.037 197 K CA -0.275 56.000 56.287 -0.021 0.000 0.980 197 K CB 1.742 34.198 32.500 -0.074 0.000 1.280 197 K HN 0.728 nan 8.250 nan 0.000 0.451 198 M N 3.977 123.640 119.600 0.105 0.000 2.101 198 M HA 0.365 4.846 4.480 0.002 0.000 0.340 198 M C -1.532 174.752 176.300 -0.028 0.000 1.057 198 M CA -0.748 54.670 55.300 0.196 0.000 0.984 198 M CB 0.421 33.181 32.600 0.266 0.000 1.560 198 M HN 0.301 nan 8.290 nan 0.000 0.435 199 F N 2.973 123.016 119.950 0.155 0.000 2.385 199 F HA 0.309 4.837 4.527 0.002 0.000 0.360 199 F C 0.157 176.036 175.800 0.131 0.000 1.122 199 F CA -1.107 56.979 58.000 0.143 0.000 1.090 199 F CB 0.508 39.600 39.000 0.153 0.000 1.150 199 F HN 0.463 nan 8.300 nan 0.000 0.472 200 D N 3.840 124.378 120.400 0.229 0.000 2.347 200 D HA 0.322 4.962 4.640 0.002 0.000 0.235 200 D C 0.285 176.710 176.300 0.209 0.000 1.149 200 D CA -0.299 53.808 54.000 0.177 0.000 0.850 200 D CB 1.145 42.009 40.800 0.106 0.000 1.061 200 D HN 0.325 nan 8.370 nan 0.000 0.487 201 V N 2.595 122.643 119.914 0.224 0.000 5.419 201 V HA 0.945 5.065 4.120 0.002 0.000 0.270 201 V C 0.883 177.098 176.094 0.202 0.000 1.335 201 V CA 0.600 63.052 62.300 0.254 0.000 0.646 201 V CB -0.257 31.734 31.823 0.280 0.000 1.265 201 V HN 0.689 nan 8.190 nan 0.000 0.359 202 G N -2.141 106.789 108.800 0.217 0.000 2.341 202 G HA2 0.467 4.428 3.960 0.002 0.000 0.299 202 G HA3 0.467 4.428 3.960 0.002 0.000 0.299 202 G C 0.037 175.037 174.900 0.167 0.000 1.274 202 G CA -0.366 44.830 45.100 0.160 0.000 0.853 202 G HN 1.373 nan 8.290 nan 0.000 0.493 203 G N -0.699 108.185 108.800 0.141 0.000 3.474 203 G HA2 0.389 4.350 3.960 0.002 0.000 0.269 203 G HA3 0.389 4.350 3.960 0.002 0.000 0.269 203 G C 0.608 175.611 174.900 0.173 0.000 1.339 203 G CA 0.261 45.441 45.100 0.133 0.000 1.258 203 G HN 0.332 nan 8.290 nan 0.000 0.560 204 Q N 1.093 121.048 119.800 0.259 0.000 2.247 204 Q HA 0.081 4.422 4.340 0.002 0.000 0.211 204 Q C 0.967 177.105 176.000 0.229 0.000 0.861 204 Q CA -0.454 55.489 55.803 0.233 0.000 0.949 204 Q CB -0.078 28.812 28.738 0.254 0.000 1.115 204 Q HN 0.777 nan 8.270 nan 0.000 0.507 205 R N -0.777 119.905 120.500 0.303 0.000 1.669 205 R HA -0.144 4.196 4.340 0.002 0.000 0.371 205 R C -1.147 175.235 176.300 0.137 0.000 1.277 205 R CA 0.950 57.205 56.100 0.258 0.000 1.232 205 R CB -1.832 28.560 30.300 0.153 0.000 3.486 205 R HN 0.075 nan 8.270 nan 0.000 0.481 206 S N 0.964 116.701 115.700 0.062 0.000 2.727 206 S HA 0.357 4.828 4.470 0.002 0.000 0.278 206 S C -1.376 173.039 174.600 -0.310 0.000 1.186 206 S CA -0.891 57.171 58.200 -0.231 0.000 0.836 206 S CB 1.423 64.296 63.200 -0.545 0.000 1.186 206 S HN 0.608 nan 8.310 nan 0.000 0.499 207 E N 2.020 122.027 120.200 -0.322 0.000 2.383 207 E HA 0.103 4.454 4.350 0.002 0.000 0.264 207 E C 0.209 176.614 176.600 -0.326 0.000 1.050 207 E CA -0.187 56.078 56.400 -0.224 0.000 0.896 207 E CB 0.527 30.137 29.700 -0.151 0.000 0.982 207 E HN 0.536 nan 8.360 nan 0.000 0.424 208 R N 2.777 123.201 120.500 -0.127 0.000 4.113 208 R HA -0.025 4.316 4.340 0.002 0.000 0.179 208 R C 0.481 176.740 176.300 -0.068 0.000 1.781 208 R CA 0.567 56.641 56.100 -0.043 0.000 1.402 208 R CB -0.268 30.125 30.300 0.156 0.000 1.375 208 R HN 0.522 nan 8.270 nan 0.000 0.786 209 K N 0.520 120.814 120.400 -0.177 0.000 1.424 209 K HA -0.044 4.277 4.320 0.002 0.000 0.093 209 K C 0.774 177.281 176.600 -0.155 0.000 2.275 209 K CA 0.065 56.264 56.287 -0.146 0.000 1.003 209 K CB -0.365 32.076 32.500 -0.098 0.000 2.490 209 K HN 0.153 nan 8.250 nan 0.000 0.346 210 K N 0.236 120.454 120.400 -0.305 0.000 2.365 210 K HA 0.181 4.502 4.320 0.002 0.000 0.197 210 K C 0.911 177.287 176.600 -0.374 0.000 1.042 210 K CA 1.325 57.403 56.287 -0.348 0.000 0.987 210 K CB -0.121 32.072 32.500 -0.512 0.000 0.779 210 K HN 0.405 nan 8.250 nan 0.000 0.484 211 W N -0.399 120.792 121.300 -0.180 0.000 2.494 211 W HA 0.123 4.784 4.660 0.001 0.000 0.286 211 W C 1.658 177.930 176.519 -0.411 0.000 1.218 211 W CA -0.184 56.917 57.345 -0.406 0.000 1.313 211 W CB 0.089 29.339 29.460 -0.349 0.000 1.105 211 W HN -0.060 nan 8.180 nan 0.000 0.561 212 I N 0.096 120.623 120.570 -0.073 0.000 2.756 212 I HA -0.262 3.909 4.170 0.002 0.000 0.262 212 I C 2.097 178.050 176.117 -0.274 0.000 1.225 212 I CA 1.188 62.354 61.300 -0.223 0.000 1.472 212 I CB -0.313 37.526 38.000 -0.269 0.000 1.094 212 I HN 0.142 nan 8.210 nan 0.000 0.454 213 H N -0.449 118.545 119.070 -0.127 0.000 2.399 213 H HA 0.092 4.649 4.556 0.002 0.000 0.300 213 H C 1.326 176.583 175.328 -0.118 0.000 1.048 213 H CA 0.193 56.170 56.048 -0.118 0.000 1.370 213 H CB -0.238 29.463 29.762 -0.102 0.000 1.428 213 H HN 0.247 nan 8.280 nan 0.000 0.534 214 C N 0.557 119.871 119.300 0.022 0.000 2.801 214 C HA -0.096 4.365 4.460 0.002 0.000 0.376 214 C C 1.603 176.712 174.990 0.198 0.000 1.323 214 C CA 0.846 59.876 59.018 0.020 0.000 2.170 214 C CB -0.983 26.801 27.740 0.074 0.000 2.650 214 C HN 0.786 nan 8.230 nan 0.000 0.736 215 F N -1.677 118.320 119.950 0.078 0.000 2.498 215 F HA -0.200 4.328 4.527 0.001 0.000 0.563 215 F C 0.782 176.581 175.800 -0.003 0.000 0.514 215 F CA 1.090 59.201 58.000 0.185 0.000 1.189 215 F CB -0.972 38.112 39.000 0.140 0.000 1.924 215 F HN 0.677 nan 8.300 nan 0.000 0.261 216 E N 0.770 121.005 120.200 0.059 0.000 2.216 216 E HA 0.434 4.785 4.350 0.002 0.000 0.279 216 E C 0.851 177.459 176.600 0.014 0.000 0.997 216 E CA 0.499 56.862 56.400 -0.062 0.000 0.817 216 E CB 1.403 31.034 29.700 -0.115 0.000 1.096 216 E HN 0.371 nan 8.360 nan 0.000 0.393 217 G N 2.894 111.708 108.800 0.023 0.000 2.249 217 G HA2 -0.249 3.711 3.960 0.002 0.000 0.273 217 G HA3 -0.249 3.711 3.960 0.002 0.000 0.273 217 G C 0.072 175.006 174.900 0.056 0.000 1.036 217 G CA 0.295 45.419 45.100 0.039 0.000 0.824 217 G HN 0.412 nan 8.290 nan 0.000 0.504 218 V N 0.764 120.743 119.914 0.108 0.000 2.470 218 V HA 0.227 4.347 4.120 0.002 0.000 0.276 218 V C 1.867 178.010 176.094 0.081 0.000 1.040 218 V CA 0.817 63.176 62.300 0.098 0.000 1.008 218 V CB 0.936 32.834 31.823 0.124 0.000 0.990 218 V HN 0.476 nan 8.190 nan 0.000 0.477 219 T N 3.406 117.988 114.554 0.047 0.000 2.770 219 T HA 0.163 4.514 4.350 0.002 0.000 0.263 219 T C 0.625 175.345 174.700 0.033 0.000 1.039 219 T CA 1.315 63.433 62.100 0.031 0.000 1.142 219 T CB 0.117 68.982 68.868 -0.005 0.000 0.868 219 T HN 0.893 nan 8.240 nan 0.000 0.435 220 A N 0.301 123.142 122.820 0.035 0.000 2.517 220 A HA 0.684 5.005 4.320 0.002 0.000 0.297 220 A C -1.367 176.212 177.584 -0.009 0.000 1.050 220 A CA -0.803 51.248 52.037 0.022 0.000 0.694 220 A CB 1.091 20.114 19.000 0.038 0.000 1.277 220 A HN 0.314 nan 8.150 nan 0.000 0.400 221 I N 2.543 123.076 120.570 -0.061 0.000 2.336 221 I HA 0.353 4.524 4.170 0.002 0.000 0.292 221 I C -0.563 175.535 176.117 -0.031 0.000 0.991 221 I CA -0.359 60.890 61.300 -0.085 0.000 1.227 221 I CB 1.491 39.362 38.000 -0.215 0.000 1.366 221 I HN 0.485 nan 8.210 nan 0.000 0.466 222 I N 6.452 126.984 120.570 -0.063 0.000 2.297 222 I HA 0.212 4.383 4.170 0.002 0.000 0.291 222 I C -0.585 175.483 176.117 -0.082 0.000 1.033 222 I CA -0.291 60.901 61.300 -0.181 0.000 1.253 222 I CB 0.610 38.371 38.000 -0.399 0.000 1.396 222 I HN 0.421 nan 8.210 nan 0.000 0.476 223 F N 6.894 126.763 119.950 -0.135 0.000 2.385 223 F HA 0.414 4.942 4.527 0.002 0.000 0.360 223 F C -0.018 175.720 175.800 -0.103 0.000 1.122 223 F CA -0.430 57.538 58.000 -0.054 0.000 1.090 223 F CB 0.602 39.673 39.000 0.118 0.000 1.150 223 F HN 0.389 nan 8.300 nan 0.000 0.472 224 C N 6.185 125.124 119.300 -0.601 0.000 2.307 224 C HA 0.670 5.131 4.460 0.002 0.000 0.340 224 C C -0.296 174.378 174.990 -0.527 0.000 1.275 224 C CA -0.933 57.842 59.018 -0.405 0.000 1.811 224 C CB 0.295 27.896 27.740 -0.231 0.000 2.372 224 C HN 0.552 nan 8.230 nan 0.000 0.531 225 V N 3.500 123.230 119.914 -0.308 0.000 2.409 225 V HA 0.536 4.657 4.120 0.002 0.000 0.291 225 V C 0.474 176.474 176.094 -0.157 0.000 1.020 225 V CA -0.421 61.730 62.300 -0.249 0.000 0.848 225 V CB 1.437 33.018 31.823 -0.402 0.000 0.990 225 V HN 1.007 nan 8.190 nan 0.000 0.430 226 A N 5.202 127.971 122.820 -0.085 0.000 2.545 226 A HA 0.403 4.724 4.320 0.002 0.000 0.297 226 A C 1.244 178.828 177.584 -0.000 0.000 1.340 226 A CA -0.140 51.879 52.037 -0.031 0.000 1.016 226 A CB -0.290 18.707 19.000 -0.005 0.000 1.122 226 A HN 0.938 nan 8.150 nan 0.000 0.537 227 L N 2.603 123.807 121.223 -0.032 0.000 2.021 227 L HA -0.310 4.031 4.340 0.002 0.000 0.215 227 L C 2.958 179.991 176.870 0.271 0.000 1.074 227 L CA 2.153 56.970 54.840 -0.039 0.000 0.760 227 L CB -0.600 41.300 42.059 -0.265 0.000 0.889 227 L HN 0.885 nan 8.230 nan 0.000 0.433 228 S N -1.119 114.759 115.700 0.297 0.000 2.440 228 S HA -0.225 4.245 4.470 0.002 0.000 0.240 228 S C 1.376 176.032 174.600 0.094 0.000 1.014 228 S CA 1.542 59.901 58.200 0.265 0.000 0.980 228 S CB -0.593 62.704 63.200 0.161 0.000 0.775 228 S HN 0.406 nan 8.310 nan 0.000 0.499 229 D N 1.280 121.731 120.400 0.085 0.000 2.378 229 D HA -0.025 4.616 4.640 0.002 0.000 0.222 229 D C 1.458 177.757 176.300 -0.001 0.000 0.980 229 D CA 0.849 54.861 54.000 0.020 0.000 0.907 229 D CB -0.576 40.246 40.800 0.036 0.000 0.899 229 D HN 0.862 nan 8.370 nan 0.000 0.527 230 Y N 1.207 121.551 120.300 0.074 0.000 2.241 230 Y HA -0.212 4.339 4.550 0.001 0.000 0.286 230 Y C 1.301 177.211 175.900 0.016 0.000 1.166 230 Y CA 1.513 59.640 58.100 0.045 0.000 1.203 230 Y CB -0.635 37.901 38.460 0.127 0.000 0.977 230 Y HN -0.068 nan 8.280 nan 0.000 0.529 231 D N 0.424 120.500 120.400 -0.541 0.000 2.340 231 D HA 0.026 4.667 4.640 0.002 0.000 0.217 231 D C 0.256 176.446 176.300 -0.185 0.000 1.081 231 D CA -0.015 53.785 54.000 -0.333 0.000 0.842 231 D CB -0.718 39.815 40.800 -0.445 0.000 0.934 231 D HN 0.518 nan 8.370 nan 0.000 0.511 232 L N 1.660 122.798 121.223 -0.143 0.000 2.583 232 L HA 0.190 4.531 4.340 0.002 0.000 0.239 232 L C 0.410 177.253 176.870 -0.044 0.000 1.347 232 L CA -0.762 54.021 54.840 -0.094 0.000 1.246 232 L CB -0.291 41.722 42.059 -0.077 0.000 1.496 232 L HN -0.006 nan 8.230 nan 0.000 0.413 233 V N 1.427 121.318 119.914 -0.039 0.000 3.802 233 V HA -0.270 3.851 4.120 0.002 0.000 0.508 233 V C -0.166 175.929 176.094 0.001 0.000 0.682 233 V CA -0.100 62.189 62.300 -0.018 0.000 2.028 233 V CB -0.239 31.569 31.823 -0.024 0.000 2.432 233 V HN 0.497 nan 8.190 nan 0.000 0.510 234 L N 6.530 127.758 121.223 0.008 0.000 2.461 234 L HA 0.668 5.009 4.340 0.002 0.000 0.272 234 L C 1.045 177.925 176.870 0.016 0.000 1.197 234 L CA 1.507 56.355 54.840 0.013 0.000 0.836 234 L CB 1.194 43.259 42.059 0.010 0.000 1.105 234 L HN 1.127 nan 8.230 nan 0.000 0.477 235 A N 2.342 125.173 122.820 0.019 0.000 2.042 235 A HA 0.532 4.853 4.320 0.002 0.000 0.204 235 A C -0.215 177.383 177.584 0.024 0.000 1.712 235 A CA 0.659 52.710 52.037 0.024 0.000 0.890 235 A CB -0.023 18.994 19.000 0.027 0.000 1.176 235 A HN 0.759 nan 8.150 nan 0.000 0.573 241 N N 1.250 119.985 118.700 0.058 0.000 2.458 241 N HA 0.100 4.841 4.740 0.002 0.000 0.258 241 N C 0.105 175.675 175.510 0.100 0.000 1.219 241 N CA 0.622 53.723 53.050 0.085 0.000 0.902 241 N CB 0.896 39.471 38.487 0.146 0.000 1.076 241 N HN 0.502 nan 8.380 nan 0.000 0.455 242 R N 2.460 123.000 120.500 0.067 0.000 2.115 242 R HA -0.098 4.243 4.340 0.002 0.000 0.230 242 R C 1.920 178.267 176.300 0.079 0.000 1.111 242 R CA 1.311 57.450 56.100 0.066 0.000 0.976 242 R CB -0.113 30.213 30.300 0.043 0.000 0.870 242 R HN 0.608 nan 8.270 nan 0.000 0.445 243 M N -0.427 119.201 119.600 0.047 0.000 2.319 243 M HA -0.094 4.387 4.480 0.002 0.000 0.265 243 M C 1.253 177.501 176.300 -0.088 0.000 1.068 243 M CA 1.761 57.064 55.300 0.006 0.000 1.118 243 M CB 0.080 32.640 32.600 -0.067 0.000 1.395 243 M HN 0.128 nan 8.290 nan 0.000 0.435 244 H N -0.739 118.331 119.070 0.000 0.000 2.436 244 H HA -0.055 4.501 4.556 0.002 0.000 0.294 244 H C 1.935 177.282 175.328 0.032 0.000 1.048 244 H CA 1.663 57.707 56.048 -0.007 0.000 1.353 244 H CB 0.030 29.778 29.762 -0.024 0.000 1.414 244 H HN 0.504 nan 8.280 nan 0.000 0.536 245 E N 0.308 120.603 120.200 0.159 0.000 2.049 245 E HA -0.272 4.079 4.350 0.002 0.000 0.198 245 E C 2.349 179.054 176.600 0.174 0.000 1.007 245 E CA 1.504 57.987 56.400 0.138 0.000 0.809 245 E CB -0.126 29.643 29.700 0.115 0.000 0.749 245 E HN 0.320 nan 8.360 nan 0.000 0.450 246 S N -0.358 115.473 115.700 0.218 0.000 2.359 246 S HA -0.211 4.260 4.470 0.002 0.000 0.224 246 S C 2.055 176.907 174.600 0.421 0.000 1.035 246 S CA 1.794 60.222 58.200 0.380 0.000 1.018 246 S CB -0.221 63.230 63.200 0.420 0.000 0.876 246 S HN 0.287 nan 8.310 nan 0.000 0.448 247 M N 1.146 120.852 119.600 0.177 0.000 2.082 247 M HA -0.175 4.305 4.480 0.002 0.000 0.258 247 M C 2.349 178.679 176.300 0.050 0.000 1.071 247 M CA 2.094 57.348 55.300 -0.077 0.000 1.103 247 M CB -0.553 31.846 32.600 -0.336 0.000 1.307 247 M HN 0.281 nan 8.290 nan 0.000 0.409 248 K N 0.465 120.905 120.400 0.065 0.000 2.052 248 K HA -0.258 4.063 4.320 0.002 0.000 0.215 248 K C 1.853 178.491 176.600 0.063 0.000 1.053 248 K CA 1.747 58.071 56.287 0.061 0.000 0.934 248 K CB -0.249 32.292 32.500 0.068 0.000 0.717 248 K HN 0.118 nan 8.250 nan 0.000 0.450 249 L N 0.569 121.869 121.223 0.128 0.000 1.990 249 L HA -0.184 4.157 4.340 0.002 0.000 0.213 249 L C 2.320 179.182 176.870 -0.013 0.000 1.072 249 L CA 1.649 56.572 54.840 0.139 0.000 0.755 249 L CB -1.124 41.129 42.059 0.324 0.000 0.889 249 L HN 0.230 nan 8.230 nan 0.000 0.432 250 F N 0.720 120.508 119.950 -0.270 0.000 2.095 250 F HA -0.274 4.254 4.527 0.001 0.000 0.298 250 F C 2.493 178.134 175.800 -0.265 0.000 1.104 250 F CA 1.888 59.572 58.000 -0.528 0.000 1.232 250 F CB -0.465 38.318 39.000 -0.362 0.000 0.987 250 F HN 0.228 nan 8.300 nan 0.000 0.475 251 D N -0.164 120.137 120.400 -0.165 0.000 2.157 251 D HA -0.241 4.400 4.640 0.002 0.000 0.191 251 D C 2.403 178.562 176.300 -0.235 0.000 1.004 251 D CA 2.033 55.917 54.000 -0.193 0.000 0.854 251 D CB -0.464 40.288 40.800 -0.080 0.000 0.936 251 D HN 0.403 nan 8.370 nan 0.000 0.446 252 S N -1.019 114.572 115.700 -0.182 0.000 2.481 252 S HA -0.016 4.455 4.470 0.002 0.000 0.231 252 S C 2.292 176.780 174.600 -0.186 0.000 0.996 252 S CA 0.318 58.420 58.200 -0.163 0.000 0.942 252 S CB -0.292 62.845 63.200 -0.105 0.000 0.768 252 S HN 0.343 nan 8.310 nan 0.000 0.520 253 I N 1.670 122.085 120.570 -0.258 0.000 2.296 253 I HA -0.085 4.086 4.170 0.002 0.000 0.242 253 I C 2.859 178.840 176.117 -0.228 0.000 1.087 253 I CA 0.937 62.113 61.300 -0.207 0.000 1.393 253 I CB -0.471 37.337 38.000 -0.320 0.000 1.093 253 I HN 0.595 nan 8.210 nan 0.000 0.421 254 C N 0.174 119.171 119.300 -0.504 0.000 2.432 254 C HA 0.050 4.510 4.460 0.002 0.000 0.282 254 C C 1.835 176.696 174.990 -0.215 0.000 1.388 254 C CA 0.300 59.062 59.018 -0.428 0.000 1.777 254 C CB -1.306 26.022 27.740 -0.688 0.000 1.882 254 C HN 0.465 nan 8.230 nan 0.000 0.520 255 N N 1.307 119.879 118.700 -0.213 0.000 2.203 255 N HA 0.125 4.866 4.740 0.002 0.000 0.207 255 N C -0.266 175.139 175.510 -0.175 0.000 1.130 255 N CA 0.144 53.094 53.050 -0.167 0.000 0.861 255 N CB -0.281 38.106 38.487 -0.166 0.000 1.005 255 N HN 0.650 nan 8.380 nan 0.000 0.507 256 N N 1.306 119.894 118.700 -0.187 0.000 2.482 256 N HA 0.110 4.851 4.740 0.002 0.000 0.279 256 N C 0.903 176.196 175.510 -0.361 0.000 1.182 256 N CA -0.123 52.734 53.050 -0.322 0.000 0.969 256 N CB 1.326 39.578 38.487 -0.393 0.000 1.201 256 N HN -0.073 nan 8.380 nan 0.000 0.523 257 K N 0.502 120.593 120.400 -0.515 0.000 2.323 257 K HA 0.044 4.365 4.320 0.002 0.000 0.197 257 K C 1.461 177.919 176.600 -0.237 0.000 1.043 257 K CA 0.306 56.394 56.287 -0.332 0.000 0.997 257 K CB 0.106 32.417 32.500 -0.314 0.000 0.807 257 K HN 0.504 nan 8.250 nan 0.000 0.497 258 W N 1.143 122.113 121.300 -0.551 0.000 2.364 258 W HA -0.043 4.618 4.660 0.001 0.000 0.281 258 W C 0.665 176.858 176.519 -0.544 0.000 1.219 258 W CA 0.437 57.354 57.345 -0.714 0.000 1.220 258 W CB -0.665 28.196 29.460 -0.999 0.000 1.127 258 W HN -0.033 nan 8.180 nan 0.000 0.556 259 F N -0.715 119.288 119.950 0.089 0.000 2.772 259 F HA 0.228 4.756 4.527 0.002 0.000 0.302 259 F C 1.694 177.499 175.800 0.008 0.000 1.136 259 F CA -0.551 57.464 58.000 0.025 0.000 1.322 259 F CB -1.021 37.954 39.000 -0.041 0.000 0.967 259 F HN -0.351 nan 8.300 nan 0.000 0.513 260 T N -0.762 113.863 114.554 0.118 0.000 2.812 260 T HA -0.107 4.243 4.350 0.002 0.000 0.264 260 T C 1.403 176.150 174.700 0.078 0.000 1.042 260 T CA 1.548 63.686 62.100 0.064 0.000 1.140 260 T CB -0.004 68.880 68.868 0.027 0.000 0.870 260 T HN 0.195 nan 8.240 nan 0.000 0.445 261 D N 0.939 121.394 120.400 0.092 0.000 2.349 261 D HA 0.090 4.731 4.640 0.002 0.000 0.214 261 D C 0.259 176.619 176.300 0.100 0.000 1.063 261 D CA 0.219 54.270 54.000 0.084 0.000 0.847 261 D CB 0.268 41.106 40.800 0.065 0.000 0.933 261 D HN 0.280 nan 8.370 nan 0.000 0.513 262 T N 0.948 115.586 114.554 0.139 0.000 2.916 262 T HA 0.093 4.444 4.350 0.002 0.000 0.303 262 T C 0.578 175.340 174.700 0.103 0.000 1.025 262 T CA 0.087 62.262 62.100 0.125 0.000 1.142 262 T CB 1.269 70.243 68.868 0.178 0.000 0.947 262 T HN -0.196 nan 8.240 nan 0.000 0.544 263 S N 3.275 119.023 115.700 0.080 0.000 2.488 263 S HA 0.232 4.703 4.470 0.002 0.000 0.278 263 S C 0.478 175.146 174.600 0.114 0.000 1.259 263 S CA -0.584 57.679 58.200 0.105 0.000 1.061 263 S CB -0.097 63.113 63.200 0.017 0.000 0.910 263 S HN 0.423 nan 8.310 nan 0.000 0.491 264 I N 5.181 125.869 120.570 0.197 0.000 2.297 264 I HA 0.303 4.474 4.170 0.002 0.000 0.291 264 I C -0.542 175.750 176.117 0.291 0.000 1.033 264 I CA -0.330 61.081 61.300 0.186 0.000 1.253 264 I CB 0.383 38.465 38.000 0.136 0.000 1.396 264 I HN 0.419 nan 8.210 nan 0.000 0.476 265 I N 6.949 127.648 120.570 0.216 0.000 2.339 265 I HA 0.241 4.412 4.170 0.002 0.000 0.290 265 I C -0.200 176.034 176.117 0.195 0.000 0.994 265 I CA -0.520 60.924 61.300 0.240 0.000 1.191 265 I CB 1.693 39.792 38.000 0.165 0.000 1.343 265 I HN 0.379 nan 8.210 nan 0.000 0.458 266 L N 7.467 128.825 121.223 0.226 0.000 2.261 266 L HA 0.474 4.815 4.340 0.002 0.000 0.289 266 L C -1.145 175.886 176.870 0.267 0.000 1.059 266 L CA 0.199 55.111 54.840 0.120 0.000 0.816 266 L CB -0.063 41.930 42.059 -0.109 0.000 1.191 266 L HN 0.230 nan 8.230 nan 0.000 0.431 267 F N 6.293 126.203 119.950 -0.067 0.000 2.350 267 F HA 0.325 4.853 4.527 0.001 0.000 0.365 267 F C 0.016 175.655 175.800 -0.267 0.000 1.122 267 F CA -1.060 56.872 58.000 -0.114 0.000 1.139 267 F CB 0.534 39.493 39.000 -0.068 0.000 1.220 267 F HN 0.275 nan 8.300 nan 0.000 0.499 268 L N 4.380 125.437 121.223 -0.276 0.000 2.385 268 L HA 0.226 4.567 4.340 0.002 0.000 0.285 268 L C 0.296 176.989 176.870 -0.295 0.000 1.125 268 L CA -0.167 54.385 54.840 -0.479 0.000 0.890 268 L CB -0.295 41.207 42.059 -0.927 0.000 1.251 268 L HN 0.466 nan 8.230 nan 0.000 0.445 269 N N 2.260 120.866 118.700 -0.156 0.000 2.518 269 N HA 0.330 5.071 4.740 0.002 0.000 0.284 269 N C -0.321 175.183 175.510 -0.009 0.000 1.230 269 N CA -0.705 52.311 53.050 -0.056 0.000 0.941 269 N CB 0.886 39.360 38.487 -0.022 0.000 1.219 269 N HN 0.357 nan 8.380 nan 0.000 0.560 270 K N -0.545 119.869 120.400 0.024 0.000 3.077 270 K HA -0.257 4.064 4.320 0.002 0.000 0.264 270 K C 0.628 177.322 176.600 0.157 0.000 1.008 270 K CA 0.968 57.296 56.287 0.069 0.000 0.740 270 K CB -1.317 31.219 32.500 0.061 0.000 1.273 270 K HN 0.698 nan 8.250 nan 0.000 0.477 271 K N 0.744 121.252 120.400 0.179 0.000 2.103 271 K HA -0.242 4.079 4.320 0.002 0.000 0.207 271 K C 1.506 178.270 176.600 0.273 0.000 1.048 271 K CA 2.001 58.478 56.287 0.317 0.000 0.930 271 K CB -0.200 32.522 32.500 0.369 0.000 0.716 271 K HN 0.415 nan 8.250 nan 0.000 0.444 272 D N 2.648 123.129 120.400 0.135 0.000 2.127 272 D HA -0.265 4.376 4.640 0.002 0.000 0.190 272 D C 2.179 178.535 176.300 0.093 0.000 1.000 272 D CA 1.792 55.833 54.000 0.069 0.000 0.839 272 D CB -0.748 40.069 40.800 0.029 0.000 0.955 272 D HN 0.404 nan 8.370 nan 0.000 0.446 273 L N -0.917 120.376 121.223 0.116 0.000 2.043 273 L HA -0.139 4.202 4.340 0.002 0.000 0.212 273 L C 2.842 179.831 176.870 0.200 0.000 1.075 273 L CA 1.445 56.363 54.840 0.130 0.000 0.752 273 L CB -0.795 41.326 42.059 0.104 0.000 0.891 273 L HN -0.045 nan 8.230 nan 0.000 0.432 274 F N 1.374 121.416 119.950 0.153 0.000 2.095 274 F HA -0.279 4.248 4.527 0.001 0.000 0.298 274 F C 2.652 178.594 175.800 0.236 0.000 1.104 274 F CA 2.074 60.216 58.000 0.237 0.000 1.232 274 F CB -0.243 38.923 39.000 0.277 0.000 0.987 274 F HN 0.222 nan 8.300 nan 0.000 0.475 275 E N 0.099 120.428 120.200 0.215 0.000 2.077 275 E HA -0.265 4.086 4.350 0.002 0.000 0.193 275 E C 1.913 178.473 176.600 -0.067 0.000 0.989 275 E CA 1.852 58.250 56.400 -0.002 0.000 0.800 275 E CB -0.449 29.112 29.700 -0.233 0.000 0.746 275 E HN 0.620 nan 8.360 nan 0.000 0.452 276 E N 0.622 120.808 120.200 -0.023 0.000 2.085 276 E HA -0.180 4.171 4.350 0.002 0.000 0.194 276 E C 2.128 178.712 176.600 -0.026 0.000 0.994 276 E CA 1.336 57.727 56.400 -0.016 0.000 0.801 276 E CB -0.030 29.680 29.700 0.017 0.000 0.743 276 E HN 0.191 nan 8.360 nan 0.000 0.453 277 K N 0.220 120.605 120.400 -0.024 0.000 2.155 277 K HA -0.117 4.203 4.320 0.002 0.000 0.203 277 K C 2.166 178.753 176.600 -0.021 0.000 1.052 277 K CA 0.525 56.804 56.287 -0.013 0.000 0.948 277 K CB -0.065 32.462 32.500 0.044 0.000 0.728 277 K HN 0.058 nan 8.250 nan 0.000 0.448 278 I N 1.563 122.049 120.570 -0.140 0.000 2.113 278 I HA -0.336 3.835 4.170 0.002 0.000 0.238 278 I C 1.210 177.277 176.117 -0.083 0.000 1.070 278 I CA 1.591 62.768 61.300 -0.204 0.000 1.332 278 I CB -0.035 37.666 38.000 -0.498 0.000 1.044 278 I HN 0.114 nan 8.210 nan 0.000 0.402 279 K N 0.231 120.597 120.400 -0.056 0.000 3.169 279 K HA -0.431 3.890 4.320 0.002 0.000 0.200 279 K C 1.883 178.478 176.600 -0.008 0.000 0.740 279 K CA 2.951 59.222 56.287 -0.027 0.000 0.792 279 K CB -1.494 30.986 32.500 -0.033 0.000 0.704 279 K HN 0.508 nan 8.250 nan 0.000 0.814 280 K N 1.227 121.624 120.400 -0.006 0.000 2.356 280 K HA 0.053 4.374 4.320 0.002 0.000 0.195 280 K C 0.672 177.286 176.600 0.024 0.000 1.037 280 K CA 0.782 57.072 56.287 0.005 0.000 1.014 280 K CB 0.436 32.932 32.500 -0.007 0.000 0.815 280 K HN 0.186 nan 8.250 nan 0.000 0.507 281 S N 1.963 117.695 115.700 0.053 0.000 2.454 281 S HA 0.494 4.964 4.470 0.002 0.000 0.306 281 S C -2.779 171.939 174.600 0.197 0.000 1.100 281 S CA -1.968 56.294 58.200 0.103 0.000 1.087 281 S CB 1.320 64.555 63.200 0.058 0.000 1.019 281 S HN 0.134 nan 8.310 nan 0.000 0.480 282 P HA 0.256 nan 4.420 nan 0.000 0.298 282 P C 0.610 178.030 177.300 0.201 0.000 1.314 282 P CA -0.704 62.485 63.100 0.148 0.000 0.854 282 P CB 1.489 33.253 31.700 0.107 0.000 1.019 283 L N 3.937 125.201 121.223 0.069 0.000 2.265 283 L HA -0.150 4.191 4.340 0.002 0.000 0.215 283 L C 2.162 179.106 176.870 0.123 0.000 1.117 283 L CA 2.674 57.497 54.840 -0.028 0.000 0.782 283 L CB -1.552 40.303 42.059 -0.341 0.000 0.914 283 L HN 0.482 nan 8.230 nan 0.000 0.441 284 T N -2.573 112.084 114.554 0.172 0.000 2.721 284 T HA -0.317 4.034 4.350 0.002 0.000 0.268 284 T C 1.942 176.732 174.700 0.150 0.000 1.038 284 T CA 1.927 64.131 62.100 0.174 0.000 1.145 284 T CB -1.075 67.877 68.868 0.141 0.000 0.858 284 T HN 0.466 nan 8.240 nan 0.000 0.459 285 I N 0.692 121.350 120.570 0.146 0.000 2.143 285 I HA -0.281 3.890 4.170 0.002 0.000 0.245 285 I C 3.040 179.222 176.117 0.108 0.000 1.068 285 I CA 1.765 63.139 61.300 0.123 0.000 1.326 285 I CB -0.766 37.310 38.000 0.126 0.000 1.028 285 I HN 0.512 nan 8.210 nan 0.000 0.412 286 C N -0.463 118.904 119.300 0.111 0.000 2.538 286 C HA -0.013 4.448 4.460 0.002 0.000 0.281 286 C C 0.830 175.802 174.990 -0.030 0.000 1.320 286 C CA -0.053 58.943 59.018 -0.037 0.000 1.714 286 C CB -0.460 27.134 27.740 -0.243 0.000 2.095 286 C HN 0.361 nan 8.230 nan 0.000 0.497 287 Y N 1.186 121.619 120.300 0.222 0.000 2.555 287 Y HA 0.373 4.924 4.550 0.001 0.000 0.326 287 Y C -1.943 174.061 175.900 0.173 0.000 0.984 287 Y CA -2.496 55.743 58.100 0.232 0.000 1.298 287 Y CB 0.472 39.095 38.460 0.272 0.000 1.094 287 Y HN 0.231 nan 8.280 nan 0.000 0.500 288 P HA -0.130 nan 4.420 nan 0.000 0.222 288 P C 1.420 178.810 177.300 0.149 0.000 1.153 288 P CA 1.028 64.230 63.100 0.169 0.000 0.798 288 P CB 0.437 32.208 31.700 0.118 0.000 0.796 289 E N 0.130 120.437 120.200 0.177 0.000 2.396 289 E HA -0.221 4.130 4.350 0.002 0.000 0.200 289 E C 0.142 176.814 176.600 0.120 0.000 1.023 289 E CA 0.468 56.958 56.400 0.149 0.000 0.857 289 E CB -1.401 28.394 29.700 0.159 0.000 0.775 289 E HN 0.300 nan 8.360 nan 0.000 0.525 290 Y N 0.934 121.213 120.300 -0.035 0.000 2.544 290 Y HA 0.258 4.809 4.550 0.002 0.000 0.330 290 Y C 0.920 176.722 175.900 -0.163 0.000 1.136 290 Y CA 0.414 58.358 58.100 -0.261 0.000 1.417 290 Y CB 0.875 39.088 38.460 -0.412 0.000 1.229 290 Y HN 0.040 nan 8.280 nan 0.000 0.532 291 A N 4.609 127.026 122.820 -0.672 0.000 2.600 291 A HA 0.396 4.717 4.320 0.002 0.000 0.252 291 A C 0.966 178.139 177.584 -0.685 0.000 1.200 291 A CA 0.263 51.988 52.037 -0.519 0.000 0.981 291 A CB -0.581 18.266 19.000 -0.254 0.000 1.207 291 A HN 0.923 nan 8.150 nan 0.000 0.577 292 G N 0.103 108.125 108.800 -1.296 0.000 2.683 292 G HA2 0.399 4.360 3.960 0.002 0.000 0.260 292 G HA3 0.399 4.360 3.960 0.002 0.000 0.260 292 G C 0.209 174.823 174.900 -0.477 0.000 1.238 292 G CA 0.103 44.720 45.100 -0.805 0.000 0.934 292 G HN 0.258 nan 8.290 nan 0.000 0.534 293 S N -0.170 115.442 115.700 -0.147 0.000 2.568 293 S HA 0.042 4.513 4.470 0.002 0.000 0.282 293 S C 0.673 175.341 174.600 0.113 0.000 1.338 293 S CA -0.342 57.849 58.200 -0.016 0.000 1.045 293 S CB 0.548 63.748 63.200 -0.000 0.000 0.873 293 S HN 0.516 nan 8.310 nan 0.000 0.516 294 N N 3.066 121.817 118.700 0.085 0.000 3.303 294 N HA 0.110 4.851 4.740 0.002 0.000 0.304 294 N C -0.237 175.298 175.510 0.042 0.000 1.302 294 N CA 0.000 53.102 53.050 0.085 0.000 1.213 294 N CB 0.053 38.575 38.487 0.058 0.000 1.481 294 N HN 0.689 nan 8.380 nan 0.000 0.546 295 T N -3.012 111.578 114.554 0.060 0.000 2.932 295 T HA 0.188 4.539 4.350 0.002 0.000 0.289 295 T C 1.269 176.015 174.700 0.076 0.000 1.039 295 T CA -0.708 61.427 62.100 0.060 0.000 1.024 295 T CB 1.555 70.463 68.868 0.067 0.000 1.090 295 T HN 0.153 nan 8.240 nan 0.000 0.496 296 Y N 1.902 122.187 120.300 -0.025 0.000 1.997 296 Y HA -0.318 4.233 4.550 0.002 0.000 0.265 296 Y C 2.286 178.230 175.900 0.074 0.000 1.193 296 Y CA 2.646 60.765 58.100 0.032 0.000 1.106 296 Y CB -0.616 37.850 38.460 0.010 0.000 0.940 296 Y HN 0.841 nan 8.280 nan 0.000 0.494 297 E N 0.033 120.247 120.200 0.023 0.000 2.097 297 E HA -0.205 4.146 4.350 0.002 0.000 0.196 297 E C 2.186 178.752 176.600 -0.056 0.000 1.000 297 E CA 2.017 58.377 56.400 -0.066 0.000 0.804 297 E CB -0.262 29.449 29.700 0.019 0.000 0.740 297 E HN 0.659 nan 8.360 nan 0.000 0.454 298 E N -0.126 120.091 120.200 0.028 0.000 2.051 298 E HA -0.008 4.343 4.350 0.002 0.000 0.189 298 E C 2.110 178.794 176.600 0.140 0.000 0.979 298 E CA 0.707 57.168 56.400 0.102 0.000 0.803 298 E CB -0.119 29.666 29.700 0.141 0.000 0.761 298 E HN 0.253 nan 8.360 nan 0.000 0.451 299 A N 1.631 124.502 122.820 0.086 0.000 1.902 299 A HA -0.110 4.211 4.320 0.002 0.000 0.217 299 A C 2.368 179.983 177.584 0.052 0.000 1.181 299 A CA 1.747 53.776 52.037 -0.013 0.000 0.623 299 A CB -0.547 18.450 19.000 -0.005 0.000 0.818 299 A HN 0.278 nan 8.150 nan 0.000 0.443 300 A N -0.284 122.543 122.820 0.011 0.000 1.929 300 A HA 0.250 4.571 4.320 0.002 0.000 0.216 300 A C 2.479 180.065 177.584 0.003 0.000 1.176 300 A CA 1.787 53.756 52.037 -0.113 0.000 0.628 300 A CB -0.935 17.814 19.000 -0.417 0.000 0.816 300 A HN 1.007 nan 8.150 nan 0.000 0.444 301 A N -1.304 121.504 122.820 -0.020 0.000 1.883 301 A HA -0.171 4.149 4.320 0.002 0.000 0.217 301 A C 2.126 179.750 177.584 0.066 0.000 1.186 301 A CA 1.725 53.784 52.037 0.038 0.000 0.624 301 A CB -0.898 18.117 19.000 0.026 0.000 0.822 301 A HN 0.669 nan 8.150 nan 0.000 0.444 302 Y N 0.381 120.658 120.300 -0.038 0.000 2.165 302 Y HA -0.222 4.329 4.550 0.001 0.000 0.286 302 Y C 2.085 177.901 175.900 -0.140 0.000 1.155 302 Y CA 1.889 59.940 58.100 -0.082 0.000 1.164 302 Y CB -0.223 38.162 38.460 -0.126 0.000 0.978 302 Y HN 0.296 nan 8.280 nan 0.000 0.513 303 I N -0.137 120.444 120.570 0.018 0.000 2.179 303 I HA -0.373 3.798 4.170 0.002 0.000 0.242 303 I C 2.605 178.745 176.117 0.039 0.000 1.088 303 I CA 1.844 63.163 61.300 0.031 0.000 1.357 303 I CB -0.567 37.466 38.000 0.055 0.000 1.051 303 I HN 0.315 nan 8.210 nan 0.000 0.409 304 Q N 0.397 120.201 119.800 0.007 0.000 2.077 304 Q HA -0.269 4.072 4.340 0.002 0.000 0.206 304 Q C 2.513 178.496 176.000 -0.028 0.000 0.989 304 Q CA 2.475 58.270 55.803 -0.013 0.000 0.853 304 Q CB -0.141 28.626 28.738 0.048 0.000 0.907 304 Q HN 0.582 nan 8.270 nan 0.000 0.418 305 C N 0.764 120.010 119.300 -0.090 0.000 2.425 305 C HA -0.078 4.383 4.460 0.002 0.000 0.277 305 C C 2.651 177.529 174.990 -0.187 0.000 1.280 305 C CA 0.405 59.340 59.018 -0.140 0.000 1.744 305 C CB -0.741 26.897 27.740 -0.170 0.000 1.989 305 C HN 0.585 nan 8.230 nan 0.000 0.491 306 Q N -0.153 119.475 119.800 -0.285 0.000 2.079 306 Q HA -0.059 4.282 4.340 0.002 0.000 0.200 306 Q C 1.956 177.837 176.000 -0.199 0.000 0.974 306 Q CA 1.566 57.164 55.803 -0.342 0.000 0.840 306 Q CB -0.489 27.926 28.738 -0.540 0.000 0.898 306 Q HN 0.710 nan 8.270 nan 0.000 0.430 307 F N 1.286 121.149 119.950 -0.144 0.000 2.084 307 F HA -0.136 4.392 4.527 0.002 0.000 0.296 307 F C 2.364 178.157 175.800 -0.011 0.000 1.111 307 F CA 1.229 59.164 58.000 -0.108 0.000 1.224 307 F CB -0.157 38.672 39.000 -0.285 0.000 0.991 307 F HN 0.138 nan 8.300 nan 0.000 0.471 308 E N -0.322 119.947 120.200 0.115 0.000 2.153 308 E HA -0.259 4.092 4.350 0.002 0.000 0.194 308 E C 1.462 178.099 176.600 0.063 0.000 0.988 308 E CA 1.328 57.789 56.400 0.102 0.000 0.811 308 E CB -0.258 29.459 29.700 0.028 0.000 0.746 308 E HN 0.316 nan 8.360 nan 0.000 0.466 309 D N 0.144 120.546 120.400 0.003 0.000 2.351 309 D HA -0.108 4.533 4.640 0.002 0.000 0.216 309 D C 1.510 177.801 176.300 -0.015 0.000 0.968 309 D CA 0.508 54.493 54.000 -0.025 0.000 0.899 309 D CB 0.082 40.840 40.800 -0.070 0.000 0.907 309 D HN 0.124 nan 8.370 nan 0.000 0.514 310 L N -0.359 120.876 121.223 0.019 0.000 2.291 310 L HA -0.022 4.319 4.340 0.002 0.000 0.214 310 L C 1.066 177.917 176.870 -0.031 0.000 1.120 310 L CA -0.050 54.791 54.840 0.002 0.000 0.799 310 L CB -0.780 41.299 42.059 0.033 0.000 0.925 310 L HN -0.011 nan 8.230 nan 0.000 0.446 311 N N 1.730 120.422 118.700 -0.013 0.000 2.374 311 N HA -0.096 4.645 4.740 0.002 0.000 0.269 311 N C 0.608 176.089 175.510 -0.048 0.000 1.310 311 N CA 0.703 53.725 53.050 -0.046 0.000 0.877 311 N CB 0.598 39.074 38.487 -0.019 0.000 1.096 311 N HN 0.136 nan 8.380 nan 0.000 0.484 312 K N 2.052 122.414 120.400 -0.063 0.000 2.444 312 K HA 0.071 4.392 4.320 0.002 0.000 0.193 312 K C -0.062 176.511 176.600 -0.045 0.000 1.024 312 K CA 0.299 56.553 56.287 -0.054 0.000 1.077 312 K CB 0.225 32.687 32.500 -0.063 0.000 0.833 312 K HN 0.479 nan 8.250 nan 0.000 0.517 313 R N 0.003 120.477 120.500 -0.043 0.000 2.921 313 R HA 0.163 4.504 4.340 0.002 0.000 0.269 313 R C -0.428 175.853 176.300 -0.030 0.000 1.696 313 R CA -0.360 55.720 56.100 -0.034 0.000 1.161 313 R CB -0.309 29.972 30.300 -0.032 0.000 1.337 313 R HN -0.155 nan 8.270 nan 0.000 0.496 314 K N 1.067 121.450 120.400 -0.029 0.000 2.211 314 K HA -0.183 4.138 4.320 0.002 0.000 0.204 314 K C 0.578 177.163 176.600 -0.025 0.000 1.047 314 K CA 1.831 58.101 56.287 -0.028 0.000 0.935 314 K CB 0.049 32.532 32.500 -0.028 0.000 0.728 314 K HN 0.581 nan 8.250 nan 0.000 0.452 315 D N 0.249 120.637 120.400 -0.021 0.000 2.558 315 D HA -0.271 4.370 4.640 0.002 0.000 0.190 315 D C 1.492 177.785 176.300 -0.011 0.000 1.047 315 D CA 2.080 56.071 54.000 -0.015 0.000 0.880 315 D CB -0.423 40.369 40.800 -0.014 0.000 0.926 315 D HN 0.212 nan 8.370 nan 0.000 0.465 316 T N -1.726 112.821 114.554 -0.011 0.000 3.177 316 T HA 0.066 4.417 4.350 0.002 0.000 0.267 316 T C -0.187 174.514 174.700 0.002 0.000 0.858 316 T CA -0.330 61.768 62.100 -0.003 0.000 0.846 316 T CB 0.796 69.660 68.868 -0.006 0.000 1.256 316 T HN 0.082 nan 8.240 nan 0.000 0.601 317 K N 2.545 122.940 120.400 -0.008 0.000 2.450 317 K HA 0.518 4.839 4.320 0.002 0.000 0.257 317 K C -0.884 175.697 176.600 -0.030 0.000 0.953 317 K CA -0.561 55.723 56.287 -0.004 0.000 0.844 317 K CB 1.596 34.092 32.500 -0.007 0.000 1.103 317 K HN 0.089 nan 8.250 nan 0.000 0.429 318 E N 4.296 124.472 120.200 -0.041 0.000 2.301 318 E HA 0.307 4.658 4.350 0.002 0.000 0.275 318 E C -1.017 175.432 176.600 -0.252 0.000 1.030 318 E CA -0.504 55.790 56.400 -0.177 0.000 0.852 318 E CB 0.779 30.334 29.700 -0.241 0.000 1.060 318 E HN 0.547 nan 8.360 nan 0.000 0.401 319 I N 4.178 124.569 120.570 -0.300 0.000 2.441 319 I HA 0.234 4.405 4.170 0.002 0.000 0.295 319 I C -1.067 174.844 176.117 -0.342 0.000 0.994 319 I CA -0.809 60.379 61.300 -0.187 0.000 1.144 319 I CB 1.128 39.147 38.000 0.032 0.000 1.314 319 I HN 0.556 nan 8.210 nan 0.000 0.445 320 Y N 3.720 124.083 120.300 0.105 0.000 2.402 320 Y HA 0.420 4.971 4.550 0.002 0.000 0.332 320 Y C 0.171 176.161 175.900 0.151 0.000 0.960 320 Y CA -0.679 57.489 58.100 0.113 0.000 1.228 320 Y CB 1.407 39.965 38.460 0.162 0.000 1.120 320 Y HN 0.373 nan 8.280 nan 0.000 0.491 321 T N 4.034 118.648 114.554 0.100 0.000 2.797 321 T HA 0.412 4.763 4.350 0.002 0.000 0.279 321 T C -0.804 173.799 174.700 -0.162 0.000 0.991 321 T CA -0.732 61.380 62.100 0.019 0.000 0.979 321 T CB 0.418 69.253 68.868 -0.055 0.000 0.943 321 T HN 0.526 nan 8.240 nan 0.000 0.444 322 H N 1.800 120.891 119.070 0.035 0.000 2.771 322 H HA 0.309 4.866 4.556 0.002 0.000 0.361 322 H C -1.117 174.114 175.328 -0.162 0.000 1.108 322 H CA -0.630 55.421 56.048 0.006 0.000 1.201 322 H CB 1.443 31.171 29.762 -0.056 0.000 1.681 322 H HN 0.465 nan 8.280 nan 0.000 0.534 323 F N 2.397 122.370 119.950 0.037 0.000 2.404 323 F HA 0.172 4.700 4.527 0.001 0.000 0.358 323 F C 1.050 176.831 175.800 -0.033 0.000 1.120 323 F CA -0.318 57.678 58.000 -0.006 0.000 1.144 323 F CB 1.180 40.192 39.000 0.019 0.000 1.133 323 F HN 0.354 nan 8.300 nan 0.000 0.495 324 T N 0.112 114.668 114.554 0.003 0.000 2.912 324 T HA 0.457 4.808 4.350 0.002 0.000 0.288 324 T C -0.906 173.788 174.700 -0.010 0.000 1.030 324 T CA -0.921 61.131 62.100 -0.080 0.000 1.020 324 T CB 1.539 70.223 68.868 -0.306 0.000 1.056 324 T HN 0.644 nan 8.240 nan 0.000 0.480 325 C N 2.866 122.150 119.300 -0.026 0.000 2.264 325 C HA 0.775 5.235 4.460 0.002 0.000 0.322 325 C C 1.676 176.632 174.990 -0.056 0.000 1.210 325 C CA -0.110 58.891 59.018 -0.029 0.000 1.539 325 C CB -1.136 26.592 27.740 -0.019 0.000 2.167 325 C HN 1.111 nan 8.230 nan 0.000 0.463 326 A N 3.574 126.364 122.820 -0.051 0.000 2.014 326 A HA -0.056 4.265 4.320 0.002 0.000 0.218 326 A C 2.137 179.671 177.584 -0.084 0.000 1.163 326 A CA 2.092 54.097 52.037 -0.053 0.000 0.652 326 A CB -0.691 18.295 19.000 -0.023 0.000 0.808 326 A HN 1.103 nan 8.150 nan 0.000 0.449 327 T N -2.305 112.189 114.554 -0.100 0.000 3.051 327 T HA -0.061 4.290 4.350 0.002 0.000 0.269 327 T C 0.499 175.123 174.700 -0.126 0.000 1.127 327 T CA 0.871 62.888 62.100 -0.137 0.000 1.107 327 T CB -0.282 68.476 68.868 -0.184 0.000 0.898 327 T HN 0.319 nan 8.240 nan 0.000 0.517 328 D N 1.164 121.505 120.400 -0.097 0.000 2.396 328 D HA 0.259 4.900 4.640 0.002 0.000 0.225 328 D C 0.895 177.144 176.300 -0.084 0.000 1.121 328 D CA -0.202 53.748 54.000 -0.083 0.000 0.853 328 D CB 1.411 42.173 40.800 -0.065 0.000 1.043 328 D HN 0.026 nan 8.370 nan 0.000 0.500 329 T N 3.070 117.569 114.554 -0.091 0.000 2.746 329 T HA -0.164 4.187 4.350 0.002 0.000 0.267 329 T C 1.703 176.352 174.700 -0.084 0.000 1.039 329 T CA 1.175 63.213 62.100 -0.104 0.000 1.142 329 T CB 0.144 68.948 68.868 -0.107 0.000 0.866 329 T HN 0.304 nan 8.240 nan 0.000 0.444 330 K N 1.437 121.801 120.400 -0.059 0.000 2.032 330 K HA -0.071 4.250 4.320 0.002 0.000 0.209 330 K C 2.289 178.891 176.600 0.004 0.000 1.048 330 K CA 1.192 57.461 56.287 -0.029 0.000 0.927 330 K CB -0.303 32.177 32.500 -0.034 0.000 0.712 330 K HN 0.323 nan 8.250 nan 0.000 0.441 331 N N 0.121 118.809 118.700 -0.020 0.000 2.084 331 N HA -0.161 4.580 4.740 0.002 0.000 0.190 331 N C 1.623 177.156 175.510 0.038 0.000 1.030 331 N CA 1.658 54.709 53.050 0.002 0.000 0.849 331 N CB 0.051 38.516 38.487 -0.037 0.000 1.012 331 N HN -0.038 nan 8.380 nan 0.000 0.423 332 V N 1.749 121.647 119.914 -0.027 0.000 2.252 332 V HA -0.294 3.827 4.120 0.002 0.000 0.249 332 V C 2.728 178.818 176.094 -0.007 0.000 1.056 332 V CA 2.224 64.498 62.300 -0.044 0.000 1.022 332 V CB -1.026 30.742 31.823 -0.091 0.000 0.641 332 V HN 0.480 nan 8.190 nan 0.000 0.445 333 Q N -0.653 119.127 119.800 -0.033 0.000 2.077 333 Q HA -0.293 4.048 4.340 0.002 0.000 0.206 333 Q C 2.155 178.215 176.000 0.100 0.000 0.989 333 Q CA 2.632 58.422 55.803 -0.022 0.000 0.853 333 Q CB -0.310 28.395 28.738 -0.055 0.000 0.907 333 Q HN 0.656 nan 8.270 nan 0.000 0.418 334 F N 0.121 120.074 119.950 0.004 0.000 2.084 334 F HA -0.196 4.332 4.527 0.001 0.000 0.296 334 F C 1.956 177.777 175.800 0.035 0.000 1.111 334 F CA 1.517 59.537 58.000 0.034 0.000 1.224 334 F CB -0.369 38.645 39.000 0.022 0.000 0.991 334 F HN -0.067 nan 8.300 nan 0.000 0.471 335 V N 0.241 120.240 119.914 0.141 0.000 2.255 335 V HA -0.343 3.778 4.120 0.002 0.000 0.247 335 V C 2.237 178.260 176.094 -0.119 0.000 1.051 335 V CA 2.328 64.577 62.300 -0.085 0.000 1.018 335 V CB -1.069 30.637 31.823 -0.196 0.000 0.641 335 V HN 0.451 nan 8.190 nan 0.000 0.445 336 F N 1.096 120.992 119.950 -0.091 0.000 2.171 336 F HA -0.194 4.334 4.527 0.002 0.000 0.300 336 F C 2.403 178.231 175.800 0.047 0.000 1.090 336 F CA 2.034 60.023 58.000 -0.018 0.000 1.293 336 F CB -0.374 38.600 39.000 -0.043 0.000 1.013 336 F HN 0.284 nan 8.300 nan 0.000 0.486 337 D N 0.179 120.637 120.400 0.095 0.000 2.117 337 D HA -0.211 4.430 4.640 0.002 0.000 0.197 337 D C 2.199 178.479 176.300 -0.034 0.000 0.987 337 D CA 1.328 55.421 54.000 0.154 0.000 0.829 337 D CB -0.104 40.792 40.800 0.159 0.000 0.961 337 D HN 0.361 nan 8.370 nan 0.000 0.460 338 A N 0.586 123.307 122.820 -0.165 0.000 1.908 338 A HA -0.124 4.197 4.320 0.002 0.000 0.218 338 A C 2.657 180.178 177.584 -0.105 0.000 1.181 338 A CA 1.504 53.460 52.037 -0.136 0.000 0.627 338 A CB -0.843 18.090 19.000 -0.113 0.000 0.818 338 A HN 0.241 nan 8.150 nan 0.000 0.445 339 V N -0.446 119.356 119.914 -0.187 0.000 2.427 339 V HA -0.205 3.916 4.120 0.002 0.000 0.248 339 V C 2.735 178.708 176.094 -0.202 0.000 1.051 339 V CA 2.421 64.603 62.300 -0.196 0.000 1.048 339 V CB -1.043 30.640 31.823 -0.234 0.000 0.666 339 V HN 0.613 nan 8.190 nan 0.000 0.456 340 T N -0.351 114.066 114.554 -0.228 0.000 2.788 340 T HA -0.181 4.170 4.350 0.002 0.000 0.268 340 T C 1.578 176.244 174.700 -0.057 0.000 1.044 340 T CA 1.645 63.696 62.100 -0.081 0.000 1.139 340 T CB -0.351 68.551 68.868 0.057 0.000 0.867 340 T HN 0.482 nan 8.240 nan 0.000 0.454 341 D N 0.753 121.112 120.400 -0.069 0.000 2.178 341 D HA -0.036 4.605 4.640 0.002 0.000 0.202 341 D C 2.191 178.444 176.300 -0.078 0.000 0.974 341 D CA 0.437 54.399 54.000 -0.064 0.000 0.841 341 D CB -0.496 40.275 40.800 -0.049 0.000 0.953 341 D HN 0.222 nan 8.370 nan 0.000 0.478 342 V N 1.043 120.885 119.914 -0.121 0.000 2.287 342 V HA -0.234 3.887 4.120 0.002 0.000 0.248 342 V C 2.471 178.470 176.094 -0.159 0.000 1.053 342 V CA 1.238 63.416 62.300 -0.202 0.000 1.027 342 V CB -0.378 31.203 31.823 -0.402 0.000 0.646 342 V HN 0.193 nan 8.190 nan 0.000 0.447 343 I N -0.554 119.946 120.570 -0.118 0.000 2.252 343 I HA -0.225 3.946 4.170 0.002 0.000 0.245 343 I C 2.290 178.370 176.117 -0.062 0.000 1.102 343 I CA 1.643 62.897 61.300 -0.077 0.000 1.385 343 I CB -0.279 37.698 38.000 -0.038 0.000 1.064 343 I HN 0.222 nan 8.210 nan 0.000 0.414 344 I N 0.565 121.101 120.570 -0.058 0.000 2.226 344 I HA -0.307 3.864 4.170 0.002 0.000 0.245 344 I C 2.412 178.505 176.117 -0.041 0.000 1.100 344 I CA 1.567 62.836 61.300 -0.051 0.000 1.374 344 I CB -0.299 37.669 38.000 -0.053 0.000 1.057 344 I HN 0.174 nan 8.210 nan 0.000 0.413 345 K N 0.169 120.543 120.400 -0.042 0.000 2.228 345 K HA -0.046 4.275 4.320 0.002 0.000 0.202 345 K C 1.346 177.936 176.600 -0.016 0.000 1.051 345 K CA 1.147 57.418 56.287 -0.026 0.000 0.960 345 K CB 0.078 32.565 32.500 -0.021 0.000 0.743 345 K HN 0.330 nan 8.250 nan 0.000 0.458 346 N N -0.661 118.025 118.700 -0.024 0.000 2.445 346 N HA 0.048 4.789 4.740 0.002 0.000 0.204 346 N C 0.621 176.129 175.510 -0.002 0.000 1.098 346 N CA 0.221 53.268 53.050 -0.005 0.000 0.859 346 N CB 0.590 39.074 38.487 -0.004 0.000 1.249 346 N HN 0.036 nan 8.380 nan 0.000 0.462 347 N N 0.145 118.835 118.700 -0.016 0.000 2.184 347 N HA 0.100 4.841 4.740 0.002 0.000 0.206 347 N C 0.591 176.091 175.510 -0.017 0.000 1.151 347 N CA 0.038 53.082 53.050 -0.010 0.000 0.878 347 N CB 0.952 39.431 38.487 -0.012 0.000 1.014 347 N HN 0.056 nan 8.380 nan 0.000 0.512 348 L N 1.792 123.001 121.223 -0.023 0.000 2.141 348 L HA -0.008 4.333 4.340 0.002 0.000 0.209 348 L C 2.016 178.875 176.870 -0.018 0.000 1.094 348 L CA 1.608 56.431 54.840 -0.028 0.000 0.763 348 L CB -0.259 41.782 42.059 -0.030 0.000 0.908 348 L HN -0.123 nan 8.230 nan 0.000 0.437 349 K N -0.297 120.096 120.400 -0.011 0.000 2.152 349 K HA -0.122 4.199 4.320 0.002 0.000 0.206 349 K C 0.841 177.439 176.600 -0.004 0.000 1.048 349 K CA 1.356 57.638 56.287 -0.008 0.000 0.933 349 K CB -0.092 32.406 32.500 -0.004 0.000 0.721 349 K HN 0.320 nan 8.250 nan 0.000 0.447 350 D N -0.618 119.783 120.400 0.002 0.000 2.395 350 D HA 0.049 4.690 4.640 0.002 0.000 0.226 350 D C -0.582 175.727 176.300 0.014 0.000 1.146 350 D CA 0.075 54.081 54.000 0.010 0.000 0.830 350 D CB -0.126 40.685 40.800 0.019 0.000 0.958 350 D HN 0.089 nan 8.370 nan 0.000 0.501 351 C N 1.470 120.772 119.300 0.005 0.000 2.285 351 C HA 0.606 5.066 4.460 0.002 0.000 0.335 351 C C 1.409 176.426 174.990 0.044 0.000 1.267 351 C CA -1.022 58.006 59.018 0.017 0.000 1.762 351 C CB 0.533 28.259 27.740 -0.023 0.000 2.365 351 C HN 0.271 nan 8.230 nan 0.000 0.527 352 G N 2.946 111.826 108.800 0.132 0.000 2.594 352 G HA2 0.431 4.392 3.960 0.002 0.000 0.243 352 G HA3 0.431 4.392 3.960 0.002 0.000 0.243 352 G C -0.514 174.453 174.900 0.111 0.000 1.229 352 G CA -0.396 44.783 45.100 0.131 0.000 0.843 352 G HN 0.736 nan 8.290 nan 0.000 0.578 353 L N 0.419 121.507 121.223 -0.226 0.000 2.307 353 L HA 0.599 4.940 4.340 0.002 0.000 0.282 353 L C -0.519 175.980 176.870 -0.618 0.000 1.051 353 L CA -0.466 54.235 54.840 -0.232 0.000 0.804 353 L CB 1.284 43.237 42.059 -0.176 0.000 1.197 353 L HN 0.386 nan 8.230 nan 0.000 0.431 354 F N 0.000 119.882 119.950 -0.113 0.000 2.286 354 F HA 0.000 4.528 4.527 0.002 0.000 0.279 354 F CA 0.000 57.934 58.000 -0.110 0.000 1.383 354 F CB 0.000 38.926 39.000 -0.124 0.000 1.145 354 F HN 0.000 nan 8.300 nan 0.000 0.574