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 1ss8_1_E DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 1.334 124.154 122.820 0.000 0.000 2.565 3 A HA 0.489 4.809 4.320 0.000 0.000 0.237 3 A C 0.270 177.856 177.584 0.003 0.000 1.053 3 A CA 0.536 52.577 52.037 0.006 0.000 0.755 3 A CB -0.152 18.855 19.000 0.011 0.000 0.980 3 A HN 0.625 nan 8.150 nan 0.000 0.506 4 K N 1.274 121.681 120.400 0.012 0.000 2.238 4 K HA 0.466 4.786 4.320 0.000 0.000 0.239 4 K C -1.113 175.511 176.600 0.039 0.000 0.987 4 K CA -0.737 55.555 56.287 0.009 0.000 0.857 4 K CB 1.359 33.864 32.500 0.008 0.000 1.154 4 K HN 0.709 nan 8.250 nan 0.000 0.439 5 D N 0.897 121.331 120.400 0.056 0.000 2.308 5 D HA 0.360 5.000 4.640 0.000 0.000 0.242 5 D C -1.275 175.170 176.300 0.242 0.000 1.059 5 D CA -0.557 53.538 54.000 0.159 0.000 0.830 5 D CB 1.246 42.167 40.800 0.202 0.000 1.161 5 D HN 0.058 nan 8.370 nan 0.000 0.494 6 V N 4.206 124.221 119.914 0.168 0.000 2.540 6 V HA 0.497 4.617 4.120 0.000 0.000 0.302 6 V C 0.130 176.162 176.094 -0.104 0.000 1.035 6 V CA -0.765 61.555 62.300 0.034 0.000 0.873 6 V CB 1.861 33.667 31.823 -0.029 0.000 0.992 6 V HN 0.393 nan 8.190 nan 0.000 0.428 7 K N 3.180 123.388 120.400 -0.320 0.000 2.395 7 K HA 0.778 5.098 4.320 0.000 0.000 0.247 7 K C -1.658 174.601 176.600 -0.568 0.000 0.973 7 K CA -0.574 55.469 56.287 -0.407 0.000 0.828 7 K CB 2.598 34.716 32.500 -0.637 0.000 1.272 7 K HN 0.438 nan 8.250 nan 0.000 0.439 8 F N -0.366 119.524 119.950 -0.100 0.000 2.611 8 F HA 0.412 4.939 4.527 0.000 0.000 0.324 8 F C 1.247 177.010 175.800 -0.061 0.000 1.061 8 F CA 0.103 58.069 58.000 -0.057 0.000 0.954 8 F CB 1.566 40.543 39.000 -0.038 0.000 1.301 8 F HN 0.804 nan 8.300 nan 0.000 0.482 9 G N 1.761 110.665 108.800 0.173 0.000 2.684 9 G HA2 -0.451 3.509 3.960 0.000 0.000 0.342 9 G HA3 -0.451 3.509 3.960 0.000 0.000 0.342 9 G C 0.977 175.896 174.900 0.031 0.000 1.316 9 G CA 1.240 46.391 45.100 0.084 0.000 0.994 9 G HN 0.825 nan 8.290 nan 0.000 0.541 10 N N 0.803 119.516 118.700 0.021 0.000 2.104 10 N HA -0.069 4.671 4.740 0.000 0.000 0.190 10 N C 1.679 177.176 175.510 -0.021 0.000 1.024 10 N CA 1.286 54.336 53.050 0.000 0.000 0.853 10 N CB -0.214 38.273 38.487 0.000 0.000 1.008 10 N HN 0.523 nan 8.380 nan 0.000 0.424 11 D N 0.928 121.310 120.400 -0.030 0.000 2.149 11 D HA -0.182 4.458 4.640 0.000 0.000 0.194 11 D C 1.929 178.152 176.300 -0.129 0.000 1.001 11 D CA 1.373 55.326 54.000 -0.079 0.000 0.849 11 D CB -0.409 40.334 40.800 -0.096 0.000 0.939 11 D HN 0.349 nan 8.370 nan 0.000 0.449 12 A N 0.476 123.224 122.820 -0.120 0.000 1.897 12 A HA 0.084 4.405 4.320 0.000 0.000 0.215 12 A C 2.380 179.926 177.584 -0.063 0.000 1.181 12 A CA 1.881 53.831 52.037 -0.146 0.000 0.620 12 A CB -1.051 17.870 19.000 -0.131 0.000 0.821 12 A HN 0.287 nan 8.150 nan 0.000 0.443 13 G N 0.280 109.061 108.800 -0.033 0.000 2.553 13 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 13 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 13 G C 1.706 176.599 174.900 -0.012 0.000 1.195 13 G CA 2.579 47.672 45.100 -0.012 0.000 0.779 13 G HN 1.132 nan 8.290 nan 0.000 0.577 14 V N -1.146 118.756 119.914 -0.021 0.000 2.490 14 V HA -0.038 4.082 4.120 0.000 0.000 0.250 14 V C 2.461 178.551 176.094 -0.006 0.000 1.061 14 V CA 2.359 64.652 62.300 -0.013 0.000 1.064 14 V CB -0.409 31.406 31.823 -0.014 0.000 0.670 14 V HN 0.156 nan 8.190 nan 0.000 0.461 15 K N 0.031 120.421 120.400 -0.016 0.000 2.057 15 K HA 0.062 4.383 4.320 0.000 0.000 0.206 15 K C 2.210 178.837 176.600 0.045 0.000 1.050 15 K CA 1.954 58.254 56.287 0.022 0.000 0.935 15 K CB -0.448 32.070 32.500 0.031 0.000 0.715 15 K HN 0.534 nan 8.250 nan 0.000 0.439 16 M N 0.397 120.017 119.600 0.034 0.000 2.175 16 M HA -0.145 4.335 4.480 0.000 0.000 0.264 16 M C 2.203 178.520 176.300 0.029 0.000 1.063 16 M CA 0.979 56.303 55.300 0.040 0.000 1.119 16 M CB -0.284 32.336 32.600 0.034 0.000 1.377 16 M HN 0.011 nan 8.290 nan 0.000 0.415 17 L N 0.683 121.918 121.223 0.020 0.000 2.046 17 L HA -0.176 4.164 4.340 0.000 0.000 0.208 17 L C 2.432 179.313 176.870 0.019 0.000 1.077 17 L CA 1.874 56.724 54.840 0.017 0.000 0.747 17 L CB -0.485 41.581 42.059 0.012 0.000 0.896 17 L HN 0.157 nan 8.230 nan 0.000 0.432 18 R N -0.471 120.041 120.500 0.021 0.000 2.091 18 R HA -0.120 4.220 4.340 0.000 0.000 0.238 18 R C 2.232 178.547 176.300 0.024 0.000 1.136 18 R CA 1.248 57.361 56.100 0.022 0.000 0.959 18 R CB -1.226 29.088 30.300 0.024 0.000 0.856 18 R HN 0.581 nan 8.270 nan 0.000 0.437 19 G N 0.900 109.719 108.800 0.031 0.000 2.459 19 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 19 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 19 G C 1.510 176.422 174.900 0.021 0.000 1.183 19 G CA 0.872 45.990 45.100 0.029 0.000 0.776 19 G HN 0.152 nan 8.290 nan 0.000 0.552 20 V N 1.406 121.332 119.914 0.021 0.000 2.427 20 V HA -0.167 3.953 4.120 0.000 0.000 0.248 20 V C 2.645 178.748 176.094 0.015 0.000 1.051 20 V CA 1.763 64.073 62.300 0.017 0.000 1.048 20 V CB -0.434 31.400 31.823 0.018 0.000 0.666 20 V HN 0.319 nan 8.190 nan 0.000 0.456 21 N N 0.145 118.854 118.700 0.015 0.000 2.166 21 N HA -0.116 4.624 4.740 0.000 0.000 0.186 21 N C 1.751 177.269 175.510 0.012 0.000 1.019 21 N CA 1.313 54.371 53.050 0.013 0.000 0.856 21 N CB -0.339 38.155 38.487 0.013 0.000 0.993 21 N HN 0.364 nan 8.380 nan 0.000 0.426 22 V N 1.416 121.338 119.914 0.013 0.000 2.323 22 V HA -0.153 3.967 4.120 0.000 0.000 0.244 22 V C 2.395 178.495 176.094 0.010 0.000 1.041 22 V CA 0.878 63.185 62.300 0.011 0.000 1.025 22 V CB -0.599 31.231 31.823 0.012 0.000 0.656 22 V HN 0.164 nan 8.190 nan 0.000 0.451 23 L N 1.152 122.381 121.223 0.010 0.000 1.978 23 L HA -0.212 4.128 4.340 0.000 0.000 0.218 23 L C 2.417 179.291 176.870 0.008 0.000 1.075 23 L CA 2.792 57.637 54.840 0.008 0.000 0.767 23 L CB -0.993 41.071 42.059 0.007 0.000 0.890 23 L HN 0.238 nan 8.230 nan 0.000 0.434 24 A N -1.357 121.468 122.820 0.010 0.000 1.929 24 A HA -0.163 4.158 4.320 0.000 0.000 0.216 24 A C 1.959 179.548 177.584 0.009 0.000 1.176 24 A CA 1.599 53.642 52.037 0.010 0.000 0.628 24 A CB -0.768 18.239 19.000 0.012 0.000 0.816 24 A HN 0.575 nan 8.150 nan 0.000 0.444 25 D N 0.228 120.633 120.400 0.009 0.000 2.144 25 D HA -0.005 4.635 4.640 0.000 0.000 0.200 25 D C 2.212 178.516 176.300 0.008 0.000 0.978 25 D CA 1.342 55.347 54.000 0.008 0.000 0.833 25 D CB -0.395 40.410 40.800 0.008 0.000 0.961 25 D HN 0.406 nan 8.370 nan 0.000 0.470 26 A N 0.510 123.335 122.820 0.007 0.000 1.883 26 A HA -0.151 4.170 4.320 0.000 0.000 0.217 26 A C 2.497 180.084 177.584 0.006 0.000 1.186 26 A CA 1.314 53.355 52.037 0.006 0.000 0.624 26 A CB -0.746 18.258 19.000 0.006 0.000 0.822 26 A HN 0.161 nan 8.150 nan 0.000 0.444 27 V N 1.084 121.001 119.914 0.006 0.000 2.407 27 V HA -0.203 3.917 4.120 0.000 0.000 0.245 27 V C 2.535 178.633 176.094 0.007 0.000 1.041 27 V CA 2.147 64.451 62.300 0.006 0.000 1.040 27 V CB -0.563 31.264 31.823 0.006 0.000 0.671 27 V HN 0.851 nan 8.190 nan 0.000 0.455 28 K N 1.298 121.703 120.400 0.008 0.000 2.442 28 K HA -0.085 4.235 4.320 0.000 0.000 0.198 28 K C 1.826 178.431 176.600 0.008 0.000 1.042 28 K CA 1.600 57.892 56.287 0.009 0.000 0.958 28 K CB -0.568 31.938 32.500 0.010 0.000 0.766 28 K HN 0.471 nan 8.250 nan 0.000 0.474 29 V N 0.325 120.243 119.914 0.007 0.000 2.867 29 V HA -0.182 3.938 4.120 0.000 0.000 0.260 29 V C 2.120 178.218 176.094 0.006 0.000 1.099 29 V CA 1.989 64.293 62.300 0.007 0.000 1.122 29 V CB -1.299 30.527 31.823 0.006 0.000 0.708 29 V HN 0.556 nan 8.190 nan 0.000 0.490 30 T N -2.306 112.251 114.554 0.006 0.000 3.129 30 T HA 0.270 4.621 4.350 0.000 0.000 0.251 30 T C 0.469 175.173 174.700 0.006 0.000 1.117 30 T CA 0.023 62.126 62.100 0.005 0.000 1.034 30 T CB -0.177 68.694 68.868 0.004 0.000 0.968 30 T HN 0.408 nan 8.240 nan 0.000 0.526 31 L N 2.295 123.523 121.223 0.008 0.000 2.349 31 L HA 0.615 4.956 4.340 0.000 0.000 0.275 31 L C 0.717 177.593 176.870 0.010 0.000 1.115 31 L CA 1.387 56.232 54.840 0.009 0.000 0.820 31 L CB 0.020 42.086 42.059 0.012 0.000 1.135 31 L HN 0.637 nan 8.230 nan 0.000 0.445 32 G N 4.278 113.082 108.800 0.008 0.000 2.795 32 G HA2 -0.163 3.798 3.960 0.000 0.000 0.664 32 G HA3 -0.163 3.798 3.960 0.000 0.000 0.664 32 G C -2.037 172.862 174.900 -0.001 0.000 1.381 32 G CA -0.317 44.786 45.100 0.006 0.000 0.853 32 G HN 0.593 nan 8.290 nan 0.000 0.545 33 P HA 0.030 nan 4.420 nan 0.000 0.222 33 P C 0.983 178.276 177.300 -0.011 0.000 1.147 33 P CA 1.220 64.310 63.100 -0.016 0.000 0.790 33 P CB 0.063 31.744 31.700 -0.033 0.000 0.780 34 K N 0.259 120.657 120.400 -0.003 0.000 2.675 34 K HA 0.313 4.633 4.320 0.000 0.000 0.213 34 K C 0.867 177.469 176.600 0.004 0.000 1.074 34 K CA -0.230 56.058 56.287 0.001 0.000 1.172 34 K CB -0.280 32.225 32.500 0.007 0.000 0.927 34 K HN 0.034 nan 8.250 nan 0.000 0.471 35 G N 0.821 109.622 108.800 0.003 0.000 2.483 35 G HA2 0.119 4.079 3.960 0.000 0.000 0.248 35 G HA3 0.119 4.079 3.960 0.000 0.000 0.248 35 G C -0.132 174.770 174.900 0.003 0.000 1.248 35 G CA -0.569 44.533 45.100 0.004 0.000 0.838 35 G HN 0.099 nan 8.290 nan 0.000 0.566 36 R N 1.000 121.502 120.500 0.004 0.000 2.543 36 R HA 0.233 4.573 4.340 0.000 0.000 0.268 36 R C 0.276 176.578 176.300 0.003 0.000 1.067 36 R CA -0.837 55.265 56.100 0.003 0.000 1.142 36 R CB 0.270 30.573 30.300 0.004 0.000 1.110 36 R HN 0.534 nan 8.270 nan 0.000 0.549 37 N N 0.070 118.772 118.700 0.003 0.000 2.525 37 N HA 0.159 4.899 4.740 0.000 0.000 0.271 37 N C -0.572 174.941 175.510 0.005 0.000 1.194 37 N CA -0.161 52.892 53.050 0.004 0.000 0.964 37 N CB 1.269 39.758 38.487 0.003 0.000 1.126 37 N HN 0.095 nan 8.380 nan 0.000 0.452 38 V N 1.836 121.753 119.914 0.005 0.000 2.495 38 V HA 0.301 4.421 4.120 0.000 0.000 0.298 38 V C 0.141 176.239 176.094 0.007 0.000 1.031 38 V CA -0.835 61.469 62.300 0.006 0.000 0.871 38 V CB 2.007 33.834 31.823 0.006 0.000 0.988 38 V HN 0.287 nan 8.190 nan 0.000 0.432 39 V N 6.370 126.289 119.914 0.008 0.000 2.439 39 V HA 0.481 4.601 4.120 0.000 0.000 0.282 39 V C -0.229 175.871 176.094 0.011 0.000 1.039 39 V CA -0.409 61.897 62.300 0.009 0.000 0.913 39 V CB 1.410 33.238 31.823 0.008 0.000 0.983 39 V HN 0.621 nan 8.190 nan 0.000 0.460 40 L N 3.819 125.050 121.223 0.014 0.000 2.349 40 L HA 0.545 4.885 4.340 0.000 0.000 0.278 40 L C -0.250 176.633 176.870 0.022 0.000 0.996 40 L CA -0.598 54.251 54.840 0.016 0.000 0.825 40 L CB 1.741 43.809 42.059 0.015 0.000 1.243 40 L HN 0.493 nan 8.230 nan 0.000 0.412 41 D N 2.738 123.150 120.400 0.021 0.000 2.357 41 D HA 0.319 4.959 4.640 0.000 0.000 0.242 41 D C -0.496 175.827 176.300 0.039 0.000 1.153 41 D CA 0.086 54.102 54.000 0.026 0.000 0.918 41 D CB 0.965 41.777 40.800 0.021 0.000 1.181 41 D HN 0.156 nan 8.370 nan 0.000 0.435 42 K N 0.016 120.447 120.400 0.053 0.000 2.469 42 K HA 0.328 4.648 4.320 0.000 0.000 0.254 42 K C 0.465 177.116 176.600 0.085 0.000 0.939 42 K CA -0.669 55.669 56.287 0.085 0.000 0.812 42 K CB 1.686 34.265 32.500 0.131 0.000 1.301 42 K HN 0.216 nan 8.250 nan 0.000 0.433 43 S N 0.578 116.341 115.700 0.106 0.000 2.496 43 S HA -0.035 4.435 4.470 0.000 0.000 0.224 43 S C 1.530 176.202 174.600 0.120 0.000 0.996 43 S CA 0.124 58.379 58.200 0.092 0.000 0.927 43 S CB -0.215 63.037 63.200 0.086 0.000 0.774 43 S HN 0.546 nan 8.310 nan 0.000 0.524 44 F N 2.672 122.620 119.950 -0.003 0.000 2.146 44 F HA 0.220 4.747 4.527 0.000 0.000 0.298 44 F C 1.586 177.384 175.800 -0.003 0.000 1.096 44 F CA 1.078 59.076 58.000 -0.003 0.000 1.275 44 F CB -0.445 38.553 39.000 -0.003 0.000 1.008 44 F HN 0.314 nan 8.300 nan 0.000 0.480 45 G N -1.434 107.328 108.800 -0.063 0.000 2.680 45 G HA2 0.380 4.340 3.960 0.000 0.000 0.092 45 G HA3 0.380 4.340 3.960 0.000 0.000 0.092 45 G C -0.841 174.036 174.900 -0.039 0.000 1.097 45 G CA -0.168 44.855 45.100 -0.128 0.000 1.368 45 G HN 0.375 nan 8.290 nan 0.000 0.619 46 A N 2.298 125.102 122.820 -0.027 0.000 2.388 46 A HA 0.700 5.020 4.320 0.000 0.000 0.257 46 A C -1.601 175.996 177.584 0.022 0.000 1.095 46 A CA -0.710 51.325 52.037 -0.004 0.000 0.791 46 A CB -0.259 18.737 19.000 -0.006 0.000 1.029 46 A HN 0.417 nan 8.150 nan 0.000 0.489 47 P HA 0.163 nan 4.420 nan 0.000 0.270 47 P C 0.031 177.348 177.300 0.028 0.000 1.227 47 P CA 0.160 63.276 63.100 0.027 0.000 0.788 47 P CB 0.363 32.074 31.700 0.017 0.000 0.926 48 T N -1.121 113.451 114.554 0.030 0.000 2.859 48 T HA 0.655 5.005 4.350 0.000 0.000 0.281 48 T C -0.124 174.587 174.700 0.018 0.000 1.005 48 T CA -0.774 61.342 62.100 0.027 0.000 1.025 48 T CB 0.270 69.157 68.868 0.032 0.000 0.977 48 T HN 0.204 nan 8.240 nan 0.000 0.458 49 I N 2.642 123.221 120.570 0.014 0.000 2.378 49 I HA 0.577 4.747 4.170 0.000 0.000 0.291 49 I C 0.267 176.389 176.117 0.008 0.000 0.992 49 I CA -0.556 60.750 61.300 0.010 0.000 1.154 49 I CB 2.130 40.134 38.000 0.008 0.000 1.315 49 I HN 0.779 nan 8.210 nan 0.000 0.448 50 T N 4.106 118.664 114.554 0.007 0.000 2.932 50 T HA 0.354 4.705 4.350 0.000 0.000 0.318 50 T C -0.184 174.518 174.700 0.003 0.000 1.265 50 T CA -0.584 61.519 62.100 0.005 0.000 1.036 50 T CB 1.555 70.426 68.868 0.006 0.000 1.209 50 T HN 0.670 nan 8.240 nan 0.000 0.484 51 K N 1.373 121.774 120.400 0.002 0.000 2.387 51 K HA 0.188 4.508 4.320 0.000 0.000 0.203 51 K C -0.294 176.307 176.600 0.001 0.000 1.030 51 K CA -0.303 55.985 56.287 0.001 0.000 1.099 51 K CB 0.491 32.991 32.500 -0.000 0.000 0.863 51 K HN 0.406 nan 8.250 nan 0.000 0.529 52 D N 0.499 120.899 120.400 0.001 0.000 2.393 52 D HA 0.060 4.700 4.640 0.000 0.000 0.232 52 D C 1.049 177.350 176.300 0.001 0.000 1.192 52 D CA -0.050 53.950 54.000 0.000 0.000 0.882 52 D CB 1.214 42.014 40.800 -0.001 0.000 1.038 52 D HN 0.265 nan 8.370 nan 0.000 0.499 53 G N 2.661 111.462 108.800 0.002 0.000 2.450 53 G HA2 -0.209 3.751 3.960 0.000 0.000 0.220 53 G HA3 -0.209 3.751 3.960 0.000 0.000 0.220 53 G C 1.611 176.511 174.900 0.001 0.000 1.130 53 G CA 0.567 45.669 45.100 0.003 0.000 0.760 53 G HN 0.481 nan 8.290 nan 0.000 0.557 54 V N 1.054 120.968 119.914 -0.000 0.000 2.295 54 V HA -0.195 3.925 4.120 0.000 0.000 0.246 54 V C 3.097 179.189 176.094 -0.004 0.000 1.049 54 V CA 2.198 64.497 62.300 -0.003 0.000 1.024 54 V CB -0.624 31.198 31.823 -0.002 0.000 0.648 54 V HN 0.376 nan 8.190 nan 0.000 0.447 55 S N -0.023 115.675 115.700 -0.002 0.000 2.365 55 S HA -0.209 4.262 4.470 0.000 0.000 0.225 55 S C 2.023 176.622 174.600 -0.002 0.000 1.039 55 S CA 1.708 59.907 58.200 -0.002 0.000 1.033 55 S CB -0.374 62.825 63.200 -0.000 0.000 0.887 55 S HN 0.385 nan 8.310 nan 0.000 0.447 56 V N 2.233 122.147 119.914 0.000 0.000 2.233 56 V HA -0.276 3.844 4.120 0.000 0.000 0.247 56 V C 2.708 178.801 176.094 -0.001 0.000 1.050 56 V CA 1.843 64.144 62.300 0.001 0.000 1.010 56 V CB -1.433 30.392 31.823 0.003 0.000 0.637 56 V HN 0.565 nan 8.190 nan 0.000 0.444 57 A N 0.351 123.170 122.820 -0.002 0.000 1.927 57 A HA -0.357 3.963 4.320 0.000 0.000 0.220 57 A C 2.413 179.993 177.584 -0.007 0.000 1.185 57 A CA 2.678 54.712 52.037 -0.004 0.000 0.639 57 A CB -0.732 18.264 19.000 -0.007 0.000 0.820 57 A HN 0.589 nan 8.150 nan 0.000 0.451 58 R N -0.671 119.824 120.500 -0.008 0.000 2.120 58 R HA -0.138 4.202 4.340 0.000 0.000 0.234 58 R C 1.320 177.613 176.300 -0.010 0.000 1.123 58 R CA 1.622 57.715 56.100 -0.012 0.000 0.975 58 R CB -0.202 30.090 30.300 -0.013 0.000 0.866 58 R HN 0.429 nan 8.270 nan 0.000 0.446 59 E N 0.561 120.758 120.200 -0.006 0.000 2.427 59 E HA -0.013 4.337 4.350 0.000 0.000 0.196 59 E C 0.249 176.847 176.600 -0.003 0.000 1.028 59 E CA 0.201 56.599 56.400 -0.003 0.000 0.864 59 E CB 0.123 29.824 29.700 0.001 0.000 0.813 59 E HN 0.285 nan 8.360 nan 0.000 0.514 60 I N 2.184 122.752 120.570 -0.003 0.000 2.436 60 I HA 0.102 4.272 4.170 0.000 0.000 0.289 60 I C 0.419 176.534 176.117 -0.004 0.000 1.083 60 I CA 0.145 61.444 61.300 -0.002 0.000 1.372 60 I CB -0.126 37.874 38.000 -0.000 0.000 1.408 60 I HN -0.063 nan 8.210 nan 0.000 0.516 61 E N 7.060 127.258 120.200 -0.003 0.000 2.290 61 E HA 0.546 4.896 4.350 0.000 0.000 0.274 61 E C -1.665 174.933 176.600 -0.003 0.000 0.889 61 E CA -0.636 55.761 56.400 -0.006 0.000 0.760 61 E CB 2.148 31.843 29.700 -0.008 0.000 1.206 61 E HN 0.431 nan 8.360 nan 0.000 0.419 62 L N 3.433 124.654 121.223 -0.003 0.000 2.331 62 L HA 0.360 4.700 4.340 0.000 0.000 0.275 62 L C 1.440 178.308 176.870 -0.003 0.000 1.022 62 L CA -0.489 54.352 54.840 0.002 0.000 0.812 62 L CB 1.688 43.752 42.059 0.009 0.000 1.257 62 L HN 0.770 nan 8.230 nan 0.000 0.435 63 E N 1.101 121.302 120.200 0.002 0.000 2.051 63 E HA -0.198 4.152 4.350 0.000 0.000 0.192 63 E C 0.560 177.159 176.600 -0.002 0.000 0.991 63 E CA 0.829 57.229 56.400 -0.001 0.000 0.799 63 E CB 0.240 29.943 29.700 0.005 0.000 0.748 63 E HN 0.663 nan 8.360 nan 0.000 0.449 64 D N 0.397 120.807 120.400 0.016 0.000 2.401 64 D HA -0.068 4.572 4.640 0.000 0.000 0.254 64 D C 0.670 176.970 176.300 -0.000 0.000 1.192 64 D CA -0.001 54.019 54.000 0.034 0.000 0.885 64 D CB 0.927 41.772 40.800 0.075 0.000 1.147 64 D HN 0.055 nan 8.370 nan 0.000 0.478 65 K N 3.748 124.100 120.400 -0.080 0.000 2.103 65 K HA -0.169 4.151 4.320 0.000 0.000 0.207 65 K C 1.912 178.377 176.600 -0.225 0.000 1.048 65 K CA 1.183 57.342 56.287 -0.213 0.000 0.930 65 K CB -0.402 31.866 32.500 -0.387 0.000 0.716 65 K HN 0.482 nan 8.250 nan 0.000 0.444 66 F N 1.987 121.927 119.950 -0.016 0.000 2.128 66 F HA -0.054 4.473 4.527 0.000 0.000 0.295 66 F C 2.454 178.246 175.800 -0.015 0.000 1.100 66 F CA 1.042 59.030 58.000 -0.020 0.000 1.260 66 F CB -0.537 38.450 39.000 -0.022 0.000 1.009 66 F HN 0.088 nan 8.300 nan 0.000 0.476 67 E N 0.133 120.438 120.200 0.175 0.000 2.070 67 E HA -0.287 4.063 4.350 0.000 0.000 0.197 67 E C 2.048 178.677 176.600 0.050 0.000 1.004 67 E CA 1.368 57.823 56.400 0.091 0.000 0.805 67 E CB -0.547 29.195 29.700 0.069 0.000 0.744 67 E HN 0.433 nan 8.360 nan 0.000 0.451 68 N N 0.536 119.250 118.700 0.025 0.000 2.223 68 N HA -0.166 4.574 4.740 0.000 0.000 0.185 68 N C 1.893 177.401 175.510 -0.004 0.000 1.016 68 N CA 0.923 53.973 53.050 0.000 0.000 0.863 68 N CB 0.015 38.489 38.487 -0.021 0.000 0.983 68 N HN 0.181 nan 8.380 nan 0.000 0.429 69 M N 0.085 119.683 119.600 -0.003 0.000 2.117 69 M HA -0.072 4.408 4.480 0.000 0.000 0.262 69 M C 2.359 178.670 176.300 0.019 0.000 1.065 69 M CA 1.601 56.901 55.300 0.000 0.000 1.114 69 M CB -0.550 32.051 32.600 0.002 0.000 1.361 69 M HN 0.189 nan 8.290 nan 0.000 0.408 70 G N 0.108 108.930 108.800 0.038 0.000 2.469 70 G HA2 -0.209 3.752 3.960 0.000 0.000 0.219 70 G HA3 -0.209 3.752 3.960 0.000 0.000 0.219 70 G C 1.605 176.517 174.900 0.020 0.000 1.150 70 G CA 1.167 46.287 45.100 0.033 0.000 0.763 70 G HN 0.549 nan 8.290 nan 0.000 0.561 71 A N -0.061 122.769 122.820 0.016 0.000 1.873 71 A HA -0.045 4.276 4.320 0.000 0.000 0.215 71 A C 2.428 180.013 177.584 0.002 0.000 1.186 71 A CA 1.946 53.988 52.037 0.009 0.000 0.616 71 A CB -0.354 18.650 19.000 0.007 0.000 0.823 71 A HN 0.313 nan 8.150 nan 0.000 0.442 72 Q N -0.685 119.113 119.800 -0.002 0.000 2.124 72 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 72 Q C 2.102 178.098 176.000 -0.008 0.000 0.977 72 Q CA 1.504 57.302 55.803 -0.009 0.000 0.850 72 Q CB -0.552 28.177 28.738 -0.014 0.000 0.901 72 Q HN 0.764 nan 8.270 nan 0.000 0.429 73 M N -0.284 119.315 119.600 -0.001 0.000 2.065 73 M HA -0.175 4.305 4.480 0.000 0.000 0.259 73 M C 2.240 178.542 176.300 0.003 0.000 1.069 73 M CA 1.361 56.663 55.300 0.003 0.000 1.110 73 M CB -0.304 32.303 32.600 0.012 0.000 1.328 73 M HN -0.026 nan 8.290 nan 0.000 0.405 74 V N 0.102 120.020 119.914 0.007 0.000 2.427 74 V HA -0.265 3.856 4.120 0.000 0.000 0.248 74 V C 2.138 178.229 176.094 -0.005 0.000 1.051 74 V CA 1.715 64.020 62.300 0.007 0.000 1.048 74 V CB -0.709 31.121 31.823 0.012 0.000 0.666 74 V HN 0.428 nan 8.190 nan 0.000 0.456 75 K N -0.235 120.159 120.400 -0.010 0.000 2.032 75 K HA -0.227 4.093 4.320 0.000 0.000 0.209 75 K C 2.327 178.906 176.600 -0.036 0.000 1.048 75 K CA 1.732 58.007 56.287 -0.020 0.000 0.927 75 K CB -0.196 32.293 32.500 -0.018 0.000 0.712 75 K HN 0.451 nan 8.250 nan 0.000 0.441 76 E N 0.424 120.604 120.200 -0.033 0.000 2.072 76 E HA -0.157 4.193 4.350 0.000 0.000 0.191 76 E C 1.924 178.477 176.600 -0.079 0.000 0.985 76 E CA 1.143 57.514 56.400 -0.048 0.000 0.801 76 E CB 0.246 29.926 29.700 -0.034 0.000 0.750 76 E HN 0.070 nan 8.360 nan 0.000 0.452 77 V N 0.919 120.797 119.914 -0.060 0.000 2.346 77 V HA -0.146 3.974 4.120 0.000 0.000 0.244 77 V C 2.451 178.445 176.094 -0.167 0.000 1.037 77 V CA 1.442 63.688 62.300 -0.089 0.000 1.029 77 V CB -0.621 31.213 31.823 0.018 0.000 0.663 77 V HN 0.301 nan 8.190 nan 0.000 0.454 78 A N 1.049 123.822 122.820 -0.079 0.000 1.986 78 A HA -0.235 4.086 4.320 0.000 0.000 0.220 78 A C 2.451 179.958 177.584 -0.129 0.000 1.171 78 A CA 2.325 54.320 52.037 -0.071 0.000 0.640 78 A CB -0.750 18.238 19.000 -0.021 0.000 0.811 78 A HN 0.703 nan 8.150 nan 0.000 0.451 79 S N -0.595 115.027 115.700 -0.130 0.000 2.515 79 S HA -0.051 4.420 4.470 0.000 0.000 0.231 79 S C 1.569 176.048 174.600 -0.201 0.000 0.987 79 S CA 1.130 59.256 58.200 -0.124 0.000 0.936 79 S CB -0.236 62.914 63.200 -0.083 0.000 0.766 79 S HN 0.618 nan 8.310 nan 0.000 0.528 80 K N 1.340 121.516 120.400 -0.374 0.000 2.148 80 K HA 0.137 4.458 4.320 0.000 0.000 0.204 80 K C 2.458 178.752 176.600 -0.510 0.000 1.050 80 K CA 0.943 56.895 56.287 -0.559 0.000 0.942 80 K CB -0.459 31.463 32.500 -0.965 0.000 0.724 80 K HN 0.487 nan 8.250 nan 0.000 0.446 81 A N 2.016 124.592 122.820 -0.406 0.000 1.841 81 A HA -0.269 4.052 4.320 0.000 0.000 0.216 81 A C 1.837 179.418 177.584 -0.006 0.000 1.199 81 A CA 2.082 54.102 52.037 -0.029 0.000 0.621 81 A CB -0.902 18.154 19.000 0.093 0.000 0.835 81 A HN 0.269 nan 8.150 nan 0.000 0.445 82 N N 0.294 118.978 118.700 -0.028 0.000 2.096 82 N HA -0.193 4.547 4.740 0.000 0.000 0.195 82 N C 1.258 176.759 175.510 -0.014 0.000 1.017 82 N CA 1.952 54.998 53.050 -0.007 0.000 0.870 82 N CB -0.295 38.187 38.487 -0.008 0.000 1.024 82 N HN 0.505 nan 8.380 nan 0.000 0.434 83 D N -0.434 119.936 120.400 -0.051 0.000 2.097 83 D HA -0.053 4.588 4.640 0.000 0.000 0.197 83 D C 1.816 178.097 176.300 -0.032 0.000 0.984 83 D CA 1.292 55.261 54.000 -0.051 0.000 0.826 83 D CB -0.496 40.257 40.800 -0.080 0.000 0.973 83 D HN 0.335 nan 8.370 nan 0.000 0.460 84 A N 0.373 123.193 122.820 0.001 0.000 1.930 84 A HA 0.132 4.452 4.320 0.000 0.000 0.217 84 A C 2.028 179.628 177.584 0.026 0.000 1.175 84 A CA 2.051 54.116 52.037 0.047 0.000 0.627 84 A CB -0.140 18.953 19.000 0.154 0.000 0.815 84 A HN 0.244 nan 8.150 nan 0.000 0.443 85 A N -3.181 119.657 122.820 0.030 0.000 2.508 85 A HA 0.475 4.796 4.320 0.000 0.000 0.250 85 A C 1.599 179.197 177.584 0.023 0.000 1.208 85 A CA 0.981 53.035 52.037 0.027 0.000 0.960 85 A CB -0.168 18.862 19.000 0.050 0.000 1.099 85 A HN 1.855 nan 8.150 nan 0.000 0.542 86 G N -0.762 108.052 108.800 0.024 0.000 2.179 86 G HA2 -0.158 3.803 3.960 0.000 0.000 0.260 86 G HA3 -0.158 3.803 3.960 0.000 0.000 0.260 86 G C -0.145 174.806 174.900 0.085 0.000 0.977 86 G CA 0.646 45.797 45.100 0.084 0.000 0.641 86 G HN 0.994 nan 8.290 nan 0.000 0.533 87 D N -3.054 117.378 120.400 0.053 0.000 2.807 87 D HA 0.562 5.202 4.640 0.000 0.000 0.279 87 D C 0.877 177.199 176.300 0.038 0.000 1.247 87 D CA 1.566 55.592 54.000 0.043 0.000 0.749 87 D CB 0.303 41.129 40.800 0.045 0.000 1.264 87 D HN 1.438 nan 8.370 nan 0.000 0.421 88 G N -0.312 108.507 108.800 0.032 0.000 2.231 88 G HA2 -0.262 3.698 3.960 0.000 0.000 0.206 88 G HA3 -0.262 3.698 3.960 0.000 0.000 0.206 88 G C 1.139 176.059 174.900 0.032 0.000 0.996 88 G CA 0.878 46.001 45.100 0.038 0.000 0.645 88 G HN 0.588 nan 8.290 nan 0.000 0.498 89 T N 1.287 115.851 114.554 0.017 0.000 2.684 89 T HA -0.106 4.244 4.350 0.000 0.000 0.267 89 T C 2.531 177.237 174.700 0.010 0.000 1.036 89 T CA 2.484 64.587 62.100 0.004 0.000 1.148 89 T CB -0.442 68.419 68.868 -0.011 0.000 0.863 89 T HN 0.461 nan 8.240 nan 0.000 0.436 90 T N 1.418 115.979 114.554 0.012 0.000 2.821 90 T HA -0.086 4.264 4.350 0.000 0.000 0.267 90 T C 2.257 176.968 174.700 0.018 0.000 1.046 90 T CA 1.460 63.568 62.100 0.012 0.000 1.139 90 T CB -0.555 68.320 68.868 0.011 0.000 0.871 90 T HN 0.378 nan 8.240 nan 0.000 0.454 91 T N 1.921 116.489 114.554 0.023 0.000 2.777 91 T HA 0.023 4.373 4.350 0.000 0.000 0.266 91 T C 2.434 177.154 174.700 0.034 0.000 1.040 91 T CA 1.078 63.194 62.100 0.028 0.000 1.141 91 T CB -0.534 68.353 68.868 0.031 0.000 0.868 91 T HN 0.419 nan 8.240 nan 0.000 0.444 92 A N 1.403 124.248 122.820 0.042 0.000 1.908 92 A HA -0.173 4.148 4.320 0.000 0.000 0.218 92 A C 2.531 180.138 177.584 0.039 0.000 1.181 92 A CA 2.270 54.338 52.037 0.053 0.000 0.627 92 A CB -1.327 17.717 19.000 0.072 0.000 0.818 92 A HN 0.494 nan 8.150 nan 0.000 0.445 93 T N -0.427 114.143 114.554 0.026 0.000 2.746 93 T HA -0.114 4.236 4.350 0.000 0.000 0.267 93 T C 1.852 176.564 174.700 0.021 0.000 1.039 93 T CA 1.525 63.637 62.100 0.020 0.000 1.142 93 T CB -0.442 68.433 68.868 0.013 0.000 0.866 93 T HN 0.168 nan 8.240 nan 0.000 0.444 94 V N 1.401 121.328 119.914 0.021 0.000 2.343 94 V HA -0.111 4.009 4.120 0.000 0.000 0.247 94 V C 2.474 178.581 176.094 0.021 0.000 1.051 94 V CA 1.416 63.728 62.300 0.019 0.000 1.036 94 V CB -0.673 31.161 31.823 0.018 0.000 0.654 94 V HN 0.424 nan 8.190 nan 0.000 0.451 95 L N -0.009 121.229 121.223 0.026 0.000 1.994 95 L HA -0.165 4.176 4.340 0.000 0.000 0.208 95 L C 2.786 179.672 176.870 0.026 0.000 1.071 95 L CA 1.681 56.537 54.840 0.026 0.000 0.745 95 L CB -0.897 41.181 42.059 0.032 0.000 0.892 95 L HN 0.350 nan 8.230 nan 0.000 0.431 96 A N -0.354 122.484 122.820 0.030 0.000 1.873 96 A HA -0.343 3.978 4.320 0.000 0.000 0.218 96 A C 2.266 179.863 177.584 0.023 0.000 1.193 96 A CA 2.208 54.263 52.037 0.029 0.000 0.629 96 A CB -0.829 18.191 19.000 0.032 0.000 0.826 96 A HN 0.532 nan 8.150 nan 0.000 0.447 97 Q N -0.696 119.117 119.800 0.020 0.000 2.112 97 Q HA -0.210 4.130 4.340 0.000 0.000 0.206 97 Q C 2.107 178.117 176.000 0.016 0.000 0.987 97 Q CA 2.117 57.930 55.803 0.017 0.000 0.858 97 Q CB -0.340 28.407 28.738 0.015 0.000 0.905 97 Q HN 0.634 nan 8.270 nan 0.000 0.420 98 A N 0.145 122.974 122.820 0.016 0.000 1.930 98 A HA -0.042 4.278 4.320 0.000 0.000 0.215 98 A C 1.940 179.532 177.584 0.014 0.000 1.176 98 A CA 0.843 52.889 52.037 0.014 0.000 0.632 98 A CB -0.394 18.615 19.000 0.014 0.000 0.819 98 A HN 0.451 nan 8.150 nan 0.000 0.445 99 I N -0.342 120.238 120.570 0.016 0.000 2.226 99 I HA -0.248 3.922 4.170 0.000 0.000 0.245 99 I C 2.229 178.354 176.117 0.015 0.000 1.100 99 I CA 1.304 62.613 61.300 0.015 0.000 1.374 99 I CB -0.298 37.712 38.000 0.017 0.000 1.057 99 I HN 0.261 nan 8.210 nan 0.000 0.413 100 I N 0.091 120.671 120.570 0.016 0.000 2.315 100 I HA -0.259 3.911 4.170 0.000 0.000 0.248 100 I C 2.546 178.670 176.117 0.013 0.000 1.117 100 I CA 1.430 62.739 61.300 0.015 0.000 1.404 100 I CB -0.431 37.580 38.000 0.017 0.000 1.071 100 I HN 0.201 nan 8.210 nan 0.000 0.419 101 T N 0.135 114.697 114.554 0.012 0.000 2.674 101 T HA -0.144 4.206 4.350 0.000 0.000 0.265 101 T C 1.807 176.512 174.700 0.009 0.000 1.039 101 T CA 1.273 63.379 62.100 0.010 0.000 1.150 101 T CB -0.118 68.756 68.868 0.010 0.000 0.864 101 T HN 0.289 nan 8.240 nan 0.000 0.427 102 E N 0.598 120.804 120.200 0.009 0.000 2.152 102 E HA 0.019 4.370 4.350 0.000 0.000 0.192 102 E C 2.492 179.097 176.600 0.008 0.000 0.983 102 E CA 0.782 57.187 56.400 0.008 0.000 0.818 102 E CB -0.671 29.034 29.700 0.008 0.000 0.758 102 E HN 0.559 nan 8.360 nan 0.000 0.467 103 G N 1.448 110.253 108.800 0.009 0.000 2.418 103 G HA2 -0.204 3.756 3.960 0.000 0.000 0.217 103 G HA3 -0.204 3.756 3.960 0.000 0.000 0.217 103 G C 1.688 176.593 174.900 0.009 0.000 1.158 103 G CA 0.353 45.459 45.100 0.009 0.000 0.771 103 G HN 0.177 nan 8.290 nan 0.000 0.545 104 L N -0.432 120.797 121.223 0.009 0.000 2.291 104 L HA 0.093 4.433 4.340 0.000 0.000 0.214 104 L C 2.759 179.633 176.870 0.007 0.000 1.120 104 L CA 0.710 55.554 54.840 0.008 0.000 0.799 104 L CB -0.169 41.895 42.059 0.008 0.000 0.925 104 L HN 0.161 nan 8.230 nan 0.000 0.446 105 K N 0.343 120.746 120.400 0.007 0.000 2.057 105 K HA -0.085 4.235 4.320 0.000 0.000 0.206 105 K C 2.181 178.784 176.600 0.005 0.000 1.050 105 K CA 1.219 57.509 56.287 0.005 0.000 0.935 105 K CB -0.075 32.428 32.500 0.005 0.000 0.715 105 K HN 0.257 nan 8.250 nan 0.000 0.439 106 A N 0.183 123.007 122.820 0.006 0.000 2.014 106 A HA -0.067 4.253 4.320 0.000 0.000 0.218 106 A C 2.134 179.722 177.584 0.006 0.000 1.163 106 A CA 1.087 53.127 52.037 0.006 0.000 0.652 106 A CB -0.347 18.656 19.000 0.006 0.000 0.808 106 A HN 0.107 nan 8.150 nan 0.000 0.449 107 V N -0.162 119.756 119.914 0.007 0.000 2.307 107 V HA -0.223 3.898 4.120 0.000 0.000 0.245 107 V C 3.016 179.114 176.094 0.007 0.000 1.045 107 V CA 1.856 64.160 62.300 0.008 0.000 1.024 107 V CB -1.115 30.714 31.823 0.010 0.000 0.651 107 V HN 0.579 nan 8.190 nan 0.000 0.449 108 A N -0.200 122.624 122.820 0.006 0.000 2.070 108 A HA 0.008 4.328 4.320 0.000 0.000 0.220 108 A C 2.161 179.747 177.584 0.003 0.000 1.159 108 A CA 1.692 53.731 52.037 0.004 0.000 0.656 108 A CB -0.478 18.523 19.000 0.003 0.000 0.800 108 A HN 0.589 nan 8.150 nan 0.000 0.453 109 A N -2.070 120.752 122.820 0.003 0.000 2.251 109 A HA 0.437 4.758 4.320 0.000 0.000 0.209 109 A C 1.659 179.245 177.584 0.002 0.000 1.187 109 A CA 1.118 53.157 52.037 0.002 0.000 0.823 109 A CB -0.656 18.346 19.000 0.003 0.000 0.846 109 A HN 1.777 nan 8.150 nan 0.000 0.486 110 G N -1.571 107.231 108.800 0.003 0.000 2.176 110 G HA2 -0.213 3.747 3.960 0.000 0.000 0.232 110 G HA3 -0.213 3.747 3.960 0.000 0.000 0.232 110 G C 0.194 175.096 174.900 0.003 0.000 0.986 110 G CA 0.172 45.274 45.100 0.003 0.000 0.643 110 G HN 0.361 nan 8.290 nan 0.000 0.522 111 M N 0.568 120.170 119.600 0.004 0.000 2.228 111 M HA 0.264 4.744 4.480 0.000 0.000 0.326 111 M C 0.668 176.971 176.300 0.006 0.000 1.122 111 M CA -0.501 54.802 55.300 0.005 0.000 1.161 111 M CB 0.393 32.996 32.600 0.005 0.000 1.437 111 M HN 0.143 nan 8.290 nan 0.000 0.465 112 N N 2.103 120.807 118.700 0.006 0.000 2.420 112 N HA 0.140 4.880 4.740 0.000 0.000 0.262 112 N C -2.152 173.363 175.510 0.008 0.000 1.144 112 N CA -1.497 51.557 53.050 0.007 0.000 0.952 112 N CB 1.186 39.677 38.487 0.006 0.000 1.081 112 N HN 0.256 nan 8.380 nan 0.000 0.480 113 P HA -0.113 nan 4.420 nan 0.000 0.216 113 P C 1.621 178.927 177.300 0.011 0.000 1.150 113 P CA 1.259 64.366 63.100 0.011 0.000 0.837 113 P CB 0.247 31.956 31.700 0.015 0.000 0.786 114 M N -0.822 118.784 119.600 0.010 0.000 2.117 114 M HA -0.128 4.352 4.480 0.000 0.000 0.262 114 M C 1.546 177.850 176.300 0.007 0.000 1.065 114 M CA 1.679 56.984 55.300 0.009 0.000 1.114 114 M CB -1.778 30.827 32.600 0.008 0.000 1.361 114 M HN -0.020 nan 8.290 nan 0.000 0.408 115 D N 0.324 120.728 120.400 0.006 0.000 2.097 115 D HA -0.092 4.548 4.640 0.000 0.000 0.197 115 D C 2.185 178.488 176.300 0.005 0.000 0.984 115 D CA 0.845 54.848 54.000 0.005 0.000 0.826 115 D CB -0.116 40.687 40.800 0.004 0.000 0.973 115 D HN 0.126 nan 8.370 nan 0.000 0.460 116 L N 1.404 122.631 121.223 0.006 0.000 2.021 116 L HA -0.207 4.133 4.340 0.000 0.000 0.215 116 L C 2.309 179.182 176.870 0.006 0.000 1.074 116 L CA 1.616 56.460 54.840 0.006 0.000 0.760 116 L CB -1.094 40.969 42.059 0.008 0.000 0.889 116 L HN 0.055 nan 8.230 nan 0.000 0.433 117 K N -0.659 119.745 120.400 0.007 0.000 2.057 117 K HA -0.202 4.118 4.320 0.000 0.000 0.206 117 K C 2.308 178.911 176.600 0.004 0.000 1.050 117 K CA 1.203 57.494 56.287 0.007 0.000 0.935 117 K CB 0.006 32.511 32.500 0.008 0.000 0.715 117 K HN 0.052 nan 8.250 nan 0.000 0.439 118 R N -0.190 120.312 120.500 0.003 0.000 2.091 118 R HA -0.105 4.235 4.340 0.000 0.000 0.238 118 R C 2.267 178.567 176.300 0.001 0.000 1.136 118 R CA 1.806 57.907 56.100 0.002 0.000 0.959 118 R CB -0.583 29.718 30.300 0.002 0.000 0.856 118 R HN 0.416 nan 8.270 nan 0.000 0.437 119 G N 0.572 109.374 108.800 0.002 0.000 2.421 119 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 119 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 119 G C 1.425 176.326 174.900 0.002 0.000 1.171 119 G CA 0.982 46.083 45.100 0.002 0.000 0.775 119 G HN 0.273 nan 8.290 nan 0.000 0.543 120 I N 0.970 121.542 120.570 0.003 0.000 2.208 120 I HA -0.143 4.027 4.170 0.000 0.000 0.245 120 I C 2.152 178.268 176.117 -0.001 0.000 1.097 120 I CA 1.234 62.535 61.300 0.003 0.000 1.363 120 I CB -0.141 37.862 38.000 0.005 0.000 1.051 120 I HN 0.057 nan 8.210 nan 0.000 0.413 121 D N 0.481 120.880 120.400 -0.002 0.000 2.183 121 D HA -0.159 4.481 4.640 0.000 0.000 0.203 121 D C 2.056 178.351 176.300 -0.008 0.000 0.969 121 D CA 0.964 54.960 54.000 -0.007 0.000 0.842 121 D CB -0.066 40.729 40.800 -0.007 0.000 0.957 121 D HN 0.263 nan 8.370 nan 0.000 0.484 122 K N 0.771 121.168 120.400 -0.004 0.000 2.025 122 K HA -0.040 4.280 4.320 0.000 0.000 0.207 122 K C 2.029 178.627 176.600 -0.004 0.000 1.049 122 K CA 1.150 57.435 56.287 -0.004 0.000 0.933 122 K CB -0.033 32.466 32.500 -0.002 0.000 0.714 122 K HN -0.015 nan 8.250 nan 0.000 0.438 123 A N 0.570 123.389 122.820 -0.002 0.000 1.892 123 A HA -0.157 4.163 4.320 0.000 0.000 0.218 123 A C 2.254 179.836 177.584 -0.003 0.000 1.188 123 A CA 1.941 53.978 52.037 -0.001 0.000 0.631 123 A CB -0.822 18.179 19.000 0.002 0.000 0.822 123 A HN 0.190 nan 8.150 nan 0.000 0.447 124 V N -0.587 119.323 119.914 -0.006 0.000 2.358 124 V HA -0.209 3.911 4.120 0.000 0.000 0.246 124 V C 2.738 178.823 176.094 -0.015 0.000 1.047 124 V CA 2.409 64.703 62.300 -0.011 0.000 1.035 124 V CB -1.178 30.635 31.823 -0.017 0.000 0.658 124 V HN 0.617 nan 8.190 nan 0.000 0.452 125 T N 0.217 114.762 114.554 -0.015 0.000 2.684 125 T HA -0.190 4.160 4.350 0.000 0.000 0.267 125 T C 1.910 176.603 174.700 -0.010 0.000 1.036 125 T CA 1.913 64.004 62.100 -0.015 0.000 1.148 125 T CB -0.241 68.619 68.868 -0.013 0.000 0.863 125 T HN 0.308 nan 8.240 nan 0.000 0.436 126 V N 1.564 121.474 119.914 -0.006 0.000 2.358 126 V HA -0.084 4.036 4.120 0.000 0.000 0.246 126 V C 2.853 178.946 176.094 -0.001 0.000 1.047 126 V CA 1.470 63.769 62.300 -0.003 0.000 1.035 126 V CB -1.191 30.631 31.823 -0.001 0.000 0.658 126 V HN 0.513 nan 8.190 nan 0.000 0.452 127 A N -0.362 122.457 122.820 -0.001 0.000 2.019 127 A HA -0.134 4.186 4.320 0.000 0.000 0.219 127 A C 2.384 179.968 177.584 -0.000 0.000 1.164 127 A CA 1.857 53.895 52.037 0.001 0.000 0.644 127 A CB -0.525 18.477 19.000 0.003 0.000 0.805 127 A HN 0.338 nan 8.150 nan 0.000 0.449 128 V N -0.066 119.844 119.914 -0.006 0.000 2.407 128 V HA -0.216 3.904 4.120 0.000 0.000 0.245 128 V C 2.352 178.443 176.094 -0.005 0.000 1.041 128 V CA 2.151 64.446 62.300 -0.009 0.000 1.040 128 V CB -0.644 31.167 31.823 -0.020 0.000 0.671 128 V HN 0.685 nan 8.190 nan 0.000 0.455 129 E N -0.274 119.924 120.200 -0.004 0.000 2.058 129 E HA -0.227 4.124 4.350 0.000 0.000 0.194 129 E C 2.228 178.830 176.600 0.003 0.000 0.997 129 E CA 1.341 57.740 56.400 -0.001 0.000 0.801 129 E CB -0.177 29.522 29.700 -0.001 0.000 0.746 129 E HN 0.552 nan 8.360 nan 0.000 0.450 130 E N 0.855 121.057 120.200 0.004 0.000 2.097 130 E HA -0.201 4.149 4.350 0.000 0.000 0.196 130 E C 2.298 178.904 176.600 0.010 0.000 1.000 130 E CA 0.899 57.303 56.400 0.008 0.000 0.804 130 E CB -0.283 29.422 29.700 0.010 0.000 0.740 130 E HN 0.339 nan 8.360 nan 0.000 0.454 131 L N 0.672 121.901 121.223 0.009 0.000 2.079 131 L HA -0.203 4.137 4.340 0.000 0.000 0.210 131 L C 2.651 179.527 176.870 0.010 0.000 1.081 131 L CA 1.289 56.135 54.840 0.011 0.000 0.752 131 L CB -0.368 41.696 42.059 0.009 0.000 0.896 131 L HN 0.057 nan 8.230 nan 0.000 0.433 132 K N -0.026 120.378 120.400 0.007 0.000 2.097 132 K HA -0.148 4.173 4.320 0.000 0.000 0.206 132 K C 2.015 178.620 176.600 0.008 0.000 1.049 132 K CA 1.361 57.651 56.287 0.006 0.000 0.933 132 K CB -0.080 32.421 32.500 0.003 0.000 0.717 132 K HN 0.307 nan 8.250 nan 0.000 0.442 133 A N -0.047 122.778 122.820 0.009 0.000 2.123 133 A HA 0.024 4.344 4.320 0.000 0.000 0.214 133 A C 1.704 179.296 177.584 0.014 0.000 1.152 133 A CA 0.469 52.512 52.037 0.010 0.000 0.728 133 A CB -0.061 18.945 19.000 0.009 0.000 0.814 133 A HN 0.289 nan 8.150 nan 0.000 0.464 134 L N -0.694 120.538 121.223 0.016 0.000 2.509 134 L HA 0.223 4.563 4.340 0.000 0.000 0.222 134 L C 1.165 178.046 176.870 0.019 0.000 1.123 134 L CA 0.477 55.329 54.840 0.020 0.000 0.856 134 L CB -0.032 42.040 42.059 0.023 0.000 0.985 134 L HN 0.223 nan 8.230 nan 0.000 0.456 135 S N -0.710 114.999 115.700 0.016 0.000 2.549 135 S HA 0.257 4.727 4.470 0.000 0.000 0.283 135 S C -0.188 174.420 174.600 0.014 0.000 1.320 135 S CA -0.533 57.676 58.200 0.015 0.000 1.058 135 S CB 0.508 63.716 63.200 0.012 0.000 0.882 135 S HN 0.003 nan 8.310 nan 0.000 0.498 136 V N 8.553 128.476 119.914 0.015 0.000 2.407 136 V HA 0.406 4.526 4.120 0.000 0.000 0.278 136 V C -1.817 174.284 176.094 0.012 0.000 1.037 136 V CA -1.779 60.529 62.300 0.013 0.000 0.900 136 V CB 1.273 33.105 31.823 0.015 0.000 0.983 136 V HN 0.782 nan 8.190 nan 0.000 0.459 137 P HA 0.109 nan 4.420 nan 0.000 0.271 137 P C -0.591 176.715 177.300 0.009 0.000 1.218 137 P CA -0.255 62.851 63.100 0.009 0.000 0.780 137 P CB 0.889 32.593 31.700 0.008 0.000 0.901 138 C N 3.195 122.500 119.300 0.009 0.000 2.492 138 C HA 0.493 4.953 4.460 0.000 0.000 0.284 138 C C 0.942 175.936 174.990 0.007 0.000 1.082 138 C CA 0.216 59.239 59.018 0.008 0.000 1.555 138 C CB -1.463 26.283 27.740 0.010 0.000 1.798 138 C HN 0.652 nan 8.230 nan 0.000 0.413 139 S N 1.505 117.209 115.700 0.007 0.000 2.911 139 S HA 0.223 4.694 4.470 0.000 0.000 0.261 139 S C -0.380 174.223 174.600 0.005 0.000 1.021 139 S CA -0.273 57.931 58.200 0.006 0.000 1.222 139 S CB -0.189 63.014 63.200 0.005 0.000 1.171 139 S HN 0.845 nan 8.310 nan 0.000 0.669 140 D N 0.586 120.989 120.400 0.005 0.000 2.340 140 D HA 0.444 5.084 4.640 0.000 0.000 0.243 140 D C 0.635 176.938 176.300 0.005 0.000 0.988 140 D CA -0.597 53.406 54.000 0.004 0.000 0.959 140 D CB 1.596 42.398 40.800 0.004 0.000 1.226 140 D HN -0.084 nan 8.370 nan 0.000 0.509 141 S N -0.140 115.563 115.700 0.004 0.000 2.374 141 S HA -0.185 4.286 4.470 0.000 0.000 0.227 141 S C 1.569 176.171 174.600 0.004 0.000 1.037 141 S CA 1.328 59.530 58.200 0.004 0.000 1.024 141 S CB -0.159 63.043 63.200 0.003 0.000 0.861 141 S HN 0.440 nan 8.310 nan 0.000 0.456 142 K N 2.173 122.575 120.400 0.004 0.000 2.026 142 K HA 0.102 4.422 4.320 0.000 0.000 0.208 142 K C 2.151 178.753 176.600 0.004 0.000 1.048 142 K CA 1.446 57.735 56.287 0.004 0.000 0.929 142 K CB -1.460 31.042 32.500 0.003 0.000 0.713 142 K HN 0.349 nan 8.250 nan 0.000 0.439 143 A N 1.391 124.214 122.820 0.005 0.000 1.933 143 A HA -0.087 4.233 4.320 0.000 0.000 0.218 143 A C 2.390 179.977 177.584 0.006 0.000 1.175 143 A CA 1.390 53.430 52.037 0.006 0.000 0.628 143 A CB -0.723 18.281 19.000 0.006 0.000 0.814 143 A HN 0.241 nan 8.150 nan 0.000 0.444 144 I N -0.335 120.239 120.570 0.006 0.000 2.179 144 I HA -0.287 3.883 4.170 0.000 0.000 0.242 144 I C 2.993 179.114 176.117 0.007 0.000 1.088 144 I CA 1.058 62.363 61.300 0.007 0.000 1.357 144 I CB -0.359 37.645 38.000 0.007 0.000 1.051 144 I HN 0.365 nan 8.210 nan 0.000 0.409 145 A N 0.079 122.902 122.820 0.005 0.000 1.908 145 A HA -0.282 4.038 4.320 0.000 0.000 0.218 145 A C 2.253 179.839 177.584 0.003 0.000 1.181 145 A CA 1.723 53.763 52.037 0.004 0.000 0.627 145 A CB -0.677 18.325 19.000 0.003 0.000 0.818 145 A HN 0.450 nan 8.150 nan 0.000 0.445 146 Q N -0.715 119.087 119.800 0.003 0.000 2.061 146 Q HA -0.134 4.207 4.340 0.000 0.000 0.204 146 Q C 2.157 178.158 176.000 0.003 0.000 0.984 146 Q CA 1.910 57.714 55.803 0.002 0.000 0.846 146 Q CB -0.305 28.434 28.738 0.003 0.000 0.902 146 Q HN 0.483 nan 8.270 nan 0.000 0.421 147 V N -0.103 119.814 119.914 0.005 0.000 2.427 147 V HA -0.172 3.948 4.120 0.000 0.000 0.248 147 V C 2.106 178.203 176.094 0.006 0.000 1.051 147 V CA 1.862 64.165 62.300 0.006 0.000 1.048 147 V CB -0.946 30.883 31.823 0.010 0.000 0.666 147 V HN 0.550 nan 8.190 nan 0.000 0.456 148 G N -0.335 108.469 108.800 0.006 0.000 2.402 148 G HA2 -0.284 3.676 3.960 0.000 0.000 0.216 148 G HA3 -0.284 3.676 3.960 0.000 0.000 0.216 148 G C 1.821 176.721 174.900 0.001 0.000 1.162 148 G CA 1.510 46.613 45.100 0.006 0.000 0.777 148 G HN 0.511 nan 8.290 nan 0.000 0.539 149 T N -0.201 114.353 114.554 -0.000 0.000 2.867 149 T HA 0.020 4.370 4.350 0.000 0.000 0.268 149 T C 2.393 177.090 174.700 -0.005 0.000 1.057 149 T CA 1.071 63.169 62.100 -0.003 0.000 1.136 149 T CB -0.226 68.640 68.868 -0.003 0.000 0.874 149 T HN 0.238 nan 8.240 nan 0.000 0.466 150 I N 1.556 122.124 120.570 -0.004 0.000 2.286 150 I HA -0.091 4.079 4.170 0.000 0.000 0.245 150 I C 2.711 178.824 176.117 -0.007 0.000 1.104 150 I CA 1.286 62.582 61.300 -0.006 0.000 1.397 150 I CB -0.230 37.767 38.000 -0.005 0.000 1.072 150 I HN 0.283 nan 8.210 nan 0.000 0.417 151 S N 0.846 116.544 115.700 -0.003 0.000 2.507 151 S HA 0.030 4.500 4.470 0.000 0.000 0.235 151 S C 1.545 176.139 174.600 -0.010 0.000 0.988 151 S CA 0.835 59.032 58.200 -0.005 0.000 0.944 151 S CB -0.175 63.026 63.200 0.001 0.000 0.762 151 S HN 0.476 nan 8.310 nan 0.000 0.526 152 A N 1.482 124.296 122.820 -0.011 0.000 2.610 152 A HA 0.386 4.706 4.320 0.000 0.000 0.286 152 A C 0.632 178.208 177.584 -0.014 0.000 1.306 152 A CA -0.529 51.499 52.037 -0.014 0.000 0.942 152 A CB -0.517 18.475 19.000 -0.013 0.000 1.112 152 A HN 0.415 nan 8.150 nan 0.000 0.527 153 N N 0.211 118.902 118.700 -0.013 0.000 2.783 153 N HA -0.198 4.542 4.740 0.000 0.000 0.247 153 N C 0.033 175.535 175.510 -0.013 0.000 1.089 153 N CA 0.827 53.868 53.050 -0.014 0.000 0.690 153 N CB -1.065 37.413 38.487 -0.015 0.000 0.991 153 N HN 0.486 nan 8.380 nan 0.000 0.552 154 S N -1.079 114.614 115.700 -0.012 0.000 3.482 154 S HA -0.202 4.268 4.470 0.000 0.000 0.294 154 S C -0.317 174.277 174.600 -0.009 0.000 1.244 154 S CA 1.038 59.232 58.200 -0.011 0.000 0.911 154 S CB -0.739 62.454 63.200 -0.012 0.000 1.070 154 S HN 0.685 nan 8.310 nan 0.000 0.614 155 D N 1.715 122.110 120.400 -0.009 0.000 2.422 155 D HA 0.335 4.976 4.640 0.000 0.000 0.227 155 D C 1.178 177.475 176.300 -0.006 0.000 1.190 155 D CA -0.260 53.735 54.000 -0.008 0.000 0.905 155 D CB 0.622 41.416 40.800 -0.009 0.000 1.034 155 D HN 0.627 nan 8.370 nan 0.000 0.507 156 E N 0.953 121.150 120.200 -0.006 0.000 2.209 156 E HA -0.216 4.134 4.350 0.000 0.000 0.196 156 E C 1.311 177.908 176.600 -0.004 0.000 0.993 156 E CA 1.402 57.799 56.400 -0.004 0.000 0.819 156 E CB -0.304 29.394 29.700 -0.004 0.000 0.745 156 E HN 0.284 nan 8.360 nan 0.000 0.477 157 T N 0.543 115.094 114.554 -0.004 0.000 2.684 157 T HA -0.149 4.201 4.350 0.000 0.000 0.267 157 T C 1.972 176.670 174.700 -0.004 0.000 1.036 157 T CA 1.542 63.639 62.100 -0.004 0.000 1.148 157 T CB -0.388 68.477 68.868 -0.005 0.000 0.863 157 T HN 0.075 nan 8.240 nan 0.000 0.436 158 V N 1.395 121.306 119.914 -0.005 0.000 2.295 158 V HA -0.098 4.023 4.120 0.000 0.000 0.246 158 V C 2.886 178.978 176.094 -0.002 0.000 1.049 158 V CA 1.962 64.259 62.300 -0.005 0.000 1.024 158 V CB -1.440 30.378 31.823 -0.008 0.000 0.648 158 V HN 0.606 nan 8.190 nan 0.000 0.447 159 G N -0.560 108.239 108.800 -0.002 0.000 2.491 159 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 159 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 159 G C 1.656 176.556 174.900 0.001 0.000 1.180 159 G CA 1.204 46.304 45.100 0.001 0.000 0.774 159 G HN 0.442 nan 8.290 nan 0.000 0.562 160 K N -0.363 120.037 120.400 0.000 0.000 2.059 160 K HA -0.081 4.240 4.320 0.000 0.000 0.212 160 K C 2.598 179.198 176.600 0.001 0.000 1.050 160 K CA 1.335 57.622 56.287 0.001 0.000 0.927 160 K CB -0.313 32.187 32.500 -0.000 0.000 0.714 160 K HN 0.311 nan 8.250 nan 0.000 0.447 161 L N 0.727 121.950 121.223 0.001 0.000 2.017 161 L HA -0.218 4.122 4.340 0.000 0.000 0.208 161 L C 2.307 179.179 176.870 0.004 0.000 1.073 161 L CA 0.715 55.556 54.840 0.001 0.000 0.745 161 L CB -0.425 41.634 42.059 -0.000 0.000 0.894 161 L HN 0.223 nan 8.230 nan 0.000 0.432 162 I N 0.352 120.925 120.570 0.006 0.000 2.151 162 I HA -0.315 3.855 4.170 0.000 0.000 0.243 162 I C 2.837 178.959 176.117 0.008 0.000 1.080 162 I CA 1.845 63.150 61.300 0.010 0.000 1.339 162 I CB -1.549 36.459 38.000 0.012 0.000 1.039 162 I HN 0.220 nan 8.210 nan 0.000 0.409 163 A N 0.308 123.131 122.820 0.006 0.000 1.933 163 A HA -0.204 4.117 4.320 0.000 0.000 0.218 163 A C 2.290 179.877 177.584 0.005 0.000 1.175 163 A CA 1.548 53.588 52.037 0.006 0.000 0.628 163 A CB -0.606 18.397 19.000 0.004 0.000 0.814 163 A HN 0.480 nan 8.150 nan 0.000 0.444 164 E N -0.334 119.868 120.200 0.004 0.000 2.077 164 E HA -0.096 4.254 4.350 0.000 0.000 0.193 164 E C 2.371 178.973 176.600 0.003 0.000 0.989 164 E CA 0.896 57.298 56.400 0.003 0.000 0.800 164 E CB -0.278 29.423 29.700 0.002 0.000 0.746 164 E HN 0.613 nan 8.360 nan 0.000 0.452 165 A N 1.037 123.860 122.820 0.005 0.000 1.865 165 A HA -0.242 4.078 4.320 0.000 0.000 0.217 165 A C 2.152 179.739 177.584 0.005 0.000 1.191 165 A CA 1.668 53.708 52.037 0.005 0.000 0.623 165 A CB -0.559 18.446 19.000 0.008 0.000 0.826 165 A HN 0.196 nan 8.150 nan 0.000 0.444 166 M N -1.065 118.539 119.600 0.006 0.000 2.279 166 M HA -0.168 4.312 4.480 0.000 0.000 0.264 166 M C 1.708 178.010 176.300 0.004 0.000 1.062 166 M CA 1.939 57.242 55.300 0.006 0.000 1.099 166 M CB -0.229 32.376 32.600 0.007 0.000 1.394 166 M HN 0.620 nan 8.290 nan 0.000 0.426 167 D N -0.177 120.225 120.400 0.004 0.000 2.162 167 D HA -0.138 4.502 4.640 0.000 0.000 0.203 167 D C 1.846 178.148 176.300 0.002 0.000 0.967 167 D CA 1.115 55.116 54.000 0.003 0.000 0.840 167 D CB 0.221 41.023 40.800 0.002 0.000 0.972 167 D HN 0.057 nan 8.370 nan 0.000 0.482 168 K N -0.950 119.451 120.400 0.002 0.000 2.217 168 K HA 0.079 4.399 4.320 0.000 0.000 0.202 168 K C 1.003 177.604 176.600 0.001 0.000 1.051 168 K CA 0.551 56.839 56.287 0.002 0.000 0.952 168 K CB 0.353 32.854 32.500 0.001 0.000 0.736 168 K HN 0.052 nan 8.250 nan 0.000 0.453 169 V N -0.766 119.149 119.914 0.002 0.000 3.372 169 V HA 0.321 4.441 4.120 0.000 0.000 0.304 169 V C -0.485 175.610 176.094 0.001 0.000 1.530 169 V CA 0.409 62.710 62.300 0.002 0.000 1.080 169 V CB 0.643 32.467 31.823 0.002 0.000 0.929 169 V HN 0.454 nan 8.190 nan 0.000 0.455 170 G N 0.875 109.676 108.800 0.001 0.000 2.692 170 G HA2 -0.169 3.792 3.960 0.000 0.000 0.686 170 G HA3 -0.169 3.792 3.960 0.000 0.000 0.686 170 G C 0.096 174.997 174.900 0.002 0.000 1.243 170 G CA 0.069 45.170 45.100 0.001 0.000 0.782 170 G HN 0.255 nan 8.290 nan 0.000 0.625 171 K N 0.108 120.509 120.400 0.002 0.000 2.097 171 K HA -0.047 4.273 4.320 0.000 0.000 0.205 171 K C 1.795 178.395 176.600 0.001 0.000 1.050 171 K CA 1.627 57.915 56.287 0.003 0.000 0.938 171 K CB 0.005 32.506 32.500 0.003 0.000 0.718 171 K HN 0.384 nan 8.250 nan 0.000 0.442 172 E N 0.383 120.583 120.200 -0.001 0.000 2.489 172 E HA 0.052 4.402 4.350 0.000 0.000 0.193 172 E C 0.636 177.234 176.600 -0.004 0.000 1.057 172 E CA 0.021 56.419 56.400 -0.004 0.000 0.866 172 E CB -0.100 29.598 29.700 -0.003 0.000 0.916 172 E HN 0.289 nan 8.360 nan 0.000 0.500 173 G N 0.366 109.165 108.800 -0.002 0.000 2.634 173 G HA2 0.219 4.180 3.960 0.000 0.000 0.255 173 G HA3 0.219 4.180 3.960 0.000 0.000 0.255 173 G C -0.346 174.553 174.900 -0.003 0.000 1.205 173 G CA -0.333 44.766 45.100 -0.002 0.000 0.884 173 G HN 0.129 nan 8.290 nan 0.000 0.549 174 V N 0.586 120.499 119.914 -0.003 0.000 2.465 174 V HA 0.681 4.801 4.120 0.000 0.000 0.279 174 V C -0.314 175.780 176.094 -0.000 0.000 1.045 174 V CA -0.692 61.605 62.300 -0.005 0.000 0.938 174 V CB 0.467 32.285 31.823 -0.009 0.000 0.986 174 V HN 0.463 nan 8.190 nan 0.000 0.467 175 I N 6.703 127.276 120.570 0.004 0.000 2.468 175 I HA 0.450 4.620 4.170 0.000 0.000 0.285 175 I C 0.184 176.312 176.117 0.019 0.000 1.039 175 I CA -0.379 60.928 61.300 0.012 0.000 1.074 175 I CB 2.254 40.265 38.000 0.018 0.000 1.228 175 I HN 0.780 nan 8.210 nan 0.000 0.436 176 T N 2.756 117.318 114.554 0.014 0.000 2.948 176 T HA 0.787 5.137 4.350 0.000 0.000 0.285 176 T C -0.327 174.382 174.700 0.015 0.000 1.019 176 T CA -0.828 61.283 62.100 0.019 0.000 1.013 176 T CB 2.299 71.172 68.868 0.009 0.000 1.117 176 T HN 0.184 nan 8.240 nan 0.000 0.533 177 V N 1.001 120.923 119.914 0.014 0.000 2.604 177 V HA 0.607 4.727 4.120 0.000 0.000 0.305 177 V C -0.382 175.712 176.094 0.000 0.000 1.043 177 V CA -0.793 61.510 62.300 0.005 0.000 0.888 177 V CB 1.457 33.279 31.823 -0.001 0.000 0.995 177 V HN 1.004 nan 8.190 nan 0.000 0.429 178 E N 1.180 121.378 120.200 -0.003 0.000 2.433 178 E HA 0.424 4.774 4.350 0.000 0.000 0.273 178 E C -1.576 175.021 176.600 -0.006 0.000 0.950 178 E CA -1.137 55.261 56.400 -0.004 0.000 0.796 178 E CB 1.603 31.300 29.700 -0.005 0.000 1.330 178 E HN 0.634 nan 8.360 nan 0.000 0.455 179 D N 0.827 121.224 120.400 -0.006 0.000 2.506 179 D HA 0.156 4.797 4.640 0.000 0.000 0.234 179 D C 0.230 176.527 176.300 -0.006 0.000 1.143 179 D CA 0.547 54.544 54.000 -0.006 0.000 0.871 179 D CB 0.585 41.382 40.800 -0.006 0.000 1.190 179 D HN 0.483 nan 8.370 nan 0.000 0.459 180 G N -0.425 108.371 108.800 -0.006 0.000 2.557 180 G HA2 0.393 4.353 3.960 0.000 0.000 0.292 180 G HA3 0.393 4.353 3.960 0.000 0.000 0.292 180 G C 0.713 175.610 174.900 -0.005 0.000 1.237 180 G CA -0.130 44.967 45.100 -0.005 0.000 0.978 180 G HN 0.484 nan 8.290 nan 0.000 0.498 181 T N -3.761 110.790 114.554 -0.004 0.000 2.975 181 T HA 0.520 4.870 4.350 0.000 0.000 0.257 181 T C 0.924 175.621 174.700 -0.004 0.000 1.003 181 T CA 0.725 62.823 62.100 -0.004 0.000 0.932 181 T CB 0.651 69.517 68.868 -0.005 0.000 1.087 181 T HN 1.135 nan 8.240 nan 0.000 0.512 182 G N 1.010 109.808 108.800 -0.004 0.000 2.827 182 G HA2 0.473 4.434 3.960 0.000 0.000 0.202 182 G HA3 0.473 4.434 3.960 0.000 0.000 0.202 182 G C -0.175 174.723 174.900 -0.003 0.000 1.185 182 G CA -0.126 44.972 45.100 -0.003 0.000 0.920 182 G HN 0.115 nan 8.290 nan 0.000 0.550 183 L N -0.047 121.174 121.223 -0.003 0.000 2.131 183 L HA 0.337 4.677 4.340 0.000 0.000 0.206 183 L C 1.026 177.894 176.870 -0.003 0.000 1.087 183 L CA 1.224 56.062 54.840 -0.003 0.000 0.767 183 L CB -0.495 41.563 42.059 -0.003 0.000 0.917 183 L HN 0.331 nan 8.230 nan 0.000 0.441 184 Q N 1.505 121.303 119.800 -0.003 0.000 2.327 184 Q HA 0.123 4.463 4.340 0.000 0.000 0.254 184 Q C -0.707 175.291 176.000 -0.003 0.000 0.952 184 Q CA -0.131 55.670 55.803 -0.003 0.000 0.884 184 Q CB 0.540 29.276 28.738 -0.003 0.000 1.224 184 Q HN 0.289 nan 8.270 nan 0.000 0.422 185 D N 1.923 122.321 120.400 -0.003 0.000 2.341 185 D HA 0.170 4.811 4.640 0.000 0.000 0.245 185 D C 0.013 176.311 176.300 -0.003 0.000 1.106 185 D CA 0.125 54.123 54.000 -0.003 0.000 0.905 185 D CB 1.057 41.855 40.800 -0.003 0.000 1.202 185 D HN 0.313 nan 8.370 nan 0.000 0.426 186 E N 0.527 120.726 120.200 -0.003 0.000 2.312 186 E HA 0.582 4.932 4.350 0.000 0.000 0.267 186 E C -0.936 175.663 176.600 -0.002 0.000 0.894 186 E CA -1.069 55.330 56.400 -0.002 0.000 0.773 186 E CB 2.706 32.404 29.700 -0.003 0.000 1.241 186 E HN 0.104 nan 8.360 nan 0.000 0.432 187 L N 2.119 123.341 121.223 -0.001 0.000 2.439 187 L HA 0.433 4.773 4.340 0.000 0.000 0.270 187 L C -2.016 174.853 176.870 -0.001 0.000 0.972 187 L CA -0.254 54.585 54.840 -0.001 0.000 0.836 187 L CB 1.509 43.568 42.059 0.000 0.000 1.255 187 L HN 0.581 nan 8.230 nan 0.000 0.404 188 D N 3.670 124.070 120.400 -0.001 0.000 2.602 188 D HA 0.477 5.117 4.640 0.000 0.000 0.236 188 D C -1.291 175.009 176.300 -0.001 0.000 1.209 188 D CA -0.486 53.513 54.000 -0.001 0.000 0.831 188 D CB 2.025 42.823 40.800 -0.002 0.000 1.478 188 D HN 0.277 nan 8.370 nan 0.000 0.438 189 V N 0.544 120.458 119.914 -0.001 0.000 2.483 189 V HA 0.642 4.762 4.120 0.000 0.000 0.295 189 V C -0.046 176.048 176.094 -0.001 0.000 1.035 189 V CA -0.639 61.661 62.300 -0.000 0.000 0.896 189 V CB 1.575 33.398 31.823 0.000 0.000 0.986 189 V HN 0.562 nan 8.190 nan 0.000 0.447 190 V N 2.670 122.583 119.914 -0.001 0.000 3.130 190 V HA 0.514 4.634 4.120 0.000 0.000 0.310 190 V C -0.556 175.538 176.094 0.001 0.000 1.158 190 V CA -0.809 61.491 62.300 -0.001 0.000 1.029 190 V CB 2.676 34.498 31.823 -0.003 0.000 1.057 190 V HN 0.862 nan 8.190 nan 0.000 0.436 191 E N 1.713 121.914 120.200 0.001 0.000 2.384 191 E HA 0.567 4.918 4.350 0.000 0.000 0.266 191 E C 0.265 176.870 176.600 0.008 0.000 1.012 191 E CA 0.654 57.057 56.400 0.005 0.000 0.901 191 E CB 1.136 30.839 29.700 0.004 0.000 0.967 191 E HN 0.994 nan 8.360 nan 0.000 0.435 192 G N 0.860 109.668 108.800 0.014 0.000 2.341 192 G HA2 0.514 4.474 3.960 0.000 0.000 0.299 192 G HA3 0.514 4.474 3.960 0.000 0.000 0.299 192 G C -1.319 173.599 174.900 0.030 0.000 1.274 192 G CA -0.650 44.462 45.100 0.020 0.000 0.853 192 G HN 0.422 nan 8.290 nan 0.000 0.493 193 M N 0.037 119.661 119.600 0.039 0.000 2.529 193 M HA 0.444 4.924 4.480 0.000 0.000 0.291 193 M C -2.138 174.196 176.300 0.057 0.000 1.093 193 M CA -0.532 54.808 55.300 0.065 0.000 0.890 193 M CB 2.317 34.986 32.600 0.115 0.000 1.794 193 M HN 0.794 nan 8.290 nan 0.000 0.524 194 Q N 3.838 123.670 119.800 0.054 0.000 2.337 194 Q HA 0.746 5.086 4.340 0.000 0.000 0.270 194 Q C -2.039 174.009 176.000 0.080 0.000 1.043 194 Q CA -0.682 55.114 55.803 -0.013 0.000 0.794 194 Q CB 1.839 30.546 28.738 -0.051 0.000 1.281 194 Q HN 0.556 nan 8.270 nan 0.000 0.446 195 F N -0.194 119.748 119.950 -0.014 0.000 2.611 195 F HA 0.560 5.087 4.527 0.000 0.000 0.324 195 F C -0.743 175.046 175.800 -0.017 0.000 1.061 195 F CA -1.283 56.709 58.000 -0.014 0.000 0.954 195 F CB 1.096 40.090 39.000 -0.010 0.000 1.301 195 F HN 0.385 nan 8.300 nan 0.000 0.482 196 D N 1.746 122.267 120.400 0.201 0.000 2.845 196 D HA 0.260 4.900 4.640 0.000 0.000 0.235 196 D C -0.578 175.779 176.300 0.094 0.000 1.158 196 D CA 0.009 54.054 54.000 0.076 0.000 0.990 196 D CB -0.062 40.776 40.800 0.063 0.000 1.094 196 D HN 0.197 nan 8.370 nan 0.000 0.486 197 R N 0.662 121.196 120.500 0.056 0.000 2.533 197 R HA 0.587 4.928 4.340 0.000 0.000 0.288 197 R C 0.267 176.528 176.300 -0.066 0.000 1.039 197 R CA -0.733 55.410 56.100 0.072 0.000 0.909 197 R CB 1.891 32.368 30.300 0.295 0.000 1.195 197 R HN 0.295 nan 8.270 nan 0.000 0.438 198 G N 1.129 109.863 108.800 -0.110 0.000 2.568 198 G HA2 0.387 4.347 3.960 0.000 0.000 0.293 198 G HA3 0.387 4.347 3.960 0.000 0.000 0.293 198 G C -0.592 174.238 174.900 -0.117 0.000 1.347 198 G CA -0.486 44.472 45.100 -0.236 0.000 1.039 198 G HN 0.463 nan 8.290 nan 0.000 0.523 199 Y N -1.219 119.110 120.300 0.048 0.000 2.578 199 Y HA 0.330 4.880 4.550 0.000 0.000 0.339 199 Y C 1.203 177.196 175.900 0.154 0.000 1.231 199 Y CA -0.950 57.219 58.100 0.116 0.000 1.461 199 Y CB 0.419 38.989 38.460 0.182 0.000 1.323 199 Y HN 0.185 nan 8.280 nan 0.000 0.590 200 L N 1.704 123.216 121.223 0.483 0.000 2.341 200 L HA 0.062 4.402 4.340 0.000 0.000 0.214 200 L C 0.746 177.835 176.870 0.365 0.000 1.115 200 L CA 0.974 56.037 54.840 0.371 0.000 0.820 200 L CB -0.111 42.131 42.059 0.305 0.000 0.944 200 L HN 0.843 nan 8.230 nan 0.000 0.452 201 S N -2.270 113.673 115.700 0.404 0.000 2.549 201 S HA 0.409 4.879 4.470 0.000 0.000 0.280 201 S C -2.308 172.151 174.600 -0.236 0.000 1.109 201 S CA -1.279 56.947 58.200 0.043 0.000 0.905 201 S CB 1.838 64.956 63.200 -0.138 0.000 1.081 201 S HN -0.255 nan 8.310 nan 0.000 0.477 202 P HA -0.069 nan 4.420 nan 0.000 0.222 202 P C 0.397 177.249 177.300 -0.747 0.000 1.142 202 P CA 1.119 63.761 63.100 -0.763 0.000 0.788 202 P CB -0.215 31.127 31.700 -0.596 0.000 0.767 203 Y N -2.513 117.511 120.300 -0.460 0.000 2.457 203 Y HA -0.002 4.548 4.550 0.000 0.000 0.292 203 Y C 1.820 177.490 175.900 -0.383 0.000 1.125 203 Y CA 0.513 58.359 58.100 -0.423 0.000 1.254 203 Y CB -1.326 36.875 38.460 -0.431 0.000 1.012 203 Y HN -0.075 nan 8.280 nan 0.000 0.555 204 F N -0.108 119.796 119.950 -0.077 0.000 2.546 204 F HA -0.022 4.505 4.527 0.000 0.000 0.298 204 F C 0.943 176.682 175.800 -0.101 0.000 1.120 204 F CA -0.229 57.735 58.000 -0.060 0.000 1.456 204 F CB -0.973 38.006 39.000 -0.034 0.000 1.088 204 F HN -0.133 nan 8.300 nan 0.000 0.572 205 I N 2.797 123.327 120.570 -0.067 0.000 2.818 205 I HA -0.160 4.011 4.170 0.000 0.000 0.285 205 I C 0.865 176.969 176.117 -0.022 0.000 1.160 205 I CA 0.192 61.439 61.300 -0.088 0.000 1.370 205 I CB -0.032 37.850 38.000 -0.197 0.000 1.440 205 I HN 0.202 nan 8.210 nan 0.000 0.555 206 N N 5.734 124.442 118.700 0.013 0.000 2.299 206 N HA -0.019 4.722 4.740 0.000 0.000 0.187 206 N C 0.107 175.614 175.510 -0.004 0.000 1.099 206 N CA 0.239 53.294 53.050 0.009 0.000 0.867 206 N CB 0.299 38.801 38.487 0.025 0.000 0.974 206 N HN 0.388 nan 8.380 nan 0.000 0.477 207 K N 1.277 121.675 120.400 -0.003 0.000 2.533 207 K HA 0.243 4.563 4.320 0.000 0.000 0.207 207 K C -2.016 174.577 176.600 -0.012 0.000 1.052 207 K CA -1.693 54.591 56.287 -0.006 0.000 1.030 207 K CB 1.791 34.294 32.500 0.005 0.000 1.522 207 K HN 0.053 nan 8.250 nan 0.000 0.543 208 P HA -0.171 nan 4.420 nan 0.000 0.223 208 P C 0.256 177.543 177.300 -0.020 0.000 1.144 208 P CA 1.241 64.321 63.100 -0.033 0.000 0.783 208 P CB 0.430 32.100 31.700 -0.051 0.000 0.771 209 E N -0.603 119.588 120.200 -0.015 0.000 2.158 209 E HA -0.051 4.299 4.350 0.000 0.000 0.191 209 E C 1.687 178.286 176.600 -0.002 0.000 0.982 209 E CA 1.264 57.657 56.400 -0.011 0.000 0.823 209 E CB -1.340 28.353 29.700 -0.012 0.000 0.766 209 E HN 0.194 nan 8.360 nan 0.000 0.468 210 T N -0.519 114.039 114.554 0.006 0.000 3.081 210 T HA 0.208 4.558 4.350 0.000 0.000 0.250 210 T C 1.252 175.976 174.700 0.040 0.000 1.100 210 T CA 0.422 62.536 62.100 0.023 0.000 1.038 210 T CB 0.137 69.022 68.868 0.028 0.000 0.962 210 T HN 0.393 nan 8.240 nan 0.000 0.516 211 G N 1.795 110.612 108.800 0.028 0.000 2.305 211 G HA2 -0.039 3.921 3.960 0.000 0.000 0.287 211 G HA3 -0.039 3.921 3.960 0.000 0.000 0.287 211 G C 0.106 175.062 174.900 0.093 0.000 1.036 211 G CA 0.103 45.227 45.100 0.041 0.000 0.887 211 G HN 0.891 nan 8.290 nan 0.000 0.505 212 A N -1.276 121.586 122.820 0.070 0.000 2.322 212 A HA 0.916 5.236 4.320 0.000 0.000 0.327 212 A C -0.023 177.605 177.584 0.075 0.000 1.134 212 A CA -0.336 51.762 52.037 0.101 0.000 0.831 212 A CB 1.997 21.041 19.000 0.074 0.000 1.288 212 A HN 1.167 nan 8.150 nan 0.000 0.472 213 V N 0.957 120.934 119.914 0.106 0.000 2.398 213 V HA 0.507 4.627 4.120 0.000 0.000 0.286 213 V C -0.127 175.997 176.094 0.049 0.000 1.026 213 V CA -0.306 62.042 62.300 0.080 0.000 0.868 213 V CB 1.127 33.019 31.823 0.115 0.000 0.982 213 V HN 0.917 nan 8.190 nan 0.000 0.443 214 E N 4.486 124.705 120.200 0.032 0.000 2.283 214 E HA 0.591 4.942 4.350 0.000 0.000 0.258 214 E C -1.680 174.926 176.600 0.010 0.000 0.893 214 E CA -0.480 55.930 56.400 0.017 0.000 0.798 214 E CB 1.654 31.362 29.700 0.014 0.000 1.242 214 E HN 0.612 nan 8.360 nan 0.000 0.414 215 L N 3.170 124.394 121.223 0.002 0.000 2.346 215 L HA 0.510 4.850 4.340 0.000 0.000 0.276 215 L C -0.170 176.692 176.870 -0.013 0.000 1.006 215 L CA -0.918 53.920 54.840 -0.002 0.000 0.817 215 L CB 1.828 43.885 42.059 -0.004 0.000 1.272 215 L HN 0.377 nan 8.230 nan 0.000 0.421 216 E N 1.462 121.651 120.200 -0.017 0.000 2.151 216 E HA 0.262 4.612 4.350 0.000 0.000 0.275 216 E C -0.266 176.303 176.600 -0.051 0.000 0.936 216 E CA -0.558 55.825 56.400 -0.029 0.000 0.777 216 E CB 1.698 31.384 29.700 -0.022 0.000 1.108 216 E HN 0.613 nan 8.360 nan 0.000 0.401 217 S N 1.882 117.539 115.700 -0.071 0.000 3.559 217 S HA -0.120 4.351 4.470 0.000 0.000 0.369 217 S C -2.150 172.346 174.600 -0.174 0.000 0.987 217 S CA 0.319 58.445 58.200 -0.124 0.000 1.187 217 S CB -1.242 61.882 63.200 -0.126 0.000 0.914 217 S HN 0.484 nan 8.310 nan 0.000 0.480 218 P HA 0.410 nan 4.420 nan 0.000 0.278 218 P C 0.068 177.305 177.300 -0.106 0.000 1.238 218 P CA -0.524 62.529 63.100 -0.079 0.000 0.794 218 P CB 0.456 32.147 31.700 -0.015 0.000 0.955 219 F N 1.676 121.625 119.950 -0.001 0.000 2.410 219 F HA 0.319 4.846 4.527 0.000 0.000 0.334 219 F C 1.007 176.806 175.800 -0.001 0.000 1.134 219 F CA 0.207 58.207 58.000 -0.000 0.000 1.227 219 F CB 0.361 39.361 39.000 -0.001 0.000 1.194 219 F HN 0.103 nan 8.300 nan 0.000 0.571 220 I N 3.954 124.660 120.570 0.227 0.000 2.447 220 I HA 0.244 4.414 4.170 0.000 0.000 0.287 220 I C -1.252 174.923 176.117 0.096 0.000 1.023 220 I CA -0.829 60.544 61.300 0.122 0.000 1.083 220 I CB 1.763 39.817 38.000 0.090 0.000 1.245 220 I HN 0.254 nan 8.210 nan 0.000 0.434 221 L N 8.219 129.478 121.223 0.060 0.000 2.264 221 L HA 0.539 4.879 4.340 0.000 0.000 0.289 221 L C -1.098 175.785 176.870 0.021 0.000 1.044 221 L CA -0.034 54.823 54.840 0.029 0.000 0.807 221 L CB 0.727 42.792 42.059 0.010 0.000 1.192 221 L HN 0.456 nan 8.230 nan 0.000 0.425 222 L N 6.388 127.619 121.223 0.013 0.000 2.276 222 L HA 0.778 5.118 4.340 0.000 0.000 0.286 222 L C -0.108 176.759 176.870 -0.005 0.000 1.024 222 L CA -0.329 54.511 54.840 0.001 0.000 0.826 222 L CB 1.327 43.384 42.059 -0.003 0.000 1.211 222 L HN 0.804 nan 8.230 nan 0.000 0.422 223 A N 1.869 124.686 122.820 -0.005 0.000 2.375 223 A HA 0.411 4.731 4.320 0.000 0.000 0.291 223 A C -0.860 176.720 177.584 -0.006 0.000 1.160 223 A CA -0.545 51.489 52.037 -0.005 0.000 0.747 223 A CB 0.938 19.939 19.000 0.000 0.000 1.170 223 A HN 0.659 nan 8.150 nan 0.000 0.458 224 D N 2.626 123.021 120.400 -0.009 0.000 2.517 224 D HA 0.454 5.094 4.640 0.000 0.000 0.220 224 D C -0.060 176.240 176.300 -0.001 0.000 1.158 224 D CA 0.430 54.425 54.000 -0.009 0.000 0.992 224 D CB -0.430 40.361 40.800 -0.014 0.000 1.058 224 D HN 0.670 nan 8.370 nan 0.000 0.516 225 K N 0.136 120.539 120.400 0.005 0.000 3.076 225 K HA 0.185 4.505 4.320 0.000 0.000 0.314 225 K C -1.522 175.088 176.600 0.016 0.000 1.113 225 K CA -1.069 55.224 56.287 0.011 0.000 0.860 225 K CB 0.378 32.883 32.500 0.008 0.000 1.435 225 K HN -0.096 nan 8.250 nan 0.000 0.374 226 K N 1.494 121.906 120.400 0.019 0.000 2.276 226 K HA 0.353 4.673 4.320 0.000 0.000 0.283 226 K C -0.450 176.164 176.600 0.024 0.000 1.044 226 K CA -0.416 55.885 56.287 0.024 0.000 0.944 226 K CB 0.648 33.163 32.500 0.025 0.000 1.012 226 K HN 0.404 nan 8.250 nan 0.000 0.472 227 I N 2.998 123.585 120.570 0.029 0.000 2.310 227 I HA 0.009 4.180 4.170 0.000 0.000 0.287 227 I C 0.670 176.807 176.117 0.033 0.000 1.073 227 I CA 0.074 61.391 61.300 0.029 0.000 1.216 227 I CB 1.169 39.187 38.000 0.030 0.000 1.415 227 I HN 0.672 nan 8.210 nan 0.000 0.480 228 S N 3.637 119.353 115.700 0.027 0.000 2.452 228 S HA 0.155 4.625 4.470 0.000 0.000 0.225 228 S C 0.828 175.444 174.600 0.026 0.000 1.057 228 S CA 0.079 58.296 58.200 0.027 0.000 0.949 228 S CB 0.137 63.351 63.200 0.022 0.000 0.836 228 S HN 0.586 nan 8.310 nan 0.000 0.518 229 N N 1.501 120.214 118.700 0.021 0.000 2.524 229 N HA 0.267 5.007 4.740 0.000 0.000 0.283 229 N C 0.318 175.839 175.510 0.019 0.000 1.142 229 N CA -0.126 52.935 53.050 0.018 0.000 0.984 229 N CB 1.467 39.961 38.487 0.013 0.000 1.155 229 N HN 0.105 nan 8.380 nan 0.000 0.467 230 I N 1.791 122.372 120.570 0.018 0.000 3.427 230 I HA -0.030 4.141 4.170 0.000 0.000 0.288 230 I C 1.791 177.915 176.117 0.011 0.000 1.249 230 I CA 0.301 61.611 61.300 0.018 0.000 1.421 230 I CB 0.179 38.191 38.000 0.020 0.000 1.086 230 I HN 0.421 nan 8.210 nan 0.000 0.448 231 R N 1.079 121.584 120.500 0.009 0.000 2.119 231 R HA -0.233 4.107 4.340 0.000 0.000 0.246 231 R C 1.791 178.093 176.300 0.003 0.000 1.146 231 R CA 2.134 58.237 56.100 0.005 0.000 0.962 231 R CB -0.375 29.927 30.300 0.004 0.000 0.863 231 R HN 0.550 nan 8.270 nan 0.000 0.442 232 E N -0.120 120.082 120.200 0.004 0.000 2.274 232 E HA -0.114 4.236 4.350 0.000 0.000 0.194 232 E C 1.877 178.476 176.600 -0.002 0.000 0.996 232 E CA 0.660 57.060 56.400 0.001 0.000 0.840 232 E CB 0.005 29.707 29.700 0.003 0.000 0.772 232 E HN 0.243 nan 8.360 nan 0.000 0.491 233 M N 0.618 120.219 119.600 0.002 0.000 2.134 233 M HA -0.019 4.461 4.480 0.000 0.000 0.262 233 M C 2.404 178.700 176.300 -0.006 0.000 1.076 233 M CA 1.086 56.386 55.300 -0.000 0.000 1.143 233 M CB -0.877 31.729 32.600 0.010 0.000 1.346 233 M HN 0.128 nan 8.290 nan 0.000 0.421 234 L N 0.562 121.783 121.223 -0.003 0.000 2.011 234 L HA -0.277 4.064 4.340 0.000 0.000 0.225 234 L C -0.350 176.511 176.870 -0.014 0.000 1.084 234 L CA 2.044 56.881 54.840 -0.006 0.000 0.791 234 L CB -2.881 39.176 42.059 -0.003 0.000 0.898 234 L HN 0.187 nan 8.230 nan 0.000 0.440 235 P HA -0.158 nan 4.420 nan 0.000 0.216 235 P C 1.828 179.104 177.300 -0.040 0.000 1.153 235 P CA 1.708 64.792 63.100 -0.026 0.000 0.858 235 P CB -0.045 31.640 31.700 -0.024 0.000 0.789 236 V N 0.297 120.185 119.914 -0.044 0.000 2.302 236 V HA -0.167 3.953 4.120 0.000 0.000 0.243 236 V C 2.880 178.935 176.094 -0.065 0.000 1.036 236 V CA 1.242 63.501 62.300 -0.068 0.000 1.020 236 V CB -1.380 30.405 31.823 -0.063 0.000 0.657 236 V HN -0.021 nan 8.190 nan 0.000 0.453 237 L N -0.064 121.137 121.223 -0.036 0.000 2.089 237 L HA -0.285 4.056 4.340 0.000 0.000 0.213 237 L C 2.649 179.508 176.870 -0.018 0.000 1.079 237 L CA 1.948 56.777 54.840 -0.019 0.000 0.758 237 L CB -0.519 41.539 42.059 -0.002 0.000 0.891 237 L HN 0.469 nan 8.230 nan 0.000 0.433 238 E N -0.369 119.818 120.200 -0.022 0.000 2.046 238 E HA -0.174 4.176 4.350 0.000 0.000 0.190 238 E C 2.273 178.855 176.600 -0.029 0.000 0.982 238 E CA 1.047 57.437 56.400 -0.018 0.000 0.800 238 E CB -0.192 29.499 29.700 -0.016 0.000 0.756 238 E HN 0.487 nan 8.360 nan 0.000 0.449 239 A N 0.859 123.647 122.820 -0.054 0.000 2.024 239 A HA -0.160 4.160 4.320 0.000 0.000 0.220 239 A C 2.405 179.927 177.584 -0.102 0.000 1.164 239 A CA 1.161 53.150 52.037 -0.080 0.000 0.643 239 A CB -0.505 18.428 19.000 -0.112 0.000 0.806 239 A HN 0.122 nan 8.150 nan 0.000 0.451 240 V N -0.573 119.281 119.914 -0.100 0.000 2.346 240 V HA -0.145 3.975 4.120 0.000 0.000 0.244 240 V C 3.015 179.135 176.094 0.042 0.000 1.037 240 V CA 1.628 63.895 62.300 -0.056 0.000 1.029 240 V CB -1.066 30.738 31.823 -0.032 0.000 0.663 240 V HN 0.591 nan 8.190 nan 0.000 0.454 241 A N -0.654 122.181 122.820 0.024 0.000 1.978 241 A HA -0.254 4.066 4.320 0.000 0.000 0.220 241 A C 2.301 179.908 177.584 0.038 0.000 1.170 241 A CA 1.906 53.964 52.037 0.036 0.000 0.636 241 A CB -0.460 18.553 19.000 0.022 0.000 0.810 241 A HN 0.474 nan 8.150 nan 0.000 0.448 242 K N -0.753 119.662 120.400 0.026 0.000 2.211 242 K HA -0.007 4.313 4.320 0.000 0.000 0.203 242 K C 1.914 178.545 176.600 0.052 0.000 1.050 242 K CA 0.961 57.264 56.287 0.027 0.000 0.945 242 K CB -0.162 32.343 32.500 0.009 0.000 0.732 242 K HN 0.460 nan 8.250 nan 0.000 0.451 243 A N -0.217 122.657 122.820 0.089 0.000 2.178 243 A HA 0.168 4.488 4.320 0.000 0.000 0.211 243 A C 1.351 179.008 177.584 0.121 0.000 1.157 243 A CA 0.924 53.047 52.037 0.143 0.000 0.780 243 A CB -0.073 19.109 19.000 0.303 0.000 0.828 243 A HN 0.408 nan 8.150 nan 0.000 0.476 244 G N -0.628 108.232 108.800 0.100 0.000 2.168 244 G HA2 -0.291 3.669 3.960 0.000 0.000 0.263 244 G HA3 -0.291 3.669 3.960 0.000 0.000 0.263 244 G C 0.258 175.200 174.900 0.071 0.000 0.977 244 G CA 0.886 46.028 45.100 0.070 0.000 0.659 244 G HN 0.597 nan 8.290 nan 0.000 0.533 245 K N 1.081 121.548 120.400 0.113 0.000 2.087 245 K HA 0.559 4.879 4.320 0.000 0.000 0.255 245 K C -1.882 174.788 176.600 0.116 0.000 0.988 245 K CA -1.738 54.598 56.287 0.080 0.000 0.915 245 K CB 1.571 34.075 32.500 0.007 0.000 1.043 245 K HN 0.096 nan 8.250 nan 0.000 0.457 246 P HA 0.196 nan 4.420 nan 0.000 0.277 246 P C -1.377 175.985 177.300 0.104 0.000 1.271 246 P CA -0.570 62.573 63.100 0.071 0.000 0.795 246 P CB 0.652 32.373 31.700 0.034 0.000 1.101 247 L N 0.488 121.756 121.223 0.075 0.000 2.436 247 L HA 0.535 4.876 4.340 0.000 0.000 0.268 247 L C -1.514 175.365 176.870 0.015 0.000 0.974 247 L CA -0.968 53.921 54.840 0.081 0.000 0.826 247 L CB 1.673 43.779 42.059 0.078 0.000 1.291 247 L HN 0.138 nan 8.230 nan 0.000 0.406 248 L N 5.883 127.121 121.223 0.025 0.000 2.275 248 L HA 0.586 4.926 4.340 0.000 0.000 0.288 248 L C -0.921 175.949 176.870 0.000 0.000 1.046 248 L CA -0.115 54.719 54.840 -0.011 0.000 0.805 248 L CB 0.937 43.005 42.059 0.015 0.000 1.193 248 L HN 0.480 nan 8.230 nan 0.000 0.426 249 I N 7.146 127.695 120.570 -0.036 0.000 2.304 249 I HA 0.267 4.437 4.170 0.000 0.000 0.291 249 I C -0.177 175.949 176.117 0.014 0.000 1.018 249 I CA -0.167 61.127 61.300 -0.010 0.000 1.260 249 I CB 0.897 38.883 38.000 -0.024 0.000 1.390 249 I HN 0.553 nan 8.210 nan 0.000 0.475 250 I N 6.072 126.663 120.570 0.034 0.000 2.371 250 I HA 0.557 4.727 4.170 0.000 0.000 0.282 250 I C 0.317 176.443 176.117 0.016 0.000 1.031 250 I CA -0.185 61.142 61.300 0.045 0.000 1.180 250 I CB 1.294 39.326 38.000 0.052 0.000 1.336 250 I HN 0.655 nan 8.210 nan 0.000 0.467 251 A N 4.595 127.428 122.820 0.021 0.000 2.486 251 A HA 0.444 4.765 4.320 0.000 0.000 0.289 251 A C 0.865 178.460 177.584 0.018 0.000 1.176 251 A CA -0.548 51.498 52.037 0.014 0.000 0.757 251 A CB 1.424 20.436 19.000 0.020 0.000 1.337 251 A HN 0.712 nan 8.150 nan 0.000 0.423 252 E N -0.602 119.608 120.200 0.017 0.000 2.058 252 E HA -0.177 4.173 4.350 0.000 0.000 0.194 252 E C -0.303 176.319 176.600 0.037 0.000 0.997 252 E CA 1.817 58.232 56.400 0.024 0.000 0.801 252 E CB 0.115 29.830 29.700 0.025 0.000 0.746 252 E HN 0.595 nan 8.360 nan 0.000 0.450 253 D N -2.006 118.418 120.400 0.039 0.000 2.623 253 D HA 0.246 4.887 4.640 0.000 0.000 0.241 253 D C -1.899 174.433 176.300 0.053 0.000 1.241 253 D CA -0.563 53.467 54.000 0.050 0.000 0.788 253 D CB 2.286 43.114 40.800 0.046 0.000 1.413 253 D HN -0.123 nan 8.370 nan 0.000 0.429 254 V N 2.232 122.187 119.914 0.068 0.000 2.409 254 V HA 0.433 4.554 4.120 0.000 0.000 0.290 254 V C -0.021 176.122 176.094 0.082 0.000 1.017 254 V CA -0.628 61.718 62.300 0.075 0.000 0.841 254 V CB 1.502 33.380 31.823 0.092 0.000 1.003 254 V HN 0.419 nan 8.190 nan 0.000 0.426 255 E N 2.285 122.523 120.200 0.065 0.000 2.232 255 E HA 0.570 4.921 4.350 0.000 0.000 0.264 255 E C 1.299 177.932 176.600 0.055 0.000 0.973 255 E CA 0.041 56.476 56.400 0.057 0.000 0.849 255 E CB 1.926 31.651 29.700 0.043 0.000 1.198 255 E HN 0.715 nan 8.360 nan 0.000 0.407 256 G N 1.838 110.666 108.800 0.048 0.000 3.572 256 G HA2 -0.474 3.487 3.960 0.000 0.000 0.316 256 G HA3 -0.474 3.487 3.960 0.000 0.000 0.316 256 G C 1.226 176.148 174.900 0.038 0.000 1.312 256 G CA 1.579 46.703 45.100 0.039 0.000 1.364 256 G HN 0.666 nan 8.290 nan 0.000 1.234 257 E N 1.004 121.224 120.200 0.033 0.000 1.998 257 E HA -0.066 4.284 4.350 0.000 0.000 0.196 257 E C 3.067 179.689 176.600 0.036 0.000 1.003 257 E CA 1.647 58.064 56.400 0.028 0.000 0.829 257 E CB -0.626 29.088 29.700 0.023 0.000 0.777 257 E HN 0.523 nan 8.360 nan 0.000 0.460 258 A N 1.117 123.962 122.820 0.042 0.000 2.019 258 A HA -0.154 4.166 4.320 0.000 0.000 0.219 258 A C 2.186 179.816 177.584 0.077 0.000 1.164 258 A CA 1.250 53.317 52.037 0.051 0.000 0.644 258 A CB -0.576 18.453 19.000 0.047 0.000 0.805 258 A HN 0.350 nan 8.150 nan 0.000 0.449 259 L N 0.033 121.309 121.223 0.088 0.000 1.970 259 L HA -0.101 4.239 4.340 0.000 0.000 0.212 259 L C 2.670 179.602 176.870 0.103 0.000 1.071 259 L CA 2.468 57.385 54.840 0.130 0.000 0.751 259 L CB -1.004 41.129 42.059 0.124 0.000 0.889 259 L HN 0.321 nan 8.230 nan 0.000 0.432 260 A N -1.778 121.076 122.820 0.056 0.000 2.032 260 A HA -0.224 4.096 4.320 0.000 0.000 0.221 260 A C 2.177 179.766 177.584 0.008 0.000 1.165 260 A CA 2.340 54.387 52.037 0.017 0.000 0.645 260 A CB -1.194 17.809 19.000 0.006 0.000 0.807 260 A HN 0.620 nan 8.150 nan 0.000 0.453 261 T N 0.300 114.874 114.554 0.033 0.000 2.809 261 T HA -0.006 4.344 4.350 0.000 0.000 0.260 261 T C 1.836 176.567 174.700 0.052 0.000 1.039 261 T CA 1.246 63.364 62.100 0.029 0.000 1.141 261 T CB -0.381 68.506 68.868 0.032 0.000 0.869 261 T HN 0.384 nan 8.240 nan 0.000 0.437 262 L N 0.982 122.268 121.223 0.105 0.000 2.012 262 L HA -0.125 4.215 4.340 0.000 0.000 0.210 262 L C 2.731 179.707 176.870 0.177 0.000 1.073 262 L CA 1.042 55.989 54.840 0.179 0.000 0.748 262 L CB -1.035 41.192 42.059 0.281 0.000 0.891 262 L HN 0.120 nan 8.230 nan 0.000 0.431 263 V N -0.278 119.681 119.914 0.076 0.000 2.282 263 V HA -0.288 3.832 4.120 0.000 0.000 0.249 263 V C 2.380 178.400 176.094 -0.123 0.000 1.057 263 V CA 1.936 64.153 62.300 -0.138 0.000 1.032 263 V CB -0.342 31.360 31.823 -0.203 0.000 0.645 263 V HN 0.250 nan 8.190 nan 0.000 0.447 264 V N -0.296 119.567 119.914 -0.085 0.000 2.719 264 V HA -0.154 3.966 4.120 0.000 0.000 0.252 264 V C 1.872 177.941 176.094 -0.040 0.000 1.065 264 V CA 1.902 64.148 62.300 -0.089 0.000 1.086 264 V CB -0.846 30.930 31.823 -0.079 0.000 0.700 264 V HN 0.604 nan 8.190 nan 0.000 0.467 265 N N 0.041 118.742 118.700 0.002 0.000 2.424 265 N HA -0.089 4.651 4.740 0.000 0.000 0.178 265 N C 1.868 177.401 175.510 0.037 0.000 1.060 265 N CA 1.197 54.259 53.050 0.020 0.000 0.901 265 N CB 0.223 38.729 38.487 0.032 0.000 0.979 265 N HN 0.650 nan 8.380 nan 0.000 0.451 266 T N -1.767 112.825 114.554 0.062 0.000 3.051 266 T HA 0.064 4.414 4.350 0.000 0.000 0.255 266 T C 1.793 176.513 174.700 0.033 0.000 1.085 266 T CA 0.074 62.221 62.100 0.078 0.000 1.109 266 T CB 0.033 69.005 68.868 0.174 0.000 0.921 266 T HN -0.069 nan 8.240 nan 0.000 0.488 267 M N 1.343 120.936 119.600 -0.012 0.000 2.108 267 M HA 0.138 4.618 4.480 0.000 0.000 0.261 267 M C 2.216 178.493 176.300 -0.038 0.000 1.066 267 M CA 1.537 56.805 55.300 -0.054 0.000 1.107 267 M CB -0.245 32.283 32.600 -0.120 0.000 1.356 267 M HN 0.087 nan 8.290 nan 0.000 0.406 268 R N -0.752 119.732 120.500 -0.026 0.000 2.313 268 R HA 0.203 4.543 4.340 0.000 0.000 0.199 268 R C 1.006 177.304 176.300 -0.004 0.000 0.958 268 R CA 0.611 56.700 56.100 -0.018 0.000 1.047 268 R CB -0.191 30.099 30.300 -0.017 0.000 0.955 268 R HN 0.635 nan 8.270 nan 0.000 0.481 269 G N 0.977 109.780 108.800 0.005 0.000 2.153 269 G HA2 -0.297 3.664 3.960 0.000 0.000 0.252 269 G HA3 -0.297 3.664 3.960 0.000 0.000 0.252 269 G C 0.748 175.658 174.900 0.018 0.000 0.994 269 G CA 0.350 45.459 45.100 0.014 0.000 0.698 269 G HN 0.340 nan 8.290 nan 0.000 0.521 270 I N -0.847 119.734 120.570 0.018 0.000 2.179 270 I HA -0.011 4.159 4.170 0.000 0.000 0.242 270 I C 0.979 177.113 176.117 0.028 0.000 1.088 270 I CA 1.642 62.953 61.300 0.019 0.000 1.357 270 I CB -0.095 37.914 38.000 0.015 0.000 1.051 270 I HN 0.133 nan 8.210 nan 0.000 0.409 271 V N -0.180 119.757 119.914 0.038 0.000 2.932 271 V HA 0.264 4.384 4.120 0.000 0.000 0.307 271 V C -0.774 175.355 176.094 0.058 0.000 1.147 271 V CA -1.161 61.166 62.300 0.046 0.000 0.951 271 V CB 1.906 33.756 31.823 0.045 0.000 1.031 271 V HN -0.024 nan 8.190 nan 0.000 0.426 272 K N 2.395 122.829 120.400 0.056 0.000 2.250 272 K HA 0.605 4.926 4.320 0.000 0.000 0.285 272 K C -0.701 175.932 176.600 0.055 0.000 1.097 272 K CA 0.106 56.430 56.287 0.063 0.000 0.913 272 K CB 0.873 33.403 32.500 0.049 0.000 1.179 272 K HN 0.533 nan 8.250 nan 0.000 0.462 273 V N 1.496 121.451 119.914 0.069 0.000 2.815 273 V HA 0.876 4.997 4.120 0.000 0.000 0.314 273 V C -0.438 175.543 176.094 -0.189 0.000 1.064 273 V CA -1.061 61.232 62.300 -0.011 0.000 0.952 273 V CB 1.892 33.729 31.823 0.024 0.000 1.020 273 V HN 0.735 nan 8.190 nan 0.000 0.439 274 A N 2.077 124.639 122.820 -0.430 0.000 2.572 274 A HA 0.999 5.320 4.320 0.000 0.000 0.295 274 A C -0.847 176.333 177.584 -0.674 0.000 1.072 274 A CA -0.224 51.217 52.037 -0.993 0.000 0.691 274 A CB 1.972 20.675 19.000 -0.495 0.000 1.291 274 A HN 1.686 nan 8.150 nan 0.000 0.404 275 A N 0.489 122.853 122.820 -0.760 0.000 2.398 275 A HA 0.818 5.138 4.320 0.000 0.000 0.301 275 A C -0.513 177.045 177.584 -0.043 0.000 1.041 275 A CA -0.036 51.855 52.037 -0.242 0.000 0.711 275 A CB 1.258 20.191 19.000 -0.112 0.000 1.240 275 A HN 2.344 nan 8.150 nan 0.000 0.420 276 V N -0.498 119.435 119.914 0.032 0.000 2.962 276 V HA 0.640 4.760 4.120 0.000 0.000 0.313 276 V C -0.458 175.705 176.094 0.115 0.000 1.099 276 V CA -1.264 61.096 62.300 0.101 0.000 0.971 276 V CB 1.680 33.582 31.823 0.132 0.000 1.028 276 V HN 0.837 nan 8.190 nan 0.000 0.430 277 K N 2.184 122.656 120.400 0.120 0.000 2.382 277 K HA 0.573 4.893 4.320 0.000 0.000 0.275 277 K C 0.474 177.131 176.600 0.095 0.000 1.009 277 K CA 0.372 56.717 56.287 0.096 0.000 0.970 277 K CB 1.175 33.727 32.500 0.087 0.000 0.934 277 K HN 1.109 nan 8.250 nan 0.000 0.479 278 A N 4.465 127.297 122.820 0.020 0.000 2.425 278 A HA 0.230 4.550 4.320 0.000 0.000 0.242 278 A C -2.086 175.450 177.584 -0.079 0.000 1.077 278 A CA -1.062 50.924 52.037 -0.084 0.000 0.781 278 A CB -0.356 18.596 19.000 -0.081 0.000 1.020 278 A HN 0.425 nan 8.150 nan 0.000 0.494 279 P HA 0.473 nan 4.420 nan 0.000 0.277 279 P C 0.641 177.918 177.300 -0.038 0.000 1.240 279 P CA 1.284 64.328 63.100 -0.094 0.000 0.798 279 P CB 0.745 32.317 31.700 -0.215 0.000 0.979 280 G N 1.203 110.031 108.800 0.046 0.000 2.750 280 G HA2 -0.035 3.925 3.960 0.000 0.000 0.228 280 G HA3 -0.035 3.925 3.960 0.000 0.000 0.228 280 G C -0.840 174.163 174.900 0.171 0.000 1.367 280 G CA -0.017 45.134 45.100 0.085 0.000 0.871 280 G HN 0.721 nan 8.290 nan 0.000 0.560 281 F N -2.006 117.949 119.950 0.009 0.000 2.650 281 F HA 0.815 5.342 4.527 0.000 0.000 0.320 281 F C 1.192 176.999 175.800 0.011 0.000 1.091 281 F CA 0.263 58.268 58.000 0.009 0.000 0.962 281 F CB 0.997 40.007 39.000 0.016 0.000 1.363 281 F HN 2.404 nan 8.300 nan 0.000 0.482 282 G N 1.447 110.298 108.800 0.085 0.000 2.660 282 G HA2 -0.358 3.602 3.960 0.000 0.000 0.321 282 G HA3 -0.358 3.602 3.960 0.000 0.000 0.321 282 G C 0.431 175.267 174.900 -0.107 0.000 1.246 282 G CA 0.953 46.038 45.100 -0.025 0.000 1.000 282 G HN 0.827 nan 8.290 nan 0.000 0.550 283 D N 1.035 121.341 120.400 -0.155 0.000 2.091 283 D HA -0.036 4.604 4.640 0.000 0.000 0.199 283 D C 2.499 178.719 176.300 -0.133 0.000 0.980 283 D CA 1.562 55.494 54.000 -0.113 0.000 0.831 283 D CB -0.452 40.297 40.800 -0.084 0.000 0.987 283 D HN 0.725 nan 8.370 nan 0.000 0.460 284 R N 1.241 121.626 120.500 -0.191 0.000 2.226 284 R HA -0.130 4.210 4.340 0.000 0.000 0.246 284 R C 2.080 178.293 176.300 -0.144 0.000 1.161 284 R CA 1.250 57.248 56.100 -0.170 0.000 0.997 284 R CB -0.312 29.878 30.300 -0.184 0.000 0.870 284 R HN 0.096 nan 8.270 nan 0.000 0.465 285 R N 1.283 121.700 120.500 -0.139 0.000 2.055 285 R HA -0.052 4.288 4.340 0.000 0.000 0.226 285 R C 1.656 177.905 176.300 -0.085 0.000 1.135 285 R CA 1.569 57.612 56.100 -0.095 0.000 0.959 285 R CB -0.082 30.188 30.300 -0.050 0.000 0.854 285 R HN 0.258 nan 8.270 nan 0.000 0.431 286 K N 0.298 120.657 120.400 -0.069 0.000 2.044 286 K HA -0.156 4.164 4.320 0.000 0.000 0.210 286 K C 2.128 178.690 176.600 -0.063 0.000 1.049 286 K CA 1.897 58.150 56.287 -0.056 0.000 0.927 286 K CB -0.249 32.224 32.500 -0.044 0.000 0.713 286 K HN 0.254 nan 8.250 nan 0.000 0.443 287 A N 1.095 123.873 122.820 -0.070 0.000 1.877 287 A HA -0.185 4.135 4.320 0.000 0.000 0.216 287 A C 2.143 179.680 177.584 -0.078 0.000 1.186 287 A CA 1.711 53.708 52.037 -0.068 0.000 0.620 287 A CB -0.487 18.471 19.000 -0.070 0.000 0.822 287 A HN 0.211 nan 8.150 nan 0.000 0.443 288 M N -0.887 118.654 119.600 -0.099 0.000 2.229 288 M HA -0.065 4.415 4.480 0.000 0.000 0.264 288 M C 2.148 178.365 176.300 -0.139 0.000 1.063 288 M CA 1.079 56.305 55.300 -0.122 0.000 1.114 288 M CB -0.462 32.046 32.600 -0.154 0.000 1.387 288 M HN 0.392 nan 8.290 nan 0.000 0.420 289 L N 0.042 121.189 121.223 -0.128 0.000 2.042 289 L HA -0.269 4.072 4.340 0.000 0.000 0.210 289 L C 2.695 179.519 176.870 -0.076 0.000 1.076 289 L CA 1.376 56.148 54.840 -0.113 0.000 0.749 289 L CB -0.423 41.586 42.059 -0.084 0.000 0.893 289 L HN 0.307 nan 8.230 nan 0.000 0.432 290 Q N 0.001 119.764 119.800 -0.061 0.000 2.167 290 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 290 Q C 1.642 177.619 176.000 -0.039 0.000 0.970 290 Q CA 1.673 57.450 55.803 -0.042 0.000 0.855 290 Q CB -0.158 28.558 28.738 -0.037 0.000 0.911 290 Q HN 0.408 nan 8.270 nan 0.000 0.438 291 D N -0.247 120.123 120.400 -0.051 0.000 2.092 291 D HA -0.156 4.484 4.640 0.000 0.000 0.193 291 D C 1.851 178.134 176.300 -0.028 0.000 0.994 291 D CA 1.541 55.517 54.000 -0.040 0.000 0.828 291 D CB -0.256 40.514 40.800 -0.050 0.000 0.963 291 D HN 0.365 nan 8.370 nan 0.000 0.450 292 I N 1.087 121.631 120.570 -0.043 0.000 2.286 292 I HA -0.259 3.911 4.170 0.000 0.000 0.248 292 I C 2.478 178.595 176.117 -0.001 0.000 1.115 292 I CA 0.980 62.270 61.300 -0.016 0.000 1.392 292 I CB -0.303 37.669 38.000 -0.046 0.000 1.065 292 I HN -0.077 nan 8.210 nan 0.000 0.418 293 A N 0.810 123.623 122.820 -0.013 0.000 1.873 293 A HA -0.257 4.063 4.320 0.000 0.000 0.218 293 A C 2.425 180.012 177.584 0.005 0.000 1.193 293 A CA 2.792 54.828 52.037 -0.001 0.000 0.629 293 A CB -1.306 17.689 19.000 -0.009 0.000 0.826 293 A HN 0.397 nan 8.150 nan 0.000 0.447 294 T N 0.359 114.911 114.554 -0.002 0.000 2.684 294 T HA -0.155 4.195 4.350 0.000 0.000 0.267 294 T C 1.831 176.535 174.700 0.006 0.000 1.036 294 T CA 1.341 63.441 62.100 0.001 0.000 1.148 294 T CB -0.431 68.434 68.868 -0.005 0.000 0.863 294 T HN 0.336 nan 8.240 nan 0.000 0.436 295 L N 1.187 122.415 121.223 0.008 0.000 2.043 295 L HA -0.148 4.192 4.340 0.000 0.000 0.212 295 L C 2.485 179.365 176.870 0.018 0.000 1.075 295 L CA 2.130 56.978 54.840 0.015 0.000 0.752 295 L CB -0.684 41.389 42.059 0.024 0.000 0.891 295 L HN 0.496 nan 8.230 nan 0.000 0.432 296 T N -4.469 110.099 114.554 0.023 0.000 3.092 296 T HA 0.258 4.608 4.350 0.000 0.000 0.258 296 T C 1.120 175.840 174.700 0.033 0.000 1.031 296 T CA 0.319 62.437 62.100 0.028 0.000 0.925 296 T CB 0.380 69.271 68.868 0.040 0.000 1.036 296 T HN 0.498 nan 8.240 nan 0.000 0.544 297 G N 0.547 109.363 108.800 0.026 0.000 2.273 297 G HA2 0.018 3.978 3.960 0.000 0.000 0.280 297 G HA3 0.018 3.978 3.960 0.000 0.000 0.280 297 G C 0.326 175.249 174.900 0.039 0.000 1.047 297 G CA -0.179 44.939 45.100 0.029 0.000 0.869 297 G HN 1.049 nan 8.290 nan 0.000 0.502 298 G N -1.532 107.288 108.800 0.034 0.000 2.509 298 G HA2 0.797 4.758 3.960 0.000 0.000 0.328 298 G HA3 0.797 4.758 3.960 0.000 0.000 0.328 298 G C -0.358 174.553 174.900 0.018 0.000 1.194 298 G CA 0.143 45.264 45.100 0.035 0.000 0.967 298 G HN 0.652 nan 8.290 nan 0.000 0.488 299 T N 0.074 114.635 114.554 0.012 0.000 2.824 299 T HA 0.442 4.792 4.350 0.000 0.000 0.282 299 T C -0.057 174.641 174.700 -0.003 0.000 0.993 299 T CA -0.359 61.743 62.100 0.002 0.000 0.967 299 T CB 1.788 70.656 68.868 0.000 0.000 0.960 299 T HN 0.361 nan 8.240 nan 0.000 0.441 300 V N 4.206 124.116 119.914 -0.008 0.000 2.508 300 V HA 0.272 4.393 4.120 0.000 0.000 0.281 300 V C 0.344 176.432 176.094 -0.010 0.000 1.041 300 V CA -0.450 61.843 62.300 -0.012 0.000 1.016 300 V CB 0.255 32.067 31.823 -0.018 0.000 0.984 300 V HN 0.775 nan 8.190 nan 0.000 0.478 301 I N 5.310 125.874 120.570 -0.010 0.000 2.282 301 I HA 0.270 4.441 4.170 0.000 0.000 0.290 301 I C 0.348 176.461 176.117 -0.008 0.000 1.090 301 I CA 0.195 61.490 61.300 -0.009 0.000 1.231 301 I CB 0.549 38.543 38.000 -0.009 0.000 1.434 301 I HN 0.705 nan 8.210 nan 0.000 0.487 302 S N 2.835 118.531 115.700 -0.008 0.000 2.454 302 S HA 0.376 4.847 4.470 0.000 0.000 0.306 302 S C 0.428 175.025 174.600 -0.005 0.000 1.100 302 S CA -0.904 57.292 58.200 -0.007 0.000 1.087 302 S CB 1.757 64.951 63.200 -0.009 0.000 1.019 302 S HN 0.602 nan 8.310 nan 0.000 0.480 303 E N 1.598 121.797 120.200 -0.002 0.000 2.482 303 E HA -0.096 4.255 4.350 0.000 0.000 0.196 303 E C 0.951 177.550 176.600 -0.001 0.000 1.047 303 E CA 0.653 57.052 56.400 -0.001 0.000 0.869 303 E CB -0.185 29.516 29.700 0.001 0.000 0.836 303 E HN 0.846 nan 8.360 nan 0.000 0.520 304 E N 1.008 121.207 120.200 -0.002 0.000 2.204 304 E HA -0.100 4.250 4.350 0.000 0.000 0.194 304 E C 1.560 178.158 176.600 -0.003 0.000 0.989 304 E CA 0.733 57.132 56.400 -0.002 0.000 0.824 304 E CB -0.108 29.590 29.700 -0.002 0.000 0.756 304 E HN 0.342 nan 8.360 nan 0.000 0.477 305 I N 0.492 121.060 120.570 -0.004 0.000 3.684 305 I HA 0.101 4.271 4.170 0.000 0.000 0.304 305 I C 1.136 177.251 176.117 -0.004 0.000 1.278 305 I CA 0.294 61.592 61.300 -0.005 0.000 1.272 305 I CB -0.165 37.832 38.000 -0.006 0.000 1.029 305 I HN 0.233 nan 8.210 nan 0.000 0.458 306 G N 1.602 110.400 108.800 -0.003 0.000 2.147 306 G HA2 -0.285 3.676 3.960 0.000 0.000 0.244 306 G HA3 -0.285 3.676 3.960 0.000 0.000 0.244 306 G C 0.210 175.108 174.900 -0.004 0.000 1.005 306 G CA -0.152 44.947 45.100 -0.003 0.000 0.713 306 G HN 0.345 nan 8.290 nan 0.000 0.515 307 M N 0.392 119.989 119.600 -0.005 0.000 2.216 307 M HA 0.548 5.028 4.480 0.000 0.000 0.356 307 M C 0.328 176.624 176.300 -0.006 0.000 1.205 307 M CA -0.032 55.264 55.300 -0.006 0.000 1.122 307 M CB 0.943 33.538 32.600 -0.007 0.000 1.571 307 M HN 0.256 nan 8.290 nan 0.000 0.464 308 E N 1.780 121.976 120.200 -0.007 0.000 2.235 308 E HA 0.340 4.690 4.350 0.000 0.000 0.265 308 E C 0.213 176.808 176.600 -0.009 0.000 0.940 308 E CA -0.713 55.683 56.400 -0.006 0.000 0.819 308 E CB 2.020 31.716 29.700 -0.006 0.000 1.206 308 E HN 0.661 nan 8.360 nan 0.000 0.409 309 L N 1.226 122.444 121.223 -0.008 0.000 2.291 309 L HA -0.144 4.196 4.340 0.000 0.000 0.214 309 L C 1.553 178.414 176.870 -0.015 0.000 1.120 309 L CA 1.085 55.919 54.840 -0.011 0.000 0.799 309 L CB -0.125 41.929 42.059 -0.007 0.000 0.925 309 L HN 0.592 nan 8.230 nan 0.000 0.446 310 E N 0.194 120.387 120.200 -0.012 0.000 2.072 310 E HA -0.125 4.225 4.350 0.000 0.000 0.190 310 E C 1.034 177.623 176.600 -0.017 0.000 0.982 310 E CA 0.884 57.276 56.400 -0.014 0.000 0.803 310 E CB 0.074 29.768 29.700 -0.010 0.000 0.755 310 E HN 0.205 nan 8.360 nan 0.000 0.453 311 K N 0.647 121.038 120.400 -0.016 0.000 3.226 311 K HA 0.361 4.681 4.320 0.000 0.000 0.268 311 K C -0.796 175.791 176.600 -0.022 0.000 1.217 311 K CA -0.189 56.087 56.287 -0.017 0.000 1.242 311 K CB 0.563 33.055 32.500 -0.013 0.000 1.389 311 K HN -0.015 nan 8.250 nan 0.000 0.406 312 A N 1.139 123.942 122.820 -0.029 0.000 2.335 312 A HA 0.387 4.708 4.320 0.000 0.000 0.304 312 A C 0.190 177.741 177.584 -0.054 0.000 1.118 312 A CA -0.664 51.350 52.037 -0.037 0.000 0.757 312 A CB 0.819 19.798 19.000 -0.035 0.000 1.188 312 A HN 0.285 nan 8.150 nan 0.000 0.460 313 T N -0.076 114.442 114.554 -0.060 0.000 2.893 313 T HA 0.530 4.880 4.350 0.000 0.000 0.279 313 T C 1.247 175.871 174.700 -0.128 0.000 0.991 313 T CA -0.631 61.420 62.100 -0.082 0.000 0.950 313 T CB 0.258 69.091 68.868 -0.059 0.000 1.223 313 T HN 0.331 nan 8.240 nan 0.000 0.585 314 L N -0.109 121.008 121.223 -0.176 0.000 2.083 314 L HA -0.044 4.296 4.340 0.000 0.000 0.209 314 L C 2.998 179.777 176.870 -0.153 0.000 1.083 314 L CA 1.672 56.330 54.840 -0.303 0.000 0.752 314 L CB -0.662 41.200 42.059 -0.329 0.000 0.899 314 L HN 0.862 nan 8.230 nan 0.000 0.433 315 E N 0.277 120.438 120.200 -0.064 0.000 2.171 315 E HA -0.264 4.086 4.350 0.000 0.000 0.197 315 E C 1.509 178.110 176.600 0.001 0.000 0.997 315 E CA 1.442 57.838 56.400 -0.007 0.000 0.810 315 E CB 0.124 29.819 29.700 -0.007 0.000 0.738 315 E HN 0.432 nan 8.360 nan 0.000 0.467 316 D N -0.343 120.042 120.400 -0.025 0.000 2.312 316 D HA -0.058 4.582 4.640 0.000 0.000 0.211 316 D C -0.160 176.144 176.300 0.007 0.000 0.964 316 D CA 0.381 54.374 54.000 -0.012 0.000 0.877 316 D CB 0.161 40.945 40.800 -0.026 0.000 0.924 316 D HN 0.116 nan 8.370 nan 0.000 0.515 317 L N 0.831 122.060 121.223 0.009 0.000 2.305 317 L HA 0.340 4.681 4.340 0.000 0.000 0.281 317 L C 1.277 178.248 176.870 0.169 0.000 1.085 317 L CA -0.414 54.470 54.840 0.073 0.000 0.813 317 L CB 1.087 43.163 42.059 0.029 0.000 1.157 317 L HN -0.192 nan 8.230 nan 0.000 0.436 318 G N 2.157 111.039 108.800 0.137 0.000 2.599 318 G HA2 0.457 4.417 3.960 0.000 0.000 0.264 318 G HA3 0.457 4.417 3.960 0.000 0.000 0.264 318 G C -0.772 174.215 174.900 0.146 0.000 1.200 318 G CA -0.198 44.974 45.100 0.119 0.000 0.896 318 G HN 0.575 nan 8.290 nan 0.000 0.536 319 Q N -1.550 118.286 119.800 0.060 0.000 2.456 319 Q HA 0.625 4.966 4.340 0.000 0.000 0.284 319 Q C -1.131 174.848 176.000 -0.034 0.000 1.061 319 Q CA -0.813 54.973 55.803 -0.028 0.000 0.799 319 Q CB 2.354 31.012 28.738 -0.135 0.000 1.445 319 Q HN 0.976 nan 8.270 nan 0.000 0.411 320 A N 1.438 124.221 122.820 -0.061 0.000 2.594 320 A HA 0.394 4.715 4.320 0.000 0.000 0.295 320 A C -0.601 176.948 177.584 -0.059 0.000 1.071 320 A CA -0.620 51.392 52.037 -0.041 0.000 0.685 320 A CB 1.521 20.513 19.000 -0.013 0.000 1.285 320 A HN 0.791 nan 8.150 nan 0.000 0.405 321 K N -0.304 120.069 120.400 -0.045 0.000 2.211 321 K HA 0.004 4.324 4.320 0.000 0.000 0.203 321 K C 0.540 177.116 176.600 -0.038 0.000 1.050 321 K CA 1.124 57.383 56.287 -0.046 0.000 0.945 321 K CB 0.136 32.615 32.500 -0.034 0.000 0.732 321 K HN 0.523 nan 8.250 nan 0.000 0.451 322 R N -0.022 120.460 120.500 -0.029 0.000 2.604 322 R HA 0.174 4.514 4.340 0.000 0.000 0.261 322 R C -1.823 174.466 176.300 -0.018 0.000 1.080 322 R CA -0.482 55.604 56.100 -0.022 0.000 0.917 322 R CB 2.048 32.338 30.300 -0.017 0.000 1.252 322 R HN -0.030 nan 8.270 nan 0.000 0.456 323 V N 0.387 120.291 119.914 -0.016 0.000 2.823 323 V HA 0.872 4.992 4.120 0.000 0.000 0.312 323 V C -1.312 174.770 176.094 -0.020 0.000 1.072 323 V CA -0.622 61.666 62.300 -0.020 0.000 0.937 323 V CB 2.279 34.093 31.823 -0.015 0.000 1.013 323 V HN 0.413 nan 8.190 nan 0.000 0.430 324 V N 5.810 125.704 119.914 -0.033 0.000 2.525 324 V HA 0.581 4.701 4.120 0.000 0.000 0.299 324 V C -0.284 175.790 176.094 -0.035 0.000 1.034 324 V CA -0.373 61.916 62.300 -0.018 0.000 0.863 324 V CB 1.520 33.335 31.823 -0.013 0.000 0.999 324 V HN 0.957 nan 8.190 nan 0.000 0.423 325 I N 1.331 121.908 120.570 0.011 0.000 2.530 325 I HA 0.703 4.873 4.170 0.000 0.000 0.297 325 I C -0.564 175.611 176.117 0.097 0.000 1.011 325 I CA -0.554 60.758 61.300 0.019 0.000 1.107 325 I CB 2.099 40.127 38.000 0.047 0.000 1.285 325 I HN 0.396 nan 8.210 nan 0.000 0.436 326 N N 3.316 122.006 118.700 -0.017 0.000 2.604 326 N HA 0.307 5.047 4.740 0.000 0.000 0.297 326 N C 0.781 176.022 175.510 -0.449 0.000 1.266 326 N CA -0.669 52.342 53.050 -0.065 0.000 0.961 326 N CB 1.510 39.924 38.487 -0.121 0.000 1.166 326 N HN 0.623 nan 8.380 nan 0.000 0.601 327 K N -0.184 119.954 120.400 -0.437 0.000 2.103 327 K HA -0.163 4.157 4.320 0.000 0.000 0.207 327 K C -0.581 175.713 176.600 -0.511 0.000 1.048 327 K CA 1.897 57.768 56.287 -0.693 0.000 0.930 327 K CB 0.021 32.376 32.500 -0.241 0.000 0.716 327 K HN 0.613 nan 8.250 nan 0.000 0.444 328 D N -1.388 118.834 120.400 -0.297 0.000 2.785 328 D HA 0.128 4.768 4.640 0.000 0.000 0.324 328 D C -0.752 175.456 176.300 -0.152 0.000 1.523 328 D CA -0.424 53.458 54.000 -0.196 0.000 0.789 328 D CB 0.833 41.557 40.800 -0.127 0.000 1.171 328 D HN -0.172 nan 8.370 nan 0.000 0.447 329 T N -0.564 113.879 114.554 -0.185 0.000 2.932 329 T HA 0.621 4.971 4.350 0.000 0.000 0.318 329 T C -1.453 173.086 174.700 -0.268 0.000 1.265 329 T CA -0.341 61.641 62.100 -0.198 0.000 1.036 329 T CB 2.041 70.816 68.868 -0.155 0.000 1.209 329 T HN -0.070 nan 8.240 nan 0.000 0.484 330 T N 2.063 116.341 114.554 -0.460 0.000 2.879 330 T HA 0.646 4.996 4.350 0.000 0.000 0.290 330 T C -0.783 173.584 174.700 -0.555 0.000 0.993 330 T CA -0.597 61.162 62.100 -0.569 0.000 0.975 330 T CB 1.531 69.810 68.868 -0.981 0.000 0.981 330 T HN 0.674 nan 8.240 nan 0.000 0.439 331 T N 3.037 117.420 114.554 -0.286 0.000 2.881 331 T HA 0.659 5.010 4.350 0.000 0.000 0.291 331 T C -0.698 173.947 174.700 -0.091 0.000 0.990 331 T CA -0.704 61.291 62.100 -0.174 0.000 0.976 331 T CB 0.190 68.991 68.868 -0.112 0.000 0.970 331 T HN 0.491 nan 8.240 nan 0.000 0.438 332 I N 5.832 126.378 120.570 -0.040 0.000 2.297 332 I HA 0.414 4.584 4.170 0.000 0.000 0.291 332 I C -0.299 175.821 176.117 0.005 0.000 1.033 332 I CA -0.796 60.507 61.300 0.005 0.000 1.253 332 I CB 1.062 39.099 38.000 0.061 0.000 1.396 332 I HN 0.585 nan 8.210 nan 0.000 0.476 333 I N 5.905 126.473 120.570 -0.004 0.000 2.339 333 I HA 0.283 4.453 4.170 0.000 0.000 0.290 333 I C -0.445 175.668 176.117 -0.006 0.000 0.994 333 I CA -0.440 60.858 61.300 -0.005 0.000 1.191 333 I CB 1.124 39.118 38.000 -0.009 0.000 1.343 333 I HN 0.515 nan 8.210 nan 0.000 0.458 334 D N 4.896 125.294 120.400 -0.004 0.000 3.729 334 D HA -0.111 4.529 4.640 0.000 0.000 0.242 334 D C -0.044 176.252 176.300 -0.008 0.000 1.091 334 D CA 0.819 54.815 54.000 -0.007 0.000 1.096 334 D CB -0.140 40.652 40.800 -0.013 0.000 0.901 334 D HN 0.839 nan 8.370 nan 0.000 0.416 335 G N 0.934 109.734 108.800 -0.000 0.000 2.356 335 G HA2 0.445 4.405 3.960 0.000 0.000 0.298 335 G HA3 0.445 4.405 3.960 0.000 0.000 0.298 335 G C 1.412 176.311 174.900 -0.002 0.000 1.145 335 G CA -0.475 44.626 45.100 0.002 0.000 0.850 335 G HN 0.290 nan 8.290 nan 0.000 0.487 336 V N 2.723 122.634 119.914 -0.005 0.000 2.594 336 V HA -0.051 4.069 4.120 0.000 0.000 0.253 336 V C 2.245 178.342 176.094 0.004 0.000 1.069 336 V CA 1.217 63.514 62.300 -0.005 0.000 1.082 336 V CB -1.278 30.541 31.823 -0.008 0.000 0.680 336 V HN 0.816 nan 8.190 nan 0.000 0.469 337 G N 0.794 109.599 108.800 0.009 0.000 2.287 337 G HA2 -0.003 3.958 3.960 0.000 0.000 0.235 337 G HA3 -0.003 3.958 3.960 0.000 0.000 0.235 337 G C -0.041 174.862 174.900 0.006 0.000 1.258 337 G CA -0.155 44.950 45.100 0.010 0.000 0.884 337 G HN 0.535 nan 8.290 nan 0.000 0.518 338 E N 1.317 121.520 120.200 0.006 0.000 2.398 338 E HA 0.020 4.370 4.350 0.000 0.000 0.263 338 E C 1.013 177.615 176.600 0.002 0.000 1.046 338 E CA -0.276 56.127 56.400 0.004 0.000 0.908 338 E CB 1.032 30.734 29.700 0.004 0.000 0.963 338 E HN 0.618 nan 8.360 nan 0.000 0.431 339 E N 1.682 121.883 120.200 0.001 0.000 2.077 339 E HA -0.228 4.122 4.350 0.000 0.000 0.193 339 E C 1.885 178.485 176.600 -0.000 0.000 0.989 339 E CA 1.163 57.563 56.400 0.000 0.000 0.800 339 E CB -0.128 29.572 29.700 -0.000 0.000 0.746 339 E HN 0.591 nan 8.360 nan 0.000 0.452 340 A N 1.932 124.752 122.820 -0.000 0.000 1.883 340 A HA -0.124 4.196 4.320 0.000 0.000 0.217 340 A C 2.488 180.071 177.584 -0.001 0.000 1.186 340 A CA 2.037 54.073 52.037 -0.001 0.000 0.624 340 A CB -0.656 18.343 19.000 -0.000 0.000 0.822 340 A HN 0.286 nan 8.150 nan 0.000 0.444 341 A N -0.308 122.512 122.820 -0.000 0.000 1.902 341 A HA -0.087 4.233 4.320 0.000 0.000 0.217 341 A C 2.135 179.718 177.584 -0.002 0.000 1.181 341 A CA 1.614 53.650 52.037 -0.001 0.000 0.623 341 A CB -0.603 18.398 19.000 0.001 0.000 0.818 341 A HN 0.490 nan 8.150 nan 0.000 0.443 342 I N -0.968 119.601 120.570 -0.001 0.000 2.202 342 I HA -0.242 3.928 4.170 0.000 0.000 0.242 342 I C 2.734 178.849 176.117 -0.003 0.000 1.091 342 I CA 1.194 62.492 61.300 -0.002 0.000 1.368 342 I CB -0.237 37.763 38.000 0.000 0.000 1.058 342 I HN 0.239 nan 8.210 nan 0.000 0.410 343 Q N 0.728 120.527 119.800 -0.003 0.000 2.096 343 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 343 Q C 2.278 178.275 176.000 -0.005 0.000 0.982 343 Q CA 1.939 57.740 55.803 -0.004 0.000 0.850 343 Q CB -0.999 27.737 28.738 -0.003 0.000 0.901 343 Q HN 0.581 nan 8.270 nan 0.000 0.422 344 G N 0.023 108.820 108.800 -0.005 0.000 2.421 344 G HA2 -0.318 3.643 3.960 0.000 0.000 0.216 344 G HA3 -0.318 3.643 3.960 0.000 0.000 0.216 344 G C 1.631 176.526 174.900 -0.008 0.000 1.171 344 G CA 0.989 46.085 45.100 -0.006 0.000 0.775 344 G HN 0.344 nan 8.290 nan 0.000 0.543 345 R N -0.050 120.445 120.500 -0.009 0.000 2.096 345 R HA -0.008 4.332 4.340 0.000 0.000 0.235 345 R C 2.579 178.871 176.300 -0.013 0.000 1.127 345 R CA 1.386 57.479 56.100 -0.012 0.000 0.968 345 R CB -0.623 29.669 30.300 -0.012 0.000 0.861 345 R HN 0.228 nan 8.270 nan 0.000 0.440 346 V N 0.644 120.551 119.914 -0.011 0.000 2.261 346 V HA -0.220 3.900 4.120 0.000 0.000 0.246 346 V C 2.362 178.448 176.094 -0.012 0.000 1.047 346 V CA 1.994 64.286 62.300 -0.012 0.000 1.015 346 V CB -0.929 30.888 31.823 -0.009 0.000 0.642 346 V HN 0.575 nan 8.190 nan 0.000 0.446 347 A N -1.245 121.568 122.820 -0.010 0.000 1.948 347 A HA -0.333 3.987 4.320 0.000 0.000 0.220 347 A C 2.202 179.779 177.584 -0.012 0.000 1.177 347 A CA 2.260 54.291 52.037 -0.010 0.000 0.636 347 A CB -0.576 18.419 19.000 -0.008 0.000 0.815 347 A HN 0.623 nan 8.150 nan 0.000 0.449 348 Q N -0.717 119.076 119.800 -0.012 0.000 2.030 348 Q HA -0.167 4.174 4.340 0.000 0.000 0.204 348 Q C 2.085 178.074 176.000 -0.017 0.000 0.986 348 Q CA 1.869 57.663 55.803 -0.014 0.000 0.843 348 Q CB -0.256 28.474 28.738 -0.015 0.000 0.904 348 Q HN 0.768 nan 8.270 nan 0.000 0.420 349 I N -0.255 120.303 120.570 -0.020 0.000 2.315 349 I HA -0.251 3.920 4.170 0.000 0.000 0.248 349 I C 2.435 178.538 176.117 -0.023 0.000 1.117 349 I CA 0.839 62.124 61.300 -0.025 0.000 1.404 349 I CB -0.199 37.784 38.000 -0.029 0.000 1.071 349 I HN 0.121 nan 8.210 nan 0.000 0.419 350 R N 0.323 120.811 120.500 -0.019 0.000 2.193 350 R HA -0.159 4.181 4.340 0.000 0.000 0.229 350 R C 2.243 178.533 176.300 -0.016 0.000 1.110 350 R CA 1.045 57.134 56.100 -0.017 0.000 0.988 350 R CB 0.052 30.343 30.300 -0.014 0.000 0.871 350 R HN 0.425 nan 8.270 nan 0.000 0.458 351 Q N -0.387 119.404 119.800 -0.015 0.000 2.204 351 Q HA -0.088 4.252 4.340 0.000 0.000 0.198 351 Q C 1.884 177.876 176.000 -0.014 0.000 0.946 351 Q CA 0.848 56.643 55.803 -0.013 0.000 0.859 351 Q CB 0.358 29.089 28.738 -0.011 0.000 0.946 351 Q HN 0.537 nan 8.270 nan 0.000 0.474 352 Q N 0.313 120.102 119.800 -0.017 0.000 2.170 352 Q HA -0.104 4.236 4.340 0.000 0.000 0.203 352 Q C 2.061 178.049 176.000 -0.019 0.000 0.976 352 Q CA 0.881 56.673 55.803 -0.019 0.000 0.858 352 Q CB -0.240 28.484 28.738 -0.024 0.000 0.907 352 Q HN 0.387 nan 8.270 nan 0.000 0.433 353 I N 1.408 121.965 120.570 -0.022 0.000 2.335 353 I HA -0.243 3.928 4.170 0.000 0.000 0.251 353 I C 1.996 178.104 176.117 -0.015 0.000 1.129 353 I CA 0.975 62.263 61.300 -0.021 0.000 1.402 353 I CB -0.201 37.786 38.000 -0.023 0.000 1.069 353 I HN 0.121 nan 8.210 nan 0.000 0.424 354 E N 0.945 121.138 120.200 -0.012 0.000 2.204 354 E HA -0.183 4.167 4.350 0.000 0.000 0.194 354 E C 1.409 178.005 176.600 -0.007 0.000 0.989 354 E CA 1.114 57.509 56.400 -0.009 0.000 0.824 354 E CB -0.125 29.570 29.700 -0.008 0.000 0.756 354 E HN 0.641 nan 8.360 nan 0.000 0.477 355 E N -0.413 119.782 120.200 -0.007 0.000 2.562 355 E HA 0.325 4.675 4.350 0.000 0.000 0.214 355 E C 0.057 176.655 176.600 -0.003 0.000 0.979 355 E CA 0.060 56.457 56.400 -0.005 0.000 1.002 355 E CB 0.839 30.537 29.700 -0.005 0.000 1.048 355 E HN 0.038 nan 8.360 nan 0.000 0.488 356 A N 1.663 124.480 122.820 -0.005 0.000 2.566 356 A HA 0.087 4.407 4.320 0.000 0.000 0.245 356 A C 1.124 178.712 177.584 0.006 0.000 1.056 356 A CA 0.530 52.566 52.037 -0.000 0.000 0.757 356 A CB -0.137 18.859 19.000 -0.007 0.000 0.979 356 A HN 0.258 nan 8.150 nan 0.000 0.508 357 T N -0.437 114.125 114.554 0.013 0.000 3.134 357 T HA 0.396 4.747 4.350 0.000 0.000 0.260 357 T C 0.393 175.107 174.700 0.024 0.000 1.027 357 T CA 0.363 62.472 62.100 0.015 0.000 0.913 357 T CB -0.305 68.571 68.868 0.013 0.000 1.046 357 T HN 1.037 nan 8.240 nan 0.000 0.553 358 S N -0.192 115.528 115.700 0.034 0.000 2.548 358 S HA 0.334 4.805 4.470 0.000 0.000 0.276 358 S C 0.177 174.813 174.600 0.060 0.000 1.129 358 S CA -0.611 57.621 58.200 0.054 0.000 0.931 358 S CB 1.734 64.982 63.200 0.079 0.000 1.068 358 S HN 0.010 nan 8.310 nan 0.000 0.480 359 D N 1.976 122.415 120.400 0.065 0.000 2.133 359 D HA -0.177 4.463 4.640 0.000 0.000 0.192 359 D C 1.306 177.654 176.300 0.081 0.000 1.001 359 D CA 1.984 56.022 54.000 0.062 0.000 0.844 359 D CB -0.239 40.602 40.800 0.069 0.000 0.944 359 D HN 0.778 nan 8.370 nan 0.000 0.447 360 Y N 1.943 122.242 120.300 -0.001 0.000 2.181 360 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 360 Y C 1.937 177.831 175.900 -0.010 0.000 1.146 360 Y CA 1.644 59.743 58.100 -0.002 0.000 1.164 360 Y CB -0.087 38.374 38.460 0.002 0.000 0.982 360 Y HN -0.102 nan 8.280 nan 0.000 0.515 361 D N -0.080 120.347 120.400 0.045 0.000 2.123 361 D HA -0.197 4.444 4.640 0.000 0.000 0.196 361 D C 2.238 178.469 176.300 -0.114 0.000 0.992 361 D CA 1.330 55.302 54.000 -0.047 0.000 0.833 361 D CB -0.329 40.487 40.800 0.026 0.000 0.954 361 D HN 0.375 nan 8.370 nan 0.000 0.455 362 R N 0.753 121.212 120.500 -0.069 0.000 2.097 362 R HA -0.147 4.193 4.340 0.000 0.000 0.236 362 R C 2.310 178.548 176.300 -0.103 0.000 1.135 362 R CA 1.466 57.527 56.100 -0.065 0.000 0.934 362 R CB -0.029 30.252 30.300 -0.032 0.000 0.846 362 R HN 0.303 nan 8.270 nan 0.000 0.431 363 E N 0.280 120.400 120.200 -0.133 0.000 2.085 363 E HA -0.223 4.127 4.350 0.000 0.000 0.194 363 E C 1.963 178.447 176.600 -0.192 0.000 0.994 363 E CA 0.913 57.227 56.400 -0.145 0.000 0.801 363 E CB -0.103 29.515 29.700 -0.136 0.000 0.743 363 E HN 0.111 nan 8.360 nan 0.000 0.453 364 K N 0.984 121.197 120.400 -0.311 0.000 2.097 364 K HA -0.055 4.265 4.320 0.000 0.000 0.206 364 K C 2.263 178.762 176.600 -0.168 0.000 1.049 364 K CA 0.779 56.890 56.287 -0.294 0.000 0.933 364 K CB -0.492 31.752 32.500 -0.427 0.000 0.717 364 K HN 0.171 nan 8.250 nan 0.000 0.442 365 L N 0.377 121.517 121.223 -0.138 0.000 2.023 365 L HA -0.162 4.178 4.340 0.000 0.000 0.205 365 L C 2.516 179.344 176.870 -0.071 0.000 1.073 365 L CA 1.172 55.958 54.840 -0.090 0.000 0.745 365 L CB -0.456 41.559 42.059 -0.072 0.000 0.900 365 L HN 0.167 nan 8.230 nan 0.000 0.435 366 Q N -0.015 119.743 119.800 -0.069 0.000 2.173 366 Q HA -0.281 4.060 4.340 0.000 0.000 0.208 366 Q C 2.127 178.099 176.000 -0.047 0.000 0.989 366 Q CA 1.870 57.643 55.803 -0.051 0.000 0.872 366 Q CB -0.077 28.633 28.738 -0.047 0.000 0.909 366 Q HN 0.496 nan 8.270 nan 0.000 0.420 367 E N -0.279 119.884 120.200 -0.061 0.000 2.106 367 E HA -0.140 4.210 4.350 0.000 0.000 0.192 367 E C 2.011 178.589 176.600 -0.036 0.000 0.984 367 E CA 0.605 56.977 56.400 -0.047 0.000 0.806 367 E CB 0.089 29.754 29.700 -0.058 0.000 0.750 367 E HN 0.233 nan 8.360 nan 0.000 0.458 368 R N 0.343 120.815 120.500 -0.047 0.000 2.090 368 R HA -0.099 4.241 4.340 0.000 0.000 0.228 368 R C 2.605 178.889 176.300 -0.027 0.000 1.110 368 R CA 1.408 57.485 56.100 -0.039 0.000 0.973 368 R CB -0.292 29.977 30.300 -0.052 0.000 0.869 368 R HN 0.190 nan 8.270 nan 0.000 0.440 369 V N -1.721 118.176 119.914 -0.028 0.000 2.358 369 V HA -0.060 4.060 4.120 0.000 0.000 0.246 369 V C 2.365 178.451 176.094 -0.014 0.000 1.047 369 V CA 1.621 63.908 62.300 -0.021 0.000 1.035 369 V CB -1.083 30.728 31.823 -0.021 0.000 0.658 369 V HN 0.202 nan 8.190 nan 0.000 0.452 370 A N 0.616 123.427 122.820 -0.014 0.000 1.940 370 A HA -0.236 4.085 4.320 0.000 0.000 0.219 370 A C 2.337 179.921 177.584 -0.001 0.000 1.176 370 A CA 2.448 54.480 52.037 -0.008 0.000 0.631 370 A CB -0.576 18.418 19.000 -0.010 0.000 0.814 370 A HN 0.635 nan 8.150 nan 0.000 0.446 371 K N -1.202 119.199 120.400 0.002 0.000 1.984 371 K HA -0.031 4.289 4.320 0.000 0.000 0.209 371 K C 1.918 178.527 176.600 0.015 0.000 1.046 371 K CA 1.195 57.492 56.287 0.016 0.000 0.934 371 K CB -0.360 32.157 32.500 0.028 0.000 0.717 371 K HN 0.300 nan 8.250 nan 0.000 0.438 372 L N 0.888 122.116 121.223 0.008 0.000 2.012 372 L HA -0.118 4.223 4.340 0.000 0.000 0.210 372 L C 2.004 178.876 176.870 0.004 0.000 1.073 372 L CA 1.864 56.707 54.840 0.006 0.000 0.748 372 L CB -0.879 41.178 42.059 -0.002 0.000 0.891 372 L HN 0.185 nan 8.230 nan 0.000 0.431 373 A N -1.721 121.099 122.820 -0.000 0.000 2.251 373 A HA 0.273 4.593 4.320 0.000 0.000 0.209 373 A C 2.107 179.691 177.584 0.000 0.000 1.187 373 A CA 0.701 52.737 52.037 -0.001 0.000 0.823 373 A CB -0.776 18.221 19.000 -0.004 0.000 0.846 373 A HN 0.447 nan 8.150 nan 0.000 0.486 374 G N -0.737 108.065 108.800 0.002 0.000 2.539 374 G HA2 0.390 4.350 3.960 0.000 0.000 0.215 374 G HA3 0.390 4.350 3.960 0.000 0.000 0.215 374 G C 1.089 175.991 174.900 0.004 0.000 1.141 374 G CA 0.624 45.725 45.100 0.003 0.000 0.806 374 G HN 1.478 nan 8.290 nan 0.000 0.533 375 G N -1.246 107.558 108.800 0.006 0.000 2.692 375 G HA2 -0.039 3.921 3.960 0.000 0.000 0.248 375 G HA3 -0.039 3.921 3.960 0.000 0.000 0.248 375 G C -0.586 174.317 174.900 0.005 0.000 1.340 375 G CA -0.101 45.002 45.100 0.006 0.000 0.896 375 G HN 1.049 nan 8.290 nan 0.000 0.570 376 V N 0.119 120.035 119.914 0.003 0.000 2.668 376 V HA 0.703 4.823 4.120 0.000 0.000 0.304 376 V C 0.636 176.731 176.094 0.001 0.000 1.071 376 V CA -0.113 62.189 62.300 0.002 0.000 0.894 376 V CB 1.449 33.273 31.823 0.001 0.000 1.008 376 V HN 2.094 nan 8.190 nan 0.000 0.425 377 A N 4.385 127.206 122.820 0.002 0.000 2.366 377 A HA 0.709 5.029 4.320 0.000 0.000 0.272 377 A C -0.391 177.194 177.584 0.003 0.000 1.135 377 A CA -0.277 51.762 52.037 0.003 0.000 0.804 377 A CB 0.697 19.700 19.000 0.004 0.000 1.064 377 A HN 0.783 nan 8.150 nan 0.000 0.499 378 V N 5.144 125.059 119.914 0.001 0.000 2.311 378 V HA 0.224 4.344 4.120 0.000 0.000 0.275 378 V C -0.024 176.070 176.094 0.001 0.000 1.022 378 V CA -0.126 62.174 62.300 0.001 0.000 0.830 378 V CB 0.786 32.608 31.823 -0.002 0.000 1.012 378 V HN 0.723 nan 8.190 nan 0.000 0.452 379 I N 6.395 126.967 120.570 0.002 0.000 2.337 379 I HA 0.292 4.462 4.170 0.000 0.000 0.291 379 I C 0.356 176.472 176.117 -0.001 0.000 1.046 379 I CA -0.241 61.060 61.300 0.001 0.000 1.324 379 I CB 0.501 38.503 38.000 0.002 0.000 1.409 379 I HN 0.494 nan 8.210 nan 0.000 0.494 380 K N 6.639 127.037 120.400 -0.003 0.000 2.213 380 K HA 0.530 4.850 4.320 0.000 0.000 0.270 380 K C -0.812 175.786 176.600 -0.004 0.000 1.002 380 K CA -0.729 55.556 56.287 -0.004 0.000 0.868 380 K CB 2.363 34.860 32.500 -0.004 0.000 1.093 380 K HN 0.259 nan 8.250 nan 0.000 0.454 381 V N 2.164 122.075 119.914 -0.006 0.000 2.394 381 V HA 0.375 4.495 4.120 0.000 0.000 0.282 381 V C 0.634 176.724 176.094 -0.006 0.000 1.031 381 V CA -0.603 61.694 62.300 -0.006 0.000 0.881 381 V CB 1.417 33.235 31.823 -0.009 0.000 0.982 381 V HN 0.936 nan 8.190 nan 0.000 0.451 382 G N 2.846 111.643 108.800 -0.005 0.000 2.441 382 G HA2 0.862 4.822 3.960 0.000 0.000 0.334 382 G HA3 0.862 4.822 3.960 0.000 0.000 0.334 382 G C -0.515 174.382 174.900 -0.005 0.000 1.161 382 G CA 0.125 45.222 45.100 -0.005 0.000 0.935 382 G HN 1.171 nan 8.290 nan 0.000 0.488 383 A N -0.633 122.184 122.820 -0.005 0.000 2.506 383 A HA 0.815 5.135 4.320 0.000 0.000 0.305 383 A C 0.770 178.352 177.584 -0.004 0.000 1.166 383 A CA 0.475 52.509 52.037 -0.005 0.000 0.638 383 A CB 0.368 19.365 19.000 -0.005 0.000 1.336 383 A HN 1.763 nan 8.150 nan 0.000 0.493 384 A N -0.929 121.889 122.820 -0.004 0.000 1.997 384 A HA 0.477 4.797 4.320 0.000 0.000 0.212 384 A C 1.108 178.691 177.584 -0.003 0.000 1.178 384 A CA 2.078 54.113 52.037 -0.003 0.000 0.698 384 A CB -0.469 18.529 19.000 -0.003 0.000 0.842 384 A HN 1.815 nan 8.150 nan 0.000 0.458 385 T N -3.807 110.745 114.554 -0.003 0.000 2.916 385 T HA 0.468 4.818 4.350 0.000 0.000 0.292 385 T C 0.501 175.199 174.700 -0.003 0.000 1.055 385 T CA 0.027 62.126 62.100 -0.002 0.000 1.009 385 T CB 2.000 70.867 68.868 -0.002 0.000 1.118 385 T HN 0.258 nan 8.240 nan 0.000 0.497 386 E N 0.319 120.518 120.200 -0.002 0.000 2.086 386 E HA -0.207 4.144 4.350 0.000 0.000 0.200 386 E C 1.906 178.505 176.600 -0.002 0.000 1.012 386 E CA 2.044 58.443 56.400 -0.002 0.000 0.812 386 E CB -0.371 29.329 29.700 -0.001 0.000 0.743 386 E HN 0.573 nan 8.360 nan 0.000 0.453 387 V N 0.716 120.629 119.914 -0.002 0.000 2.282 387 V HA -0.282 3.838 4.120 0.000 0.000 0.249 387 V C 2.176 178.268 176.094 -0.004 0.000 1.057 387 V CA 2.405 64.704 62.300 -0.002 0.000 1.032 387 V CB -0.780 31.042 31.823 -0.001 0.000 0.645 387 V HN 0.262 nan 8.190 nan 0.000 0.447 388 E N -0.600 119.598 120.200 -0.004 0.000 2.107 388 E HA -0.163 4.187 4.350 0.000 0.000 0.191 388 E C 2.200 178.796 176.600 -0.007 0.000 0.982 388 E CA 1.149 57.545 56.400 -0.006 0.000 0.809 388 E CB -0.219 29.478 29.700 -0.005 0.000 0.756 388 E HN 0.442 nan 8.360 nan 0.000 0.459 389 M N 1.089 120.686 119.600 -0.006 0.000 2.065 389 M HA -0.214 4.267 4.480 0.000 0.000 0.259 389 M C 1.805 178.100 176.300 -0.009 0.000 1.071 389 M CA 1.666 56.962 55.300 -0.007 0.000 1.109 389 M CB -0.219 32.377 32.600 -0.006 0.000 1.313 389 M HN -0.092 nan 8.290 nan 0.000 0.408 390 K N 0.280 120.675 120.400 -0.008 0.000 2.103 390 K HA -0.175 4.145 4.320 0.000 0.000 0.207 390 K C 1.826 178.418 176.600 -0.013 0.000 1.048 390 K CA 1.549 57.831 56.287 -0.009 0.000 0.930 390 K CB -0.379 32.117 32.500 -0.007 0.000 0.716 390 K HN 0.567 nan 8.250 nan 0.000 0.444 391 E N 0.485 120.679 120.200 -0.011 0.000 2.107 391 E HA -0.140 4.210 4.350 0.000 0.000 0.191 391 E C 2.027 178.617 176.600 -0.017 0.000 0.982 391 E CA 0.901 57.293 56.400 -0.014 0.000 0.809 391 E CB 0.059 29.752 29.700 -0.011 0.000 0.756 391 E HN 0.181 nan 8.360 nan 0.000 0.459 392 K N 1.318 121.709 120.400 -0.015 0.000 2.148 392 K HA -0.155 4.165 4.320 0.000 0.000 0.204 392 K C 2.109 178.697 176.600 -0.020 0.000 1.050 392 K CA 0.983 57.261 56.287 -0.016 0.000 0.942 392 K CB 0.108 32.601 32.500 -0.012 0.000 0.724 392 K HN -0.115 nan 8.250 nan 0.000 0.446 393 K N 0.151 120.539 120.400 -0.020 0.000 2.057 393 K HA -0.132 4.188 4.320 0.000 0.000 0.207 393 K C 1.917 178.495 176.600 -0.037 0.000 1.049 393 K CA 1.311 57.584 56.287 -0.024 0.000 0.931 393 K CB -0.137 32.351 32.500 -0.019 0.000 0.714 393 K HN 0.189 nan 8.250 nan 0.000 0.440 394 A N 1.264 124.062 122.820 -0.037 0.000 1.930 394 A HA -0.122 4.198 4.320 0.000 0.000 0.217 394 A C 2.096 179.645 177.584 -0.059 0.000 1.175 394 A CA 1.166 53.173 52.037 -0.051 0.000 0.627 394 A CB -0.408 18.568 19.000 -0.040 0.000 0.815 394 A HN 0.300 nan 8.150 nan 0.000 0.443 395 R N -0.702 119.772 120.500 -0.043 0.000 2.081 395 R HA -0.096 4.244 4.340 0.000 0.000 0.235 395 R C 2.047 178.321 176.300 -0.044 0.000 1.131 395 R CA 1.577 57.653 56.100 -0.039 0.000 0.960 395 R CB -0.437 29.847 30.300 -0.026 0.000 0.856 395 R HN 0.397 nan 8.270 nan 0.000 0.436 396 V N 0.792 120.682 119.914 -0.040 0.000 2.358 396 V HA -0.220 3.900 4.120 0.000 0.000 0.246 396 V C 1.944 178.004 176.094 -0.057 0.000 1.047 396 V CA 1.776 64.055 62.300 -0.034 0.000 1.035 396 V CB -0.382 31.427 31.823 -0.022 0.000 0.658 396 V HN 0.348 nan 8.190 nan 0.000 0.452 397 E N -0.103 120.043 120.200 -0.090 0.000 2.077 397 E HA -0.238 4.112 4.350 0.000 0.000 0.193 397 E C 1.991 178.409 176.600 -0.303 0.000 0.989 397 E CA 1.540 57.836 56.400 -0.174 0.000 0.800 397 E CB -0.145 29.445 29.700 -0.184 0.000 0.746 397 E HN 0.587 nan 8.360 nan 0.000 0.452 398 D N 0.110 120.383 120.400 -0.213 0.000 2.097 398 D HA -0.153 4.487 4.640 0.000 0.000 0.195 398 D C 1.831 178.084 176.300 -0.078 0.000 0.989 398 D CA 1.434 55.332 54.000 -0.170 0.000 0.827 398 D CB -0.326 40.418 40.800 -0.094 0.000 0.966 398 D HN 0.190 nan 8.370 nan 0.000 0.456 399 A N 0.441 123.233 122.820 -0.047 0.000 1.969 399 A HA -0.106 4.214 4.320 0.000 0.000 0.218 399 A C 2.142 179.739 177.584 0.022 0.000 1.169 399 A CA 0.844 52.876 52.037 -0.007 0.000 0.635 399 A CB -0.639 18.356 19.000 -0.009 0.000 0.810 399 A HN 0.232 nan 8.150 nan 0.000 0.445 400 L N -0.314 120.924 121.223 0.026 0.000 2.017 400 L HA -0.202 4.138 4.340 0.000 0.000 0.208 400 L C 2.344 179.319 176.870 0.176 0.000 1.073 400 L CA 2.421 57.315 54.840 0.089 0.000 0.745 400 L CB -0.862 41.259 42.059 0.103 0.000 0.894 400 L HN 0.587 nan 8.230 nan 0.000 0.432 401 H N -1.112 117.956 119.070 -0.003 0.000 2.321 401 H HA -0.114 4.442 4.556 0.000 0.000 0.300 401 H C 2.103 177.432 175.328 0.001 0.000 1.087 401 H CA 0.772 56.819 56.048 -0.002 0.000 1.319 401 H CB -0.055 29.705 29.762 -0.002 0.000 1.379 401 H HN 0.552 nan 8.280 nan 0.000 0.501 402 A N 0.536 123.439 122.820 0.138 0.000 1.933 402 A HA -0.163 4.157 4.320 0.000 0.000 0.218 402 A C 2.406 180.022 177.584 0.052 0.000 1.175 402 A CA 2.031 54.111 52.037 0.073 0.000 0.628 402 A CB -0.721 18.306 19.000 0.045 0.000 0.814 402 A HN 0.334 nan 8.150 nan 0.000 0.444 403 T N -1.098 113.487 114.554 0.052 0.000 2.942 403 T HA -0.042 4.308 4.350 0.000 0.000 0.265 403 T C 2.139 176.857 174.700 0.029 0.000 1.062 403 T CA 0.969 63.089 62.100 0.034 0.000 1.139 403 T CB -0.188 68.697 68.868 0.029 0.000 0.883 403 T HN 0.289 nan 8.240 nan 0.000 0.468 404 R N 2.157 122.678 120.500 0.035 0.000 2.097 404 R HA 0.013 4.353 4.340 0.000 0.000 0.236 404 R C 2.576 178.882 176.300 0.009 0.000 1.135 404 R CA 2.090 58.200 56.100 0.015 0.000 0.934 404 R CB -1.325 28.976 30.300 0.002 0.000 0.846 404 R HN 0.396 nan 8.270 nan 0.000 0.431 405 A N 0.218 123.046 122.820 0.014 0.000 1.917 405 A HA -0.150 4.170 4.320 0.000 0.000 0.219 405 A C 2.332 179.925 177.584 0.015 0.000 1.182 405 A CA 2.404 54.449 52.037 0.013 0.000 0.633 405 A CB -0.870 18.143 19.000 0.022 0.000 0.819 405 A HN 0.472 nan 8.150 nan 0.000 0.448 406 A N -0.334 122.497 122.820 0.018 0.000 2.066 406 A HA 0.109 4.429 4.320 0.000 0.000 0.218 406 A C 2.164 179.756 177.584 0.012 0.000 1.157 406 A CA 1.654 53.700 52.037 0.016 0.000 0.670 406 A CB -0.903 18.107 19.000 0.017 0.000 0.804 406 A HN 1.209 nan 8.150 nan 0.000 0.453 407 V N -2.814 117.106 119.914 0.011 0.000 3.129 407 V HA -0.031 4.090 4.120 0.000 0.000 0.259 407 V C 1.599 177.696 176.094 0.006 0.000 1.116 407 V CA 1.820 64.125 62.300 0.008 0.000 1.127 407 V CB -0.496 31.331 31.823 0.007 0.000 0.742 407 V HN 0.546 nan 8.190 nan 0.000 0.474 408 E N 0.731 120.934 120.200 0.006 0.000 2.076 408 E HA -0.036 4.314 4.350 0.000 0.000 0.190 408 E C 1.546 178.149 176.600 0.005 0.000 0.979 408 E CA 1.505 57.908 56.400 0.004 0.000 0.807 408 E CB 0.086 29.788 29.700 0.002 0.000 0.761 408 E HN 0.741 nan 8.360 nan 0.000 0.454 409 E N -0.913 119.292 120.200 0.007 0.000 2.789 409 E HA 0.196 4.547 4.350 0.000 0.000 0.217 409 E C 0.163 176.768 176.600 0.009 0.000 0.970 409 E CA 0.115 56.520 56.400 0.007 0.000 1.201 409 E CB 1.635 31.340 29.700 0.007 0.000 1.069 409 E HN 0.248 nan 8.360 nan 0.000 0.499 410 G N 0.900 109.706 108.800 0.010 0.000 2.593 410 G HA2 -0.255 3.706 3.960 0.000 0.000 0.237 410 G HA3 -0.255 3.706 3.960 0.000 0.000 0.237 410 G C -0.633 174.274 174.900 0.013 0.000 1.312 410 G CA -0.241 44.866 45.100 0.011 0.000 0.896 410 G HN 0.158 nan 8.290 nan 0.000 0.574 411 V N -0.146 119.775 119.914 0.013 0.000 2.971 411 V HA 0.767 4.887 4.120 0.000 0.000 0.309 411 V C 0.159 176.262 176.094 0.015 0.000 1.130 411 V CA 0.239 62.547 62.300 0.014 0.000 0.964 411 V CB 1.901 33.731 31.823 0.013 0.000 1.029 411 V HN 2.020 nan 8.190 nan 0.000 0.427 412 V N 1.854 121.777 119.914 0.016 0.000 3.181 412 V HA 0.965 5.085 4.120 0.000 0.000 0.308 412 V C 0.067 176.173 176.094 0.018 0.000 1.214 412 V CA -0.909 61.402 62.300 0.019 0.000 1.053 412 V CB 1.595 33.430 31.823 0.020 0.000 1.069 412 V HN 1.407 nan 8.190 nan 0.000 0.441 413 A N 0.957 123.790 122.820 0.022 0.000 2.548 413 A HA 0.619 4.939 4.320 0.000 0.000 0.247 413 A C 0.888 178.482 177.584 0.017 0.000 1.067 413 A CA 0.746 52.795 52.037 0.020 0.000 0.757 413 A CB -0.592 18.425 19.000 0.028 0.000 0.996 413 A HN 1.968 nan 8.150 nan 0.000 0.504 414 G N 0.925 109.730 108.800 0.009 0.000 2.494 414 G HA2 0.520 4.480 3.960 0.000 0.000 0.270 414 G HA3 0.520 4.480 3.960 0.000 0.000 0.270 414 G C 1.118 176.023 174.900 0.009 0.000 1.423 414 G CA -0.049 45.056 45.100 0.008 0.000 1.055 414 G HN 2.235 nan 8.290 nan 0.000 0.536 415 G N -2.026 106.779 108.800 0.008 0.000 2.283 415 G HA2 0.213 4.173 3.960 0.000 0.000 0.280 415 G HA3 0.213 4.173 3.960 0.000 0.000 0.280 415 G C 1.508 176.426 174.900 0.031 0.000 1.029 415 G CA 1.272 46.381 45.100 0.015 0.000 0.840 415 G HN 2.469 nan 8.290 nan 0.000 0.505 416 G N -2.997 105.820 108.800 0.027 0.000 2.234 416 G HA2 -0.266 3.695 3.960 0.000 0.000 0.260 416 G HA3 -0.266 3.695 3.960 0.000 0.000 0.260 416 G C 1.446 176.367 174.900 0.036 0.000 0.987 416 G CA 1.201 46.319 45.100 0.031 0.000 0.625 416 G HN 1.448 nan 8.290 nan 0.000 0.532 417 V N 1.281 121.218 119.914 0.037 0.000 2.307 417 V HA 0.020 4.140 4.120 0.000 0.000 0.245 417 V C 3.300 179.420 176.094 0.043 0.000 1.045 417 V CA 2.940 65.266 62.300 0.045 0.000 1.024 417 V CB -1.242 30.606 31.823 0.040 0.000 0.651 417 V HN 1.017 nan 8.190 nan 0.000 0.449 418 A N -0.006 122.836 122.820 0.036 0.000 1.903 418 A HA -0.258 4.062 4.320 0.000 0.000 0.219 418 A C 2.246 179.849 177.584 0.032 0.000 1.191 418 A CA 2.327 54.384 52.037 0.034 0.000 0.638 418 A CB -0.718 18.299 19.000 0.028 0.000 0.823 418 A HN 0.510 nan 8.150 nan 0.000 0.451 419 L N -1.225 120.016 121.223 0.029 0.000 2.046 419 L HA -0.143 4.197 4.340 0.000 0.000 0.208 419 L C 2.545 179.432 176.870 0.029 0.000 1.077 419 L CA 1.558 56.414 54.840 0.026 0.000 0.747 419 L CB -0.336 41.738 42.059 0.025 0.000 0.896 419 L HN 0.505 nan 8.230 nan 0.000 0.432 420 I N -0.604 119.987 120.570 0.034 0.000 2.500 420 I HA -0.251 3.920 4.170 0.000 0.000 0.252 420 I C 2.748 178.890 176.117 0.042 0.000 1.142 420 I CA 0.698 62.020 61.300 0.037 0.000 1.451 420 I CB 0.057 38.082 38.000 0.042 0.000 1.093 420 I HN 0.172 nan 8.210 nan 0.000 0.430 421 R N 0.590 121.119 120.500 0.048 0.000 2.080 421 R HA -0.188 4.153 4.340 0.000 0.000 0.236 421 R C 2.277 178.599 176.300 0.037 0.000 1.137 421 R CA 2.453 58.584 56.100 0.051 0.000 0.943 421 R CB -0.703 29.631 30.300 0.057 0.000 0.846 421 R HN 0.433 nan 8.270 nan 0.000 0.431 422 V N -1.358 118.574 119.914 0.030 0.000 2.515 422 V HA 0.006 4.126 4.120 0.000 0.000 0.250 422 V C 2.102 178.208 176.094 0.020 0.000 1.058 422 V CA 1.687 64.000 62.300 0.023 0.000 1.064 422 V CB -0.927 30.907 31.823 0.018 0.000 0.675 422 V HN 0.378 nan 8.190 nan 0.000 0.461 423 A N 1.773 124.606 122.820 0.022 0.000 1.898 423 A HA -0.140 4.180 4.320 0.000 0.000 0.216 423 A C 2.569 180.164 177.584 0.018 0.000 1.181 423 A CA 2.331 54.379 52.037 0.018 0.000 0.620 423 A CB -1.117 17.894 19.000 0.018 0.000 0.819 423 A HN 1.043 nan 8.150 nan 0.000 0.442 424 S N -0.292 115.422 115.700 0.023 0.000 2.500 424 S HA -0.107 4.363 4.470 0.000 0.000 0.239 424 S C 1.435 176.045 174.600 0.017 0.000 0.989 424 S CA 1.483 59.696 58.200 0.022 0.000 0.951 424 S CB -0.288 62.929 63.200 0.029 0.000 0.759 424 S HN 0.611 nan 8.310 nan 0.000 0.523 425 K N 0.375 120.785 120.400 0.017 0.000 2.393 425 K HA 0.362 4.682 4.320 0.000 0.000 0.193 425 K C 0.658 177.264 176.600 0.010 0.000 1.026 425 K CA 0.181 56.476 56.287 0.013 0.000 1.064 425 K CB 0.085 32.593 32.500 0.014 0.000 0.833 425 K HN 0.381 nan 8.250 nan 0.000 0.521 426 L N -0.009 121.220 121.223 0.010 0.000 2.965 426 L HA 0.285 4.626 4.340 0.000 0.000 0.254 426 L C 1.590 178.464 176.870 0.006 0.000 1.220 426 L CA -0.248 54.596 54.840 0.007 0.000 1.023 426 L CB 0.307 42.370 42.059 0.007 0.000 1.355 426 L HN 0.059 nan 8.230 nan 0.000 0.545 427 A N 0.239 123.063 122.820 0.006 0.000 1.978 427 A HA -0.201 4.119 4.320 0.000 0.000 0.220 427 A C 1.646 179.232 177.584 0.004 0.000 1.170 427 A CA 1.749 53.789 52.037 0.005 0.000 0.636 427 A CB -0.206 18.797 19.000 0.005 0.000 0.810 427 A HN 0.429 nan 8.150 nan 0.000 0.448 428 D N -0.859 119.543 120.400 0.003 0.000 2.340 428 D HA 0.111 4.751 4.640 0.000 0.000 0.220 428 D C 0.241 176.543 176.300 0.002 0.000 1.039 428 D CA -0.159 53.842 54.000 0.002 0.000 0.866 428 D CB -0.109 40.692 40.800 0.002 0.000 0.913 428 D HN 0.338 nan 8.370 nan 0.000 0.523 429 L N 1.917 123.142 121.223 0.003 0.000 2.453 429 L HA 0.073 4.413 4.340 0.000 0.000 0.272 429 L C 0.133 177.004 176.870 0.002 0.000 1.182 429 L CA 0.572 55.413 54.840 0.002 0.000 0.858 429 L CB 0.192 42.253 42.059 0.003 0.000 1.120 429 L HN -0.229 nan 8.230 nan 0.000 0.474 430 R N 2.970 123.471 120.500 0.002 0.000 2.836 430 R HA 0.736 5.076 4.340 0.000 0.000 0.269 430 R C -0.218 176.083 176.300 0.001 0.000 1.010 430 R CA -0.333 55.768 56.100 0.001 0.000 0.930 430 R CB 1.531 31.832 30.300 0.001 0.000 1.218 430 R HN 0.813 nan 8.270 nan 0.000 0.473 431 G N -0.362 108.439 108.800 0.001 0.000 3.217 431 G HA2 0.211 4.171 3.960 0.000 0.000 0.213 431 G HA3 0.211 4.171 3.960 0.000 0.000 0.213 431 G C 0.076 174.976 174.900 0.001 0.000 1.294 431 G CA -0.269 44.831 45.100 0.001 0.000 0.987 431 G HN 0.403 nan 8.290 nan 0.000 0.584 432 Q N -0.395 119.406 119.800 0.001 0.000 2.224 432 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 432 Q C 0.268 176.269 176.000 0.001 0.000 0.970 432 Q CA 1.410 57.213 55.803 0.001 0.000 0.865 432 Q CB -0.054 28.684 28.738 0.001 0.000 0.922 432 Q HN 0.610 nan 8.270 nan 0.000 0.445 433 N N -2.381 116.319 118.700 0.001 0.000 3.106 433 N HA 0.017 4.757 4.740 0.000 0.000 0.253 433 N C -0.161 175.350 175.510 0.002 0.000 1.506 433 N CA -0.538 52.513 53.050 0.001 0.000 0.876 433 N CB 0.387 38.875 38.487 0.001 0.000 1.452 433 N HN -0.254 nan 8.380 nan 0.000 0.542 434 E N -0.364 119.837 120.200 0.002 0.000 2.110 434 E HA -0.106 4.244 4.350 0.000 0.000 0.193 434 E C 0.439 177.040 176.600 0.002 0.000 0.988 434 E CA 1.620 58.021 56.400 0.002 0.000 0.804 434 E CB -0.352 29.349 29.700 0.002 0.000 0.745 434 E HN 0.580 nan 8.360 nan 0.000 0.458 435 D N 0.095 120.497 120.400 0.003 0.000 2.144 435 D HA -0.148 4.492 4.640 0.000 0.000 0.199 435 D C 1.858 178.160 176.300 0.003 0.000 0.984 435 D CA 0.915 54.917 54.000 0.003 0.000 0.834 435 D CB -0.188 40.614 40.800 0.004 0.000 0.955 435 D HN 0.351 nan 8.370 nan 0.000 0.465 436 Q N 0.065 119.867 119.800 0.003 0.000 2.124 436 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 436 Q C 1.816 177.818 176.000 0.003 0.000 0.977 436 Q CA 1.041 56.846 55.803 0.003 0.000 0.850 436 Q CB -0.122 28.617 28.738 0.002 0.000 0.901 436 Q HN 0.411 nan 8.270 nan 0.000 0.429 437 N N -0.299 118.402 118.700 0.003 0.000 2.166 437 N HA -0.153 4.587 4.740 0.000 0.000 0.186 437 N C 1.863 177.375 175.510 0.003 0.000 1.019 437 N CA 1.140 54.192 53.050 0.003 0.000 0.856 437 N CB -0.059 38.429 38.487 0.002 0.000 0.993 437 N HN 0.124 nan 8.380 nan 0.000 0.426 438 V N 0.308 120.224 119.914 0.003 0.000 2.515 438 V HA 0.016 4.136 4.120 0.000 0.000 0.250 438 V C 2.013 178.110 176.094 0.005 0.000 1.058 438 V CA 2.054 64.357 62.300 0.004 0.000 1.064 438 V CB -1.042 30.783 31.823 0.004 0.000 0.675 438 V HN 0.274 nan 8.190 nan 0.000 0.461 439 G N 0.546 109.349 108.800 0.005 0.000 2.476 439 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 439 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 439 G C 1.535 176.438 174.900 0.005 0.000 1.164 439 G CA 1.528 46.631 45.100 0.005 0.000 0.768 439 G HN 0.581 nan 8.290 nan 0.000 0.560 440 I N 0.457 121.029 120.570 0.004 0.000 2.142 440 I HA -0.165 4.005 4.170 0.000 0.000 0.240 440 I C 2.762 178.882 176.117 0.005 0.000 1.078 440 I CA 1.224 62.526 61.300 0.004 0.000 1.343 440 I CB -0.149 37.853 38.000 0.003 0.000 1.046 440 I HN 0.006 nan 8.210 nan 0.000 0.405 441 K N 0.651 121.054 120.400 0.005 0.000 2.063 441 K HA -0.123 4.198 4.320 0.000 0.000 0.208 441 K C 2.154 178.758 176.600 0.007 0.000 1.048 441 K CA 1.112 57.402 56.287 0.006 0.000 0.928 441 K CB -0.974 31.529 32.500 0.005 0.000 0.713 441 K HN 0.218 nan 8.250 nan 0.000 0.442 442 V N 1.878 121.796 119.914 0.007 0.000 2.252 442 V HA -0.314 3.806 4.120 0.000 0.000 0.249 442 V C 2.547 178.646 176.094 0.009 0.000 1.056 442 V CA 2.207 64.511 62.300 0.008 0.000 1.022 442 V CB -0.934 30.893 31.823 0.008 0.000 0.641 442 V HN 0.355 nan 8.190 nan 0.000 0.445 443 A N -0.336 122.489 122.820 0.008 0.000 1.883 443 A HA -0.194 4.126 4.320 0.000 0.000 0.217 443 A C 2.199 179.789 177.584 0.010 0.000 1.186 443 A CA 2.087 54.129 52.037 0.009 0.000 0.624 443 A CB -0.618 18.386 19.000 0.007 0.000 0.822 443 A HN 0.519 nan 8.150 nan 0.000 0.444 444 L N -1.333 119.895 121.223 0.009 0.000 2.083 444 L HA -0.175 4.165 4.340 0.000 0.000 0.209 444 L C 2.838 179.714 176.870 0.011 0.000 1.083 444 L CA 1.817 56.663 54.840 0.010 0.000 0.752 444 L CB -0.545 41.520 42.059 0.009 0.000 0.899 444 L HN 0.474 nan 8.230 nan 0.000 0.433 445 R N 0.311 120.817 120.500 0.010 0.000 2.119 445 R HA -0.075 4.265 4.340 0.000 0.000 0.222 445 R C 2.363 178.670 176.300 0.011 0.000 1.088 445 R CA 1.062 57.168 56.100 0.010 0.000 0.984 445 R CB -0.088 30.217 30.300 0.009 0.000 0.884 445 R HN 0.299 nan 8.270 nan 0.000 0.447 446 A N 1.137 123.964 122.820 0.012 0.000 1.933 446 A HA -0.167 4.153 4.320 0.000 0.000 0.218 446 A C 2.129 179.722 177.584 0.015 0.000 1.175 446 A CA 1.444 53.489 52.037 0.013 0.000 0.628 446 A CB -0.449 18.560 19.000 0.014 0.000 0.814 446 A HN 0.337 nan 8.150 nan 0.000 0.444 447 M N -0.325 119.285 119.600 0.015 0.000 2.435 447 M HA -0.188 4.293 4.480 0.000 0.000 0.262 447 M C 1.417 177.729 176.300 0.019 0.000 1.065 447 M CA 1.356 56.666 55.300 0.018 0.000 1.076 447 M CB -0.465 32.145 32.600 0.017 0.000 1.403 447 M HN 0.513 nan 8.290 nan 0.000 0.454 448 E N 0.188 120.399 120.200 0.017 0.000 2.435 448 E HA 0.008 4.359 4.350 0.000 0.000 0.195 448 E C 2.078 178.687 176.600 0.014 0.000 1.029 448 E CA 0.539 56.950 56.400 0.017 0.000 0.865 448 E CB -0.017 29.692 29.700 0.014 0.000 0.833 448 E HN 0.506 nan 8.360 nan 0.000 0.510 449 A N 2.583 125.411 122.820 0.014 0.000 1.883 449 A HA -0.127 4.193 4.320 0.000 0.000 0.217 449 A C -0.261 177.332 177.584 0.014 0.000 1.186 449 A CA 1.221 53.265 52.037 0.013 0.000 0.624 449 A CB -1.372 17.636 19.000 0.014 0.000 0.822 449 A HN 0.142 nan 8.150 nan 0.000 0.444 450 P HA -0.163 nan 4.420 nan 0.000 0.214 450 P C 1.754 179.065 177.300 0.020 0.000 1.163 450 P CA 1.064 64.176 63.100 0.019 0.000 0.883 450 P CB -0.149 31.564 31.700 0.022 0.000 0.788 451 L N -0.442 120.794 121.223 0.021 0.000 2.042 451 L HA -0.158 4.182 4.340 0.000 0.000 0.210 451 L C 2.371 179.245 176.870 0.006 0.000 1.076 451 L CA 1.879 56.732 54.840 0.023 0.000 0.749 451 L CB -0.643 41.432 42.059 0.027 0.000 0.893 451 L HN -0.215 nan 8.230 nan 0.000 0.432 452 R N -1.105 119.395 120.500 0.001 0.000 2.081 452 R HA -0.187 4.153 4.340 0.000 0.000 0.235 452 R C 2.330 178.627 176.300 -0.005 0.000 1.131 452 R CA 1.409 57.503 56.100 -0.010 0.000 0.960 452 R CB -0.488 29.808 30.300 -0.006 0.000 0.856 452 R HN 0.363 nan 8.270 nan 0.000 0.436 453 Q N 1.200 121.002 119.800 0.005 0.000 2.050 453 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 453 Q C 1.885 177.892 176.000 0.012 0.000 0.980 453 Q CA 1.583 57.390 55.803 0.007 0.000 0.840 453 Q CB -0.195 28.549 28.738 0.010 0.000 0.898 453 Q HN 0.341 nan 8.270 nan 0.000 0.424 454 I N -0.738 119.844 120.570 0.019 0.000 2.208 454 I HA -0.279 3.891 4.170 0.000 0.000 0.245 454 I C 1.985 178.126 176.117 0.040 0.000 1.097 454 I CA 1.012 62.331 61.300 0.032 0.000 1.363 454 I CB -0.238 37.788 38.000 0.044 0.000 1.051 454 I HN 0.058 nan 8.210 nan 0.000 0.413 455 V N 0.376 120.302 119.914 0.020 0.000 2.548 455 V HA -0.219 3.902 4.120 0.000 0.000 0.249 455 V C 2.257 178.346 176.094 -0.008 0.000 1.055 455 V CA 1.205 63.500 62.300 -0.008 0.000 1.065 455 V CB -0.283 31.468 31.823 -0.119 0.000 0.681 455 V HN 0.344 nan 8.190 nan 0.000 0.462 456 L N 0.827 122.046 121.223 -0.007 0.000 2.046 456 L HA -0.122 4.219 4.340 0.000 0.000 0.208 456 L C 2.159 179.033 176.870 0.006 0.000 1.077 456 L CA 1.890 56.728 54.840 -0.003 0.000 0.747 456 L CB -0.796 41.261 42.059 -0.003 0.000 0.896 456 L HN 0.296 nan 8.230 nan 0.000 0.432 457 N N -0.985 117.722 118.700 0.012 0.000 2.348 457 N HA -0.167 4.573 4.740 0.000 0.000 0.185 457 N C 1.615 177.137 175.510 0.019 0.000 1.019 457 N CA 1.492 54.550 53.050 0.014 0.000 0.880 457 N CB -0.717 37.779 38.487 0.014 0.000 0.965 457 N HN 0.443 nan 8.380 nan 0.000 0.437 458 C N -0.534 118.784 119.300 0.029 0.000 2.576 458 C HA 0.272 4.732 4.460 0.000 0.000 0.267 458 C C 1.685 176.692 174.990 0.028 0.000 1.364 458 C CA 0.088 59.129 59.018 0.038 0.000 1.723 458 C CB -1.180 26.609 27.740 0.081 0.000 1.778 458 C HN 0.589 nan 8.230 nan 0.000 0.572 459 G N 1.256 110.066 108.800 0.017 0.000 2.179 459 G HA2 -0.188 3.772 3.960 0.000 0.000 0.257 459 G HA3 -0.188 3.772 3.960 0.000 0.000 0.257 459 G C -0.152 174.754 174.900 0.010 0.000 1.010 459 G CA 0.402 45.509 45.100 0.012 0.000 0.736 459 G HN 0.515 nan 8.290 nan 0.000 0.513 460 E N -0.151 120.052 120.200 0.004 0.000 2.254 460 E HA 0.449 4.799 4.350 0.000 0.000 0.258 460 E C 0.203 176.781 176.600 -0.036 0.000 1.033 460 E CA -0.852 55.539 56.400 -0.015 0.000 0.893 460 E CB 0.600 30.281 29.700 -0.033 0.000 1.204 460 E HN 0.422 nan 8.360 nan 0.000 0.425 461 E N 2.260 122.433 120.200 -0.044 0.000 1.996 461 E HA 0.093 4.443 4.350 0.000 0.000 0.280 461 E C -1.524 175.040 176.600 -0.060 0.000 1.092 461 E CA -1.657 54.720 56.400 -0.037 0.000 0.862 461 E CB 0.833 30.521 29.700 -0.020 0.000 1.066 461 E HN 0.138 nan 8.360 nan 0.000 0.396 462 P HA -0.229 nan 4.420 nan 0.000 0.215 462 P C 1.280 178.551 177.300 -0.047 0.000 1.153 462 P CA 1.288 64.352 63.100 -0.061 0.000 0.853 462 P CB 0.188 31.867 31.700 -0.035 0.000 0.788 463 S N -0.975 114.708 115.700 -0.028 0.000 2.423 463 S HA -0.066 4.405 4.470 0.000 0.000 0.231 463 S C 2.058 176.650 174.600 -0.014 0.000 1.014 463 S CA 0.983 59.173 58.200 -0.016 0.000 0.965 463 S CB -1.676 61.519 63.200 -0.008 0.000 0.785 463 S HN -0.036 nan 8.310 nan 0.000 0.495 464 V N 1.757 121.661 119.914 -0.017 0.000 2.307 464 V HA -0.108 4.012 4.120 0.000 0.000 0.245 464 V C 2.647 178.744 176.094 0.005 0.000 1.045 464 V CA 1.519 63.816 62.300 -0.004 0.000 1.024 464 V CB -0.752 31.072 31.823 0.001 0.000 0.651 464 V HN 0.448 nan 8.190 nan 0.000 0.449 465 V N 0.466 120.355 119.914 -0.042 0.000 2.343 465 V HA -0.253 3.867 4.120 0.000 0.000 0.247 465 V C 2.743 178.848 176.094 0.018 0.000 1.051 465 V CA 1.969 64.240 62.300 -0.050 0.000 1.036 465 V CB -1.230 30.350 31.823 -0.405 0.000 0.654 465 V HN 0.549 nan 8.190 nan 0.000 0.451 466 A N 0.528 123.341 122.820 -0.011 0.000 1.908 466 A HA -0.334 3.987 4.320 0.000 0.000 0.218 466 A C 2.079 179.685 177.584 0.037 0.000 1.181 466 A CA 2.553 54.601 52.037 0.018 0.000 0.627 466 A CB -0.933 18.070 19.000 0.006 0.000 0.818 466 A HN 0.636 nan 8.150 nan 0.000 0.445 467 N N -0.974 117.740 118.700 0.024 0.000 2.120 467 N HA -0.118 4.623 4.740 0.000 0.000 0.188 467 N C 1.689 177.215 175.510 0.026 0.000 1.024 467 N CA 2.261 55.323 53.050 0.020 0.000 0.852 467 N CB -0.299 38.192 38.487 0.007 0.000 1.003 467 N HN 0.403 nan 8.380 nan 0.000 0.424 468 T N -0.506 114.065 114.554 0.028 0.000 2.701 468 T HA -0.057 4.293 4.350 0.000 0.000 0.263 468 T C 1.955 176.724 174.700 0.115 0.000 1.040 468 T CA 1.233 63.330 62.100 -0.006 0.000 1.147 468 T CB -0.450 68.324 68.868 -0.156 0.000 0.865 468 T HN 0.012 nan 8.240 nan 0.000 0.426 469 V N 1.967 121.996 119.914 0.191 0.000 2.332 469 V HA -0.222 3.898 4.120 0.000 0.000 0.248 469 V C 2.470 178.680 176.094 0.195 0.000 1.055 469 V CA 1.610 64.057 62.300 0.245 0.000 1.038 469 V CB -0.550 31.381 31.823 0.179 0.000 0.651 469 V HN 0.497 nan 8.190 nan 0.000 0.450 470 K N 0.235 120.702 120.400 0.112 0.000 2.147 470 K HA -0.111 4.209 4.320 0.000 0.000 0.205 470 K C 2.076 178.712 176.600 0.060 0.000 1.049 470 K CA 1.463 57.795 56.287 0.076 0.000 0.936 470 K CB -0.484 32.042 32.500 0.044 0.000 0.722 470 K HN 0.585 nan 8.250 nan 0.000 0.446 471 G N 0.975 109.804 108.800 0.047 0.000 2.712 471 G HA2 0.021 3.981 3.960 0.000 0.000 0.212 471 G HA3 0.021 3.981 3.960 0.000 0.000 0.212 471 G C 0.677 175.555 174.900 -0.036 0.000 1.142 471 G CA 0.266 45.364 45.100 -0.002 0.000 0.789 471 G HN 0.313 nan 8.290 nan 0.000 0.535 472 G N -0.748 108.053 108.800 0.001 0.000 2.525 472 G HA2 0.458 4.419 3.960 0.000 0.000 0.287 472 G HA3 0.458 4.419 3.960 0.000 0.000 0.287 472 G C -1.348 173.545 174.900 -0.013 0.000 1.350 472 G CA -0.271 44.748 45.100 -0.134 0.000 1.039 472 G HN 0.098 nan 8.290 nan 0.000 0.513 473 D N -2.581 117.804 120.400 -0.025 0.000 2.527 473 D HA 0.544 5.184 4.640 0.000 0.000 0.233 473 D C 0.841 177.189 176.300 0.080 0.000 1.063 473 D CA 0.998 55.012 54.000 0.023 0.000 0.880 473 D CB 1.632 42.422 40.800 -0.015 0.000 1.457 473 D HN 0.979 nan 8.370 nan 0.000 0.475 474 G N 2.332 111.173 108.800 0.069 0.000 2.582 474 G HA2 -0.318 3.642 3.960 0.000 0.000 0.288 474 G HA3 -0.318 3.642 3.960 0.000 0.000 0.288 474 G C 0.529 175.490 174.900 0.103 0.000 1.247 474 G CA 0.145 45.288 45.100 0.072 0.000 0.972 474 G HN 0.628 nan 8.290 nan 0.000 0.557 475 N N 0.581 119.341 118.700 0.100 0.000 2.413 475 N HA 0.055 4.795 4.740 0.000 0.000 0.207 475 N C 0.392 175.987 175.510 0.142 0.000 1.206 475 N CA 0.394 53.503 53.050 0.099 0.000 0.832 475 N CB -0.027 38.500 38.487 0.067 0.000 1.037 475 N HN 0.497 nan 8.380 nan 0.000 0.467 476 Y N 1.210 121.542 120.300 0.054 0.000 2.526 476 Y HA 0.324 4.875 4.550 0.000 0.000 0.330 476 Y C 0.824 176.793 175.900 0.114 0.000 1.156 476 Y CA 0.245 58.392 58.100 0.077 0.000 1.419 476 Y CB 0.358 38.855 38.460 0.062 0.000 1.250 476 Y HN 0.078 nan 8.280 nan 0.000 0.540 477 G N 3.851 112.435 108.800 -0.361 0.000 2.650 477 G HA2 0.206 4.166 3.960 0.000 0.000 0.310 477 G HA3 0.206 4.166 3.960 0.000 0.000 0.310 477 G C -2.397 172.419 174.900 -0.140 0.000 1.270 477 G CA -0.950 44.022 45.100 -0.214 0.000 0.810 477 G HN 0.552 nan 8.290 nan 0.000 0.493 478 Y N 1.711 121.899 120.300 -0.187 0.000 2.328 478 Y HA 0.571 5.122 4.550 0.000 0.000 0.337 478 Y C 0.027 175.780 175.900 -0.245 0.000 1.008 478 Y CA -1.326 56.564 58.100 -0.350 0.000 1.129 478 Y CB 1.364 39.609 38.460 -0.359 0.000 1.185 478 Y HN 0.402 nan 8.280 nan 0.000 0.476 479 N N 4.766 123.073 118.700 -0.655 0.000 2.415 479 N HA 0.177 4.917 4.740 0.000 0.000 0.246 479 N C 0.326 175.387 175.510 -0.749 0.000 1.078 479 N CA 0.520 53.261 53.050 -0.516 0.000 0.942 479 N CB 1.413 39.679 38.487 -0.367 0.000 1.140 479 N HN 0.910 nan 8.380 nan 0.000 0.501 480 A N 3.752 126.308 122.820 -0.439 0.000 2.066 480 A HA 0.025 4.345 4.320 0.000 0.000 0.218 480 A C 2.046 179.508 177.584 -0.203 0.000 1.157 480 A CA 1.354 53.218 52.037 -0.288 0.000 0.670 480 A CB -0.380 18.610 19.000 -0.017 0.000 0.804 480 A HN 0.713 nan 8.150 nan 0.000 0.453 481 A N -0.142 122.571 122.820 -0.177 0.000 1.902 481 A HA -0.107 4.213 4.320 0.000 0.000 0.217 481 A C 2.279 179.776 177.584 -0.145 0.000 1.181 481 A CA 2.437 54.398 52.037 -0.127 0.000 0.623 481 A CB -0.900 18.041 19.000 -0.098 0.000 0.818 481 A HN 0.802 nan 8.150 nan 0.000 0.443 482 T N -4.173 110.257 114.554 -0.207 0.000 3.010 482 T HA 0.295 4.645 4.350 0.000 0.000 0.257 482 T C 0.171 174.740 174.700 -0.220 0.000 1.020 482 T CA 0.591 62.587 62.100 -0.172 0.000 0.938 482 T CB -0.176 68.602 68.868 -0.150 0.000 1.049 482 T HN 0.533 nan 8.240 nan 0.000 0.522 483 E N 1.489 121.465 120.200 -0.373 0.000 2.252 483 E HA -0.138 4.212 4.350 0.000 0.000 0.218 483 E C -0.844 175.538 176.600 -0.363 0.000 1.253 483 E CA 0.441 56.578 56.400 -0.438 0.000 0.705 483 E CB -0.834 28.797 29.700 -0.116 0.000 1.172 483 E HN 0.600 nan 8.360 nan 0.000 0.369 484 E N -0.329 119.572 120.200 -0.499 0.000 2.356 484 E HA 0.329 4.679 4.350 0.000 0.000 0.275 484 E C -0.737 175.667 176.600 -0.328 0.000 0.904 484 E CA -0.718 55.519 56.400 -0.273 0.000 0.757 484 E CB 1.050 30.670 29.700 -0.133 0.000 1.232 484 E HN 0.075 nan 8.360 nan 0.000 0.442 485 Y N 0.091 120.369 120.300 -0.037 0.000 2.326 485 Y HA 0.616 5.166 4.550 0.000 0.000 0.324 485 Y C 1.266 177.105 175.900 -0.101 0.000 1.291 485 Y CA 0.690 58.733 58.100 -0.094 0.000 1.348 485 Y CB 1.589 40.045 38.460 -0.007 0.000 1.294 485 Y HN 0.660 nan 8.280 nan 0.000 0.525 486 G N 0.586 109.371 108.800 -0.026 0.000 2.317 486 G HA2 -0.008 3.952 3.960 0.000 0.000 0.293 486 G HA3 -0.008 3.952 3.960 0.000 0.000 0.293 486 G C -1.998 172.918 174.900 0.027 0.000 1.287 486 G CA -1.181 43.951 45.100 0.052 0.000 0.850 486 G HN 0.536 nan 8.290 nan 0.000 0.515 487 N N 0.866 119.616 118.700 0.082 0.000 2.411 487 N HA 0.140 4.881 4.740 0.000 0.000 0.259 487 N C 1.544 177.068 175.510 0.024 0.000 1.103 487 N CA -0.499 52.599 53.050 0.080 0.000 0.954 487 N CB 0.888 39.426 38.487 0.084 0.000 1.085 487 N HN 0.401 nan 8.380 nan 0.000 0.485 488 M N 3.354 122.961 119.600 0.012 0.000 2.229 488 M HA -0.104 4.376 4.480 0.000 0.000 0.264 488 M C 1.512 177.811 176.300 -0.002 0.000 1.063 488 M CA 0.767 56.060 55.300 -0.011 0.000 1.114 488 M CB -0.271 32.324 32.600 -0.009 0.000 1.387 488 M HN 0.561 nan 8.290 nan 0.000 0.420 489 I N 0.807 121.385 120.570 0.013 0.000 2.193 489 I HA -0.237 3.933 4.170 0.000 0.000 0.240 489 I C 1.886 178.008 176.117 0.008 0.000 1.084 489 I CA 1.367 62.674 61.300 0.012 0.000 1.365 489 I CB -1.509 36.502 38.000 0.019 0.000 1.064 489 I HN 0.242 nan 8.210 nan 0.000 0.410 490 D N 0.818 121.226 120.400 0.013 0.000 2.158 490 D HA -0.208 4.432 4.640 0.000 0.000 0.197 490 D C 2.078 178.378 176.300 -0.001 0.000 0.995 490 D CA 1.310 55.316 54.000 0.009 0.000 0.846 490 D CB -0.270 40.540 40.800 0.016 0.000 0.941 490 D HN 0.356 nan 8.370 nan 0.000 0.456 491 M N -0.361 119.233 119.600 -0.010 0.000 2.618 491 M HA 0.141 4.621 4.480 0.000 0.000 0.240 491 M C 0.950 177.234 176.300 -0.026 0.000 1.123 491 M CA 0.393 55.678 55.300 -0.025 0.000 1.060 491 M CB 0.317 32.889 32.600 -0.045 0.000 1.535 491 M HN 0.035 nan 8.290 nan 0.000 0.507 492 G N 2.209 110.999 108.800 -0.016 0.000 2.273 492 G HA2 -0.256 3.704 3.960 0.000 0.000 0.280 492 G HA3 -0.256 3.704 3.960 0.000 0.000 0.280 492 G C -0.142 174.746 174.900 -0.019 0.000 1.047 492 G CA -0.056 45.035 45.100 -0.014 0.000 0.869 492 G HN 0.532 nan 8.290 nan 0.000 0.502 493 I N 0.561 121.117 120.570 -0.023 0.000 2.371 493 I HA 0.560 4.730 4.170 0.000 0.000 0.282 493 I C 0.136 176.246 176.117 -0.012 0.000 1.031 493 I CA -0.948 60.337 61.300 -0.025 0.000 1.180 493 I CB 0.790 38.764 38.000 -0.044 0.000 1.336 493 I HN 0.235 nan 8.210 nan 0.000 0.467 494 L N 3.549 124.769 121.223 -0.005 0.000 2.469 494 L HA 0.770 5.110 4.340 0.000 0.000 0.256 494 L C -1.293 175.581 176.870 0.007 0.000 1.006 494 L CA -0.773 54.069 54.840 0.003 0.000 0.832 494 L CB 1.456 43.519 42.059 0.005 0.000 1.421 494 L HN 0.094 nan 8.230 nan 0.000 0.410 495 D N 0.006 120.414 120.400 0.012 0.000 2.340 495 D HA 0.515 5.155 4.640 0.000 0.000 0.240 495 D C -2.742 173.569 176.300 0.018 0.000 1.001 495 D CA -1.386 52.623 54.000 0.016 0.000 0.888 495 D CB 2.085 42.896 40.800 0.019 0.000 1.310 495 D HN 0.384 nan 8.370 nan 0.000 0.474 496 P HA 0.074 nan 4.420 nan 0.000 0.271 496 P C 0.831 178.143 177.300 0.020 0.000 1.233 496 P CA -0.002 63.110 63.100 0.020 0.000 0.764 496 P CB 0.394 32.108 31.700 0.024 0.000 0.825 497 T N 2.767 117.331 114.554 0.017 0.000 2.684 497 T HA -0.298 4.052 4.350 0.000 0.000 0.267 497 T C 1.583 176.293 174.700 0.017 0.000 1.032 497 T CA 1.879 63.989 62.100 0.016 0.000 1.155 497 T CB -0.460 68.415 68.868 0.013 0.000 0.857 497 T HN 0.500 nan 8.240 nan 0.000 0.457 498 K N 0.748 121.158 120.400 0.018 0.000 2.152 498 K HA -0.095 4.225 4.320 0.000 0.000 0.206 498 K C 2.405 179.024 176.600 0.032 0.000 1.048 498 K CA 1.437 57.736 56.287 0.020 0.000 0.933 498 K CB -0.297 32.214 32.500 0.019 0.000 0.721 498 K HN 0.375 nan 8.250 nan 0.000 0.447 499 V N -0.374 119.560 119.914 0.034 0.000 2.591 499 V HA -0.115 4.005 4.120 0.000 0.000 0.249 499 V C 1.620 177.739 176.094 0.043 0.000 1.053 499 V CA 2.181 64.507 62.300 0.043 0.000 1.068 499 V CB -0.361 31.487 31.823 0.042 0.000 0.689 499 V HN 0.319 nan 8.190 nan 0.000 0.462 500 T N 0.609 115.182 114.554 0.032 0.000 2.812 500 T HA -0.097 4.253 4.350 0.000 0.000 0.264 500 T C 1.918 176.632 174.700 0.025 0.000 1.042 500 T CA 1.870 63.988 62.100 0.029 0.000 1.140 500 T CB -0.321 68.561 68.868 0.023 0.000 0.870 500 T HN 0.630 nan 8.240 nan 0.000 0.445 501 R N 1.166 121.676 120.500 0.016 0.000 2.070 501 R HA -0.102 4.238 4.340 0.000 0.000 0.233 501 R C 2.501 178.796 176.300 -0.008 0.000 1.137 501 R CA 1.936 58.035 56.100 -0.001 0.000 0.945 501 R CB -0.454 29.841 30.300 -0.008 0.000 0.845 501 R HN 0.227 nan 8.270 nan 0.000 0.430 502 S N 0.774 116.486 115.700 0.020 0.000 2.359 502 S HA -0.177 4.293 4.470 0.000 0.000 0.224 502 S C 2.092 176.775 174.600 0.137 0.000 1.035 502 S CA 1.261 59.498 58.200 0.062 0.000 1.018 502 S CB -0.434 62.870 63.200 0.173 0.000 0.876 502 S HN 0.598 nan 8.310 nan 0.000 0.448 503 A N 1.700 124.590 122.820 0.116 0.000 1.873 503 A HA -0.091 4.230 4.320 0.000 0.000 0.218 503 A C 2.141 179.777 177.584 0.087 0.000 1.193 503 A CA 1.396 53.502 52.037 0.114 0.000 0.629 503 A CB -0.899 18.143 19.000 0.071 0.000 0.826 503 A HN 0.449 nan 8.150 nan 0.000 0.447 504 L N -0.878 120.370 121.223 0.042 0.000 2.017 504 L HA -0.260 4.080 4.340 0.000 0.000 0.208 504 L C 2.848 179.717 176.870 -0.002 0.000 1.073 504 L CA 2.179 57.032 54.840 0.020 0.000 0.745 504 L CB -0.585 41.477 42.059 0.004 0.000 0.894 504 L HN 0.558 nan 8.230 nan 0.000 0.432 505 Q N -1.342 118.423 119.800 -0.058 0.000 2.050 505 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 505 Q C 2.048 177.970 176.000 -0.130 0.000 0.980 505 Q CA 1.923 57.641 55.803 -0.143 0.000 0.840 505 Q CB -0.226 28.351 28.738 -0.268 0.000 0.898 505 Q HN 0.455 nan 8.270 nan 0.000 0.424 506 Y N 0.168 120.470 120.300 0.004 0.000 2.181 506 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 506 Y C 2.371 178.274 175.900 0.005 0.000 1.146 506 Y CA 1.065 59.167 58.100 0.003 0.000 1.164 506 Y CB -0.724 37.738 38.460 0.003 0.000 0.982 506 Y HN 0.151 nan 8.280 nan 0.000 0.515 507 A N 0.032 122.941 122.820 0.147 0.000 1.902 507 A HA -0.143 4.178 4.320 0.000 0.000 0.217 507 A C 2.465 180.084 177.584 0.058 0.000 1.181 507 A CA 1.919 54.008 52.037 0.088 0.000 0.623 507 A CB -1.268 17.770 19.000 0.063 0.000 0.818 507 A HN 0.397 nan 8.150 nan 0.000 0.443 508 A N -0.907 121.935 122.820 0.037 0.000 1.972 508 A HA -0.074 4.247 4.320 0.000 0.000 0.219 508 A C 2.422 180.020 177.584 0.023 0.000 1.169 508 A CA 2.100 54.149 52.037 0.020 0.000 0.635 508 A CB -0.829 18.172 19.000 0.000 0.000 0.810 508 A HN 0.550 nan 8.150 nan 0.000 0.446 509 S N -0.238 115.482 115.700 0.034 0.000 2.344 509 S HA -0.159 4.312 4.470 0.000 0.000 0.217 509 S C 2.061 176.693 174.600 0.053 0.000 1.033 509 S CA 2.215 60.441 58.200 0.044 0.000 1.017 509 S CB -0.850 62.395 63.200 0.075 0.000 0.941 509 S HN 0.765 nan 8.310 nan 0.000 0.430 510 V N 1.681 121.636 119.914 0.069 0.000 2.287 510 V HA -0.068 4.053 4.120 0.000 0.000 0.248 510 V C 2.755 178.870 176.094 0.036 0.000 1.053 510 V CA 1.780 64.110 62.300 0.049 0.000 1.027 510 V CB -1.971 29.879 31.823 0.045 0.000 0.646 510 V HN 0.563 nan 8.190 nan 0.000 0.447 511 A N 1.433 124.274 122.820 0.035 0.000 1.948 511 A HA -0.071 4.249 4.320 0.000 0.000 0.220 511 A C 2.384 179.981 177.584 0.022 0.000 1.177 511 A CA 2.323 54.376 52.037 0.026 0.000 0.636 511 A CB -1.444 17.570 19.000 0.024 0.000 0.815 511 A HN 0.673 nan 8.150 nan 0.000 0.449 512 G N -0.421 108.391 108.800 0.021 0.000 2.394 512 G HA2 -0.095 3.866 3.960 0.000 0.000 0.214 512 G HA3 -0.095 3.866 3.960 0.000 0.000 0.214 512 G C 1.525 176.436 174.900 0.018 0.000 1.176 512 G CA 0.868 45.978 45.100 0.017 0.000 0.786 512 G HN 0.430 nan 8.290 nan 0.000 0.533 513 L N -0.219 121.017 121.223 0.022 0.000 2.127 513 L HA -0.029 4.311 4.340 0.000 0.000 0.211 513 L C 2.827 179.709 176.870 0.020 0.000 1.089 513 L CA 1.299 56.152 54.840 0.021 0.000 0.757 513 L CB -0.228 41.845 42.059 0.024 0.000 0.899 513 L HN 0.327 nan 8.230 nan 0.000 0.434 514 M N -0.324 119.289 119.600 0.021 0.000 2.248 514 M HA -0.092 4.388 4.480 0.000 0.000 0.265 514 M C 2.202 178.513 176.300 0.018 0.000 1.079 514 M CA 1.435 56.747 55.300 0.020 0.000 1.150 514 M CB 0.089 32.702 32.600 0.021 0.000 1.366 514 M HN 0.054 nan 8.290 nan 0.000 0.433 515 I N 0.584 121.165 120.570 0.017 0.000 2.399 515 I HA -0.245 3.925 4.170 0.000 0.000 0.254 515 I C 0.997 177.123 176.117 0.016 0.000 1.146 515 I CA 1.621 62.930 61.300 0.015 0.000 1.412 515 I CB -0.498 37.510 38.000 0.014 0.000 1.076 515 I HN 0.479 nan 8.210 nan 0.000 0.432 516 T N -3.420 111.144 114.554 0.017 0.000 3.269 516 T HA 0.208 4.558 4.350 0.000 0.000 0.269 516 T C 0.345 175.057 174.700 0.020 0.000 0.993 516 T CA -0.369 61.742 62.100 0.018 0.000 0.909 516 T CB -0.204 68.674 68.868 0.017 0.000 1.115 516 T HN -0.095 nan 8.240 nan 0.000 0.543 517 T N 2.232 116.798 114.554 0.019 0.000 2.767 517 T HA 0.325 4.675 4.350 0.000 0.000 0.288 517 T C 0.602 175.316 174.700 0.023 0.000 0.963 517 T CA -0.511 61.600 62.100 0.018 0.000 1.019 517 T CB 1.572 70.448 68.868 0.013 0.000 0.923 517 T HN 0.079 nan 8.240 nan 0.000 0.468 518 E N 0.679 120.899 120.200 0.033 0.000 2.460 518 E HA 0.169 4.519 4.350 0.000 0.000 0.200 518 E C 0.144 176.765 176.600 0.034 0.000 1.011 518 E CA 0.110 56.550 56.400 0.066 0.000 0.912 518 E CB 0.551 30.323 29.700 0.121 0.000 0.953 518 E HN 0.557 nan 8.360 nan 0.000 0.494 519 C N 0.368 119.632 119.300 -0.060 0.000 2.880 519 C HA 0.675 5.135 4.460 0.000 0.000 0.320 519 C C -1.281 173.611 174.990 -0.163 0.000 1.176 519 C CA -0.649 58.215 59.018 -0.256 0.000 1.390 519 C CB 0.468 28.032 27.740 -0.293 0.000 1.846 519 C HN 0.116 nan 8.230 nan 0.000 0.478 520 M N 4.711 124.206 119.600 -0.175 0.000 2.395 520 M HA 0.643 5.123 4.480 0.000 0.000 0.307 520 M C -1.144 175.202 176.300 0.076 0.000 1.091 520 M CA -0.593 54.722 55.300 0.025 0.000 0.919 520 M CB 2.209 34.931 32.600 0.202 0.000 1.662 520 M HN 0.407 nan 8.290 nan 0.000 0.440 521 V N 1.093 121.036 119.914 0.048 0.000 2.588 521 V HA 0.808 4.928 4.120 0.000 0.000 0.304 521 V C -0.386 175.674 176.094 -0.056 0.000 1.042 521 V CA -0.395 61.914 62.300 0.014 0.000 0.877 521 V CB 2.112 33.923 31.823 -0.022 0.000 0.996 521 V HN 0.959 nan 8.190 nan 0.000 0.425 522 T N 1.727 116.203 114.554 -0.129 0.000 2.762 522 T HA 0.386 4.736 4.350 0.000 0.000 0.301 522 T C -1.660 172.938 174.700 -0.171 0.000 1.299 522 T CA -0.561 61.402 62.100 -0.228 0.000 1.005 522 T CB 1.938 70.517 68.868 -0.481 0.000 1.377 522 T HN 0.624 nan 8.240 nan 0.000 0.504 523 D N 1.642 121.952 120.400 -0.150 0.000 2.372 523 D HA 0.318 4.958 4.640 0.000 0.000 0.243 523 D C 0.182 176.424 176.300 -0.097 0.000 1.121 523 D CA -0.014 53.928 54.000 -0.095 0.000 0.898 523 D CB 0.525 41.281 40.800 -0.075 0.000 1.202 523 D HN 0.416 nan 8.370 nan 0.000 0.428 524 L N 3.627 124.822 121.223 -0.046 0.000 2.455 524 L HA 0.125 4.465 4.340 0.000 0.000 0.272 524 L C -1.207 175.644 176.870 -0.031 0.000 1.174 524 L CA -1.294 53.531 54.840 -0.025 0.000 0.869 524 L CB 0.005 42.064 42.059 0.000 0.000 1.130 524 L HN 0.308 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 525 P CB 0.000 31.693 31.700 -0.011 0.000 0.726