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 2c7d_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL 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 TDLPK 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 0.000 177.583 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 3 A N 2.698 125.521 122.820 0.004 0.000 2.332 3 A HA 0.760 5.081 4.320 0.003 0.000 0.258 3 A C 0.141 177.732 177.584 0.013 0.000 1.087 3 A CA -0.092 51.952 52.037 0.011 0.000 0.802 3 A CB 0.387 19.396 19.000 0.016 0.000 1.042 3 A HN 0.624 nan 8.150 nan 0.000 0.489 4 K N 0.868 121.282 120.400 0.024 0.000 2.395 4 K HA 0.405 4.727 4.320 0.003 0.000 0.247 4 K C -1.187 175.456 176.600 0.072 0.000 0.973 4 K CA -0.748 55.558 56.287 0.032 0.000 0.828 4 K CB 1.736 34.251 32.500 0.026 0.000 1.272 4 K HN 0.770 nan 8.250 nan 0.000 0.439 5 D N 1.024 121.491 120.400 0.112 0.000 2.283 5 D HA 0.432 5.074 4.640 0.003 0.000 0.248 5 D C -1.014 175.474 176.300 0.313 0.000 1.072 5 D CA -0.428 53.706 54.000 0.223 0.000 0.929 5 D CB 1.191 42.191 40.800 0.334 0.000 1.182 5 D HN 0.254 nan 8.370 nan 0.000 0.433 6 V N -0.683 119.408 119.914 0.296 0.000 2.777 6 V HA 0.676 4.798 4.120 0.003 0.000 0.306 6 V C -1.046 175.132 176.094 0.140 0.000 1.112 6 V CA -0.862 61.572 62.300 0.224 0.000 0.917 6 V CB 1.735 33.631 31.823 0.121 0.000 1.018 6 V HN 0.490 nan 8.190 nan 0.000 0.426 7 K N 3.848 124.291 120.400 0.071 0.000 2.498 7 K HA 0.718 5.040 4.320 0.003 0.000 0.254 7 K C -1.837 174.756 176.600 -0.012 0.000 0.933 7 K CA -0.406 55.867 56.287 -0.023 0.000 0.806 7 K CB 2.815 35.049 32.500 -0.443 0.000 1.301 7 K HN 0.602 nan 8.250 nan 0.000 0.432 8 F N 0.203 120.130 119.950 -0.037 0.000 2.497 8 F HA 0.439 4.968 4.527 0.002 0.000 0.331 8 F C 1.536 177.325 175.800 -0.019 0.000 1.060 8 F CA 0.689 58.683 58.000 -0.010 0.000 0.989 8 F CB 1.528 40.523 39.000 -0.010 0.000 1.245 8 F HN 0.844 nan 8.300 nan 0.000 0.486 9 G N 1.841 110.761 108.800 0.200 0.000 2.774 9 G HA2 -0.543 3.419 3.960 0.003 0.000 0.342 9 G HA3 -0.543 3.419 3.960 0.003 0.000 0.342 9 G C 1.247 176.188 174.900 0.069 0.000 1.185 9 G CA 1.426 46.601 45.100 0.125 0.000 0.956 9 G HN 0.814 nan 8.290 nan 0.000 0.561 10 N N 1.085 119.815 118.700 0.050 0.000 2.006 10 N HA -0.064 4.678 4.740 0.003 0.000 0.196 10 N C 1.864 177.379 175.510 0.008 0.000 1.057 10 N CA 2.605 55.668 53.050 0.022 0.000 0.853 10 N CB -0.490 38.002 38.487 0.010 0.000 1.051 10 N HN 0.558 nan 8.380 nan 0.000 0.423 11 D N -0.092 120.302 120.400 -0.010 0.000 2.158 11 D HA -0.121 4.521 4.640 0.003 0.000 0.197 11 D C 1.835 178.086 176.300 -0.082 0.000 0.995 11 D CA 1.463 55.424 54.000 -0.066 0.000 0.846 11 D CB -0.607 40.129 40.800 -0.106 0.000 0.941 11 D HN 0.494 nan 8.370 nan 0.000 0.456 12 A N 0.972 123.774 122.820 -0.031 0.000 1.834 12 A HA -0.216 4.106 4.320 0.003 0.000 0.216 12 A C 2.152 179.765 177.584 0.049 0.000 1.203 12 A CA 1.709 53.762 52.037 0.028 0.000 0.621 12 A CB -0.639 18.388 19.000 0.044 0.000 0.841 12 A HN 0.101 nan 8.150 nan 0.000 0.446 13 R N -0.845 119.678 120.500 0.039 0.000 2.120 13 R HA -0.063 4.279 4.340 0.003 0.000 0.234 13 R C 2.034 178.354 176.300 0.032 0.000 1.123 13 R CA 1.259 57.382 56.100 0.037 0.000 0.975 13 R CB -0.537 29.782 30.300 0.032 0.000 0.866 13 R HN 0.410 nan 8.270 nan 0.000 0.446 14 V N 1.380 121.307 119.914 0.022 0.000 2.261 14 V HA -0.246 3.876 4.120 0.003 0.000 0.246 14 V C 2.265 178.376 176.094 0.028 0.000 1.047 14 V CA 1.654 63.965 62.300 0.017 0.000 1.015 14 V CB -0.313 31.512 31.823 0.003 0.000 0.642 14 V HN 0.221 nan 8.190 nan 0.000 0.446 15 K N -0.620 119.802 120.400 0.035 0.000 2.097 15 K HA -0.090 4.232 4.320 0.003 0.000 0.205 15 K C 2.103 178.759 176.600 0.094 0.000 1.050 15 K CA 1.464 57.794 56.287 0.073 0.000 0.938 15 K CB -0.458 32.104 32.500 0.104 0.000 0.718 15 K HN 0.442 nan 8.250 nan 0.000 0.442 16 M N 0.671 120.327 119.600 0.093 0.000 2.065 16 M HA -0.222 4.260 4.480 0.003 0.000 0.259 16 M C 2.122 178.451 176.300 0.049 0.000 1.069 16 M CA 1.470 56.815 55.300 0.074 0.000 1.110 16 M CB -0.137 32.503 32.600 0.067 0.000 1.328 16 M HN 0.063 nan 8.290 nan 0.000 0.405 17 L N 0.504 121.751 121.223 0.041 0.000 2.046 17 L HA -0.178 4.164 4.340 0.003 0.000 0.208 17 L C 2.332 179.220 176.870 0.030 0.000 1.077 17 L CA 1.853 56.712 54.840 0.031 0.000 0.747 17 L CB -0.691 41.383 42.059 0.026 0.000 0.896 17 L HN 0.257 nan 8.230 nan 0.000 0.432 18 R N -0.658 119.862 120.500 0.033 0.000 2.096 18 R HA -0.155 4.187 4.340 0.003 0.000 0.240 18 R C 2.191 178.510 176.300 0.032 0.000 1.139 18 R CA 1.353 57.472 56.100 0.031 0.000 0.952 18 R CB -1.064 29.256 30.300 0.034 0.000 0.854 18 R HN 0.595 nan 8.270 nan 0.000 0.436 19 G N 0.330 109.153 108.800 0.039 0.000 2.421 19 G HA2 -0.225 3.737 3.960 0.003 0.000 0.216 19 G HA3 -0.225 3.737 3.960 0.003 0.000 0.216 19 G C 1.477 176.391 174.900 0.024 0.000 1.171 19 G CA 0.779 45.899 45.100 0.033 0.000 0.775 19 G HN 0.144 nan 8.290 nan 0.000 0.543 20 V N 1.395 121.324 119.914 0.025 0.000 2.332 20 V HA -0.272 3.850 4.120 0.003 0.000 0.248 20 V C 2.557 178.662 176.094 0.019 0.000 1.055 20 V CA 2.215 64.528 62.300 0.021 0.000 1.038 20 V CB -0.740 31.096 31.823 0.022 0.000 0.651 20 V HN 0.481 nan 8.190 nan 0.000 0.450 21 N N -0.168 118.544 118.700 0.020 0.000 2.058 21 N HA -0.160 4.582 4.740 0.003 0.000 0.191 21 N C 1.813 177.333 175.510 0.016 0.000 1.037 21 N CA 1.404 54.465 53.050 0.018 0.000 0.848 21 N CB -0.255 38.243 38.487 0.018 0.000 1.021 21 N HN 0.288 nan 8.380 nan 0.000 0.422 22 V N 2.251 122.175 119.914 0.017 0.000 2.324 22 V HA -0.210 3.912 4.120 0.003 0.000 0.250 22 V C 2.232 178.333 176.094 0.012 0.000 1.060 22 V CA 1.310 63.618 62.300 0.014 0.000 1.042 22 V CB -0.523 31.309 31.823 0.016 0.000 0.650 22 V HN 0.406 nan 8.190 nan 0.000 0.450 23 L N 0.315 121.546 121.223 0.012 0.000 2.007 23 L HA -0.051 4.290 4.340 0.003 0.000 0.205 23 L C 2.456 179.333 176.870 0.012 0.000 1.073 23 L CA 2.736 57.583 54.840 0.011 0.000 0.744 23 L CB -1.227 40.838 42.059 0.010 0.000 0.898 23 L HN 0.326 nan 8.230 nan 0.000 0.435 24 A N -0.797 122.032 122.820 0.015 0.000 1.968 24 A HA -0.175 4.147 4.320 0.003 0.000 0.217 24 A C 1.811 179.404 177.584 0.015 0.000 1.169 24 A CA 1.439 53.485 52.037 0.016 0.000 0.638 24 A CB -0.510 18.500 19.000 0.018 0.000 0.812 24 A HN 0.496 nan 8.150 nan 0.000 0.446 25 D N -0.253 120.155 120.400 0.014 0.000 2.224 25 D HA 0.120 4.762 4.640 0.003 0.000 0.205 25 D C 2.112 178.419 176.300 0.011 0.000 0.965 25 D CA 1.095 55.103 54.000 0.012 0.000 0.852 25 D CB -0.064 40.743 40.800 0.012 0.000 0.947 25 D HN 0.400 nan 8.370 nan 0.000 0.494 26 A N 0.059 122.885 122.820 0.010 0.000 1.840 26 A HA -0.098 4.224 4.320 0.003 0.000 0.214 26 A C 2.366 179.956 177.584 0.009 0.000 1.198 26 A CA 0.969 53.011 52.037 0.008 0.000 0.608 26 A CB -0.840 18.164 19.000 0.007 0.000 0.839 26 A HN 0.110 nan 8.150 nan 0.000 0.443 27 V N 0.429 120.350 119.914 0.011 0.000 2.453 27 V HA -0.304 3.818 4.120 0.003 0.000 0.252 27 V C 2.419 178.522 176.094 0.013 0.000 1.068 27 V CA 2.348 64.655 62.300 0.012 0.000 1.070 27 V CB -0.769 31.063 31.823 0.015 0.000 0.664 27 V HN 0.553 nan 8.190 nan 0.000 0.461 28 K N 0.114 120.522 120.400 0.013 0.000 2.173 28 K HA -0.188 4.134 4.320 0.003 0.000 0.207 28 K C 1.741 178.348 176.600 0.012 0.000 1.046 28 K CA 1.783 58.078 56.287 0.014 0.000 0.929 28 K CB -0.342 32.166 32.500 0.013 0.000 0.720 28 K HN 0.616 nan 8.250 nan 0.000 0.453 29 V N -0.960 118.960 119.914 0.010 0.000 3.590 29 V HA -0.022 4.100 4.120 0.003 0.000 0.272 29 V C 1.222 177.320 176.094 0.008 0.000 1.233 29 V CA 1.552 63.857 62.300 0.009 0.000 1.182 29 V CB -0.756 31.072 31.823 0.007 0.000 0.901 29 V HN 0.340 nan 8.190 nan 0.000 0.485 30 T N -3.076 111.484 114.554 0.009 0.000 3.040 30 T HA 0.360 4.712 4.350 0.003 0.000 0.266 30 T C 0.273 174.977 174.700 0.007 0.000 1.005 30 T CA -0.177 61.927 62.100 0.007 0.000 0.906 30 T CB 0.195 69.068 68.868 0.008 0.000 1.082 30 T HN 0.329 nan 8.240 nan 0.000 0.531 31 L N 2.815 124.043 121.223 0.009 0.000 2.360 31 L HA 0.620 4.962 4.340 0.003 0.000 0.276 31 L C 0.819 177.692 176.870 0.005 0.000 1.121 31 L CA 1.649 56.495 54.840 0.009 0.000 0.845 31 L CB -0.138 41.929 42.059 0.012 0.000 1.143 31 L HN 0.694 nan 8.230 nan 0.000 0.452 32 G N 4.660 113.460 108.800 0.001 0.000 2.660 32 G HA2 -0.169 3.793 3.960 0.003 0.000 0.247 32 G HA3 -0.169 3.793 3.960 0.003 0.000 0.247 32 G C -2.292 172.600 174.900 -0.014 0.000 1.328 32 G CA -0.252 44.844 45.100 -0.007 0.000 0.884 32 G HN 0.520 nan 8.290 nan 0.000 0.531 33 P HA 0.031 nan 4.420 nan 0.000 0.217 33 P C 1.118 178.402 177.300 -0.025 0.000 1.154 33 P CA 1.521 64.601 63.100 -0.033 0.000 0.841 33 P CB 0.003 31.670 31.700 -0.055 0.000 0.788 34 K N 0.264 120.653 120.400 -0.020 0.000 2.476 34 K HA 0.217 4.539 4.320 0.003 0.000 0.196 34 K C 1.198 177.796 176.600 -0.003 0.000 1.025 34 K CA -0.213 56.068 56.287 -0.010 0.000 1.138 34 K CB -0.133 32.365 32.500 -0.005 0.000 0.860 34 K HN 0.087 nan 8.250 nan 0.000 0.515 35 G N 1.597 110.394 108.800 -0.004 0.000 2.441 35 G HA2 0.083 4.045 3.960 0.003 0.000 0.243 35 G HA3 0.083 4.045 3.960 0.003 0.000 0.243 35 G C -0.128 174.772 174.900 -0.000 0.000 1.281 35 G CA -0.363 44.737 45.100 0.000 0.000 0.854 35 G HN 0.203 nan 8.290 nan 0.000 0.560 36 R N 0.809 121.311 120.500 0.002 0.000 2.867 36 R HA 0.428 4.770 4.340 0.003 0.000 0.227 36 R C -0.676 175.625 176.300 0.002 0.000 1.372 36 R CA -0.979 55.122 56.100 0.001 0.000 1.083 36 R CB 0.735 31.036 30.300 0.002 0.000 1.596 36 R HN 0.458 nan 8.270 nan 0.000 0.522 37 N N -0.599 118.102 118.700 0.001 0.000 2.362 37 N HA 0.423 5.165 4.740 0.003 0.000 0.299 37 N C -1.253 174.258 175.510 0.001 0.000 1.170 37 N CA -0.666 52.385 53.050 0.001 0.000 0.825 37 N CB 2.013 40.500 38.487 -0.000 0.000 1.299 37 N HN 0.149 nan 8.380 nan 0.000 0.502 38 V N 0.717 120.632 119.914 0.001 0.000 2.581 38 V HA 0.526 4.648 4.120 0.003 0.000 0.303 38 V C -0.171 175.922 176.094 -0.001 0.000 1.041 38 V CA -0.811 61.489 62.300 0.000 0.000 0.907 38 V CB 1.917 33.741 31.823 0.002 0.000 0.994 38 V HN 0.314 nan 8.190 nan 0.000 0.442 39 V N 5.412 125.324 119.914 -0.004 0.000 2.483 39 V HA 0.545 4.667 4.120 0.003 0.000 0.295 39 V C -0.210 175.879 176.094 -0.009 0.000 1.035 39 V CA -0.489 61.807 62.300 -0.006 0.000 0.896 39 V CB 1.591 33.409 31.823 -0.008 0.000 0.986 39 V HN 0.620 nan 8.190 nan 0.000 0.447 40 L N 3.354 124.571 121.223 -0.011 0.000 2.333 40 L HA 0.789 5.131 4.340 0.003 0.000 0.269 40 L C -0.913 175.944 176.870 -0.022 0.000 1.010 40 L CA -0.402 54.429 54.840 -0.016 0.000 0.818 40 L CB 2.167 44.219 42.059 -0.011 0.000 1.306 40 L HN 0.643 nan 8.230 nan 0.000 0.430 41 D N 0.716 121.095 120.400 -0.034 0.000 2.655 41 D HA 0.447 5.089 4.640 0.003 0.000 0.229 41 D C -1.606 174.648 176.300 -0.076 0.000 1.229 41 D CA -0.563 53.408 54.000 -0.048 0.000 0.807 41 D CB 2.141 42.912 40.800 -0.048 0.000 1.514 41 D HN 0.314 nan 8.370 nan 0.000 0.444 42 K N 0.771 121.110 120.400 -0.101 0.000 2.468 42 K HA 0.337 4.659 4.320 0.003 0.000 0.252 42 K C 0.717 177.152 176.600 -0.275 0.000 0.932 42 K CA -0.671 55.505 56.287 -0.186 0.000 0.794 42 K CB 1.901 34.327 32.500 -0.123 0.000 1.241 42 K HN 0.389 nan 8.250 nan 0.000 0.428 43 S N 1.111 116.516 115.700 -0.491 0.000 2.442 43 S HA -0.129 4.343 4.470 0.003 0.000 0.236 43 S C 1.259 175.655 174.600 -0.339 0.000 1.007 43 S CA 0.987 58.918 58.200 -0.448 0.000 0.965 43 S CB -0.401 62.487 63.200 -0.520 0.000 0.773 43 S HN 0.527 nan 8.310 nan 0.000 0.504 44 F N 2.145 122.093 119.950 -0.004 0.000 2.811 44 F HA 0.498 5.027 4.527 0.002 0.000 0.301 44 F C 1.596 177.394 175.800 -0.004 0.000 1.151 44 F CA -0.701 57.297 58.000 -0.004 0.000 1.412 44 F CB -0.805 38.192 39.000 -0.005 0.000 1.113 44 F HN 0.407 nan 8.300 nan 0.000 0.579 45 G N -0.900 107.939 108.800 0.065 0.000 3.253 45 G HA2 0.768 4.730 3.960 0.003 0.000 0.175 45 G HA3 0.768 4.730 3.960 0.003 0.000 0.175 45 G C -1.477 173.424 174.900 0.002 0.000 1.098 45 G CA -0.060 45.064 45.100 0.041 0.000 0.790 45 G HN 0.295 nan 8.290 nan 0.000 0.648 46 A N -0.932 121.886 122.820 -0.003 0.000 2.609 46 A HA 0.868 5.190 4.320 0.003 0.000 0.291 46 A C -3.034 174.542 177.584 -0.013 0.000 1.096 46 A CA -0.990 51.040 52.037 -0.011 0.000 0.684 46 A CB 0.859 19.857 19.000 -0.003 0.000 1.282 46 A HN 0.409 nan 8.150 nan 0.000 0.412 47 P HA 0.383 nan 4.420 nan 0.000 0.269 47 P C -0.514 176.781 177.300 -0.008 0.000 1.217 47 P CA 0.413 63.504 63.100 -0.015 0.000 0.783 47 P CB 0.524 32.216 31.700 -0.014 0.000 0.898 48 T N 1.778 116.328 114.554 -0.007 0.000 2.991 48 T HA 0.494 4.845 4.350 0.003 0.000 0.303 48 T C -0.270 174.428 174.700 -0.003 0.000 1.015 48 T CA -0.289 61.809 62.100 -0.003 0.000 1.007 48 T CB 0.497 69.365 68.868 -0.000 0.000 1.034 48 T HN 0.061 nan 8.240 nan 0.000 0.446 49 I N 2.501 123.070 120.570 -0.002 0.000 2.353 49 I HA 0.575 4.747 4.170 0.003 0.000 0.293 49 I C 0.654 176.771 176.117 0.000 0.000 0.992 49 I CA -0.129 61.170 61.300 -0.002 0.000 1.268 49 I CB 1.697 39.696 38.000 -0.002 0.000 1.387 49 I HN 0.510 nan 8.210 nan 0.000 0.478 50 T N 4.404 118.959 114.554 0.001 0.000 2.909 50 T HA 0.358 4.710 4.350 0.003 0.000 0.299 50 T C 0.290 174.993 174.700 0.004 0.000 1.073 50 T CA -0.625 61.477 62.100 0.004 0.000 0.999 50 T CB 1.300 70.172 68.868 0.006 0.000 1.098 50 T HN 0.740 nan 8.240 nan 0.000 0.477 51 K N 1.885 122.288 120.400 0.006 0.000 2.354 51 K HA 0.173 4.495 4.320 0.003 0.000 0.194 51 K C 0.133 176.739 176.600 0.010 0.000 1.038 51 K CA -0.112 56.179 56.287 0.006 0.000 1.052 51 K CB 0.269 32.771 32.500 0.004 0.000 0.861 51 K HN 0.670 nan 8.250 nan 0.000 0.535 52 D N -1.079 119.329 120.400 0.013 0.000 2.345 52 D HA 0.073 4.715 4.640 0.003 0.000 0.247 52 D C 1.011 177.320 176.300 0.016 0.000 1.108 52 D CA 0.073 54.084 54.000 0.018 0.000 0.894 52 D CB 1.554 42.368 40.800 0.022 0.000 1.203 52 D HN 0.123 nan 8.370 nan 0.000 0.430 53 G N 2.027 110.838 108.800 0.018 0.000 2.453 53 G HA2 -0.138 3.824 3.960 0.003 0.000 0.215 53 G HA3 -0.138 3.824 3.960 0.003 0.000 0.215 53 G C 1.423 176.332 174.900 0.015 0.000 1.147 53 G CA 0.373 45.483 45.100 0.016 0.000 0.802 53 G HN 0.467 nan 8.290 nan 0.000 0.535 54 V N 1.149 121.074 119.914 0.018 0.000 2.427 54 V HA -0.124 3.998 4.120 0.003 0.000 0.248 54 V C 2.846 178.947 176.094 0.012 0.000 1.051 54 V CA 2.541 64.850 62.300 0.015 0.000 1.048 54 V CB -0.239 31.595 31.823 0.018 0.000 0.666 54 V HN 0.331 nan 8.190 nan 0.000 0.456 55 S N -0.558 115.150 115.700 0.014 0.000 2.447 55 S HA -0.105 4.367 4.470 0.003 0.000 0.233 55 S C 1.675 176.279 174.600 0.008 0.000 1.006 55 S CA 1.434 59.641 58.200 0.012 0.000 0.957 55 S CB 0.147 63.355 63.200 0.013 0.000 0.773 55 S HN 0.523 nan 8.310 nan 0.000 0.507 56 V N 1.359 121.277 119.914 0.007 0.000 2.436 56 V HA 0.069 4.191 4.120 0.003 0.000 0.240 56 V C 2.637 178.733 176.094 0.003 0.000 1.040 56 V CA 1.191 63.493 62.300 0.004 0.000 1.052 56 V CB -1.249 30.577 31.823 0.004 0.000 0.707 56 V HN 0.470 nan 8.190 nan 0.000 0.469 57 A N 0.456 123.279 122.820 0.005 0.000 1.892 57 A HA -0.276 4.045 4.320 0.003 0.000 0.218 57 A C 2.326 179.911 177.584 0.001 0.000 1.188 57 A CA 2.168 54.207 52.037 0.004 0.000 0.631 57 A CB -0.608 18.396 19.000 0.007 0.000 0.822 57 A HN 0.491 nan 8.150 nan 0.000 0.447 58 R N -0.595 119.905 120.500 0.000 0.000 2.139 58 R HA -0.125 4.217 4.340 0.003 0.000 0.243 58 R C 1.524 177.823 176.300 -0.002 0.000 1.145 58 R CA 1.395 57.494 56.100 -0.002 0.000 0.976 58 R CB -0.150 30.149 30.300 -0.001 0.000 0.866 58 R HN 0.498 nan 8.270 nan 0.000 0.449 59 E N 0.083 120.283 120.200 -0.000 0.000 2.478 59 E HA 0.028 4.380 4.350 0.003 0.000 0.194 59 E C 0.170 176.768 176.600 -0.003 0.000 1.045 59 E CA 0.126 56.525 56.400 -0.000 0.000 0.868 59 E CB 0.329 30.029 29.700 -0.000 0.000 0.885 59 E HN 0.160 nan 8.360 nan 0.000 0.505 60 I N 1.846 122.414 120.570 -0.003 0.000 2.496 60 I HA 0.128 4.300 4.170 0.003 0.000 0.285 60 I C 0.422 176.535 176.117 -0.006 0.000 1.080 60 I CA 0.365 61.663 61.300 -0.004 0.000 1.404 60 I CB 0.391 38.390 38.000 -0.001 0.000 1.403 60 I HN -0.019 nan 8.210 nan 0.000 0.539 61 E N 6.061 126.257 120.200 -0.007 0.000 2.381 61 E HA 0.459 4.811 4.350 0.003 0.000 0.286 61 E C -2.103 174.492 176.600 -0.007 0.000 0.960 61 E CA -0.621 55.773 56.400 -0.010 0.000 0.793 61 E CB 1.905 31.599 29.700 -0.011 0.000 1.225 61 E HN 0.255 nan 8.360 nan 0.000 0.420 62 L N 2.892 124.110 121.223 -0.008 0.000 2.301 62 L HA 0.356 4.698 4.340 0.003 0.000 0.264 62 L C 1.376 178.247 176.870 0.000 0.000 1.016 62 L CA -0.253 54.587 54.840 -0.000 0.000 0.821 62 L CB 1.343 43.407 42.059 0.008 0.000 1.346 62 L HN 0.893 nan 8.230 nan 0.000 0.429 63 E N 0.238 120.444 120.200 0.009 0.000 2.047 63 E HA -0.152 4.200 4.350 0.003 0.000 0.191 63 E C 0.217 176.834 176.600 0.027 0.000 0.987 63 E CA 0.614 57.022 56.400 0.014 0.000 0.799 63 E CB 0.284 29.994 29.700 0.017 0.000 0.752 63 E HN 0.649 nan 8.360 nan 0.000 0.449 64 D N 0.586 121.011 120.400 0.043 0.000 2.358 64 D HA -0.052 4.590 4.640 0.003 0.000 0.258 64 D C 0.613 176.952 176.300 0.065 0.000 1.223 64 D CA -0.055 53.994 54.000 0.083 0.000 0.886 64 D CB 0.923 41.783 40.800 0.099 0.000 1.120 64 D HN 0.003 nan 8.370 nan 0.000 0.482 65 K N 3.547 123.976 120.400 0.049 0.000 2.211 65 K HA -0.108 4.214 4.320 0.003 0.000 0.203 65 K C 1.648 178.073 176.600 -0.291 0.000 1.050 65 K CA 0.933 57.126 56.287 -0.157 0.000 0.945 65 K CB -0.185 32.143 32.500 -0.287 0.000 0.732 65 K HN 0.513 nan 8.250 nan 0.000 0.451 66 F N 1.311 121.260 119.950 -0.002 0.000 2.387 66 F HA 0.063 4.591 4.527 0.002 0.000 0.294 66 F C 2.171 177.970 175.800 -0.002 0.000 1.093 66 F CA 0.455 58.453 58.000 -0.004 0.000 1.420 66 F CB -0.045 38.955 39.000 -0.001 0.000 1.086 66 F HN 0.037 nan 8.300 nan 0.000 0.531 67 E N 0.288 120.579 120.200 0.153 0.000 2.107 67 E HA -0.210 4.141 4.350 0.003 0.000 0.191 67 E C 1.723 178.341 176.600 0.031 0.000 0.982 67 E CA 1.128 57.575 56.400 0.079 0.000 0.809 67 E CB -0.280 29.462 29.700 0.070 0.000 0.756 67 E HN 0.312 nan 8.360 nan 0.000 0.459 68 N N 0.963 119.665 118.700 0.004 0.000 2.061 68 N HA -0.200 4.542 4.740 0.003 0.000 0.193 68 N C 1.789 177.274 175.510 -0.042 0.000 1.030 68 N CA 1.577 54.611 53.050 -0.027 0.000 0.856 68 N CB -0.035 38.422 38.487 -0.050 0.000 1.023 68 N HN 0.057 nan 8.380 nan 0.000 0.424 69 M N -0.610 118.948 119.600 -0.070 0.000 2.082 69 M HA -0.097 4.385 4.480 0.003 0.000 0.258 69 M C 2.222 178.509 176.300 -0.022 0.000 1.069 69 M CA 1.884 57.144 55.300 -0.067 0.000 1.102 69 M CB -0.735 31.805 32.600 -0.100 0.000 1.336 69 M HN 0.390 nan 8.290 nan 0.000 0.404 70 G N -0.257 108.547 108.800 0.006 0.000 2.433 70 G HA2 -0.158 3.804 3.960 0.003 0.000 0.216 70 G HA3 -0.158 3.804 3.960 0.003 0.000 0.216 70 G C 1.611 176.516 174.900 0.009 0.000 1.186 70 G CA 1.032 46.142 45.100 0.017 0.000 0.779 70 G HN 0.554 nan 8.290 nan 0.000 0.543 71 A N -0.009 122.814 122.820 0.006 0.000 1.902 71 A HA -0.085 4.237 4.320 0.003 0.000 0.217 71 A C 2.352 179.934 177.584 -0.004 0.000 1.181 71 A CA 1.889 53.928 52.037 0.003 0.000 0.623 71 A CB -0.391 18.610 19.000 0.003 0.000 0.818 71 A HN 0.369 nan 8.150 nan 0.000 0.443 72 Q N -1.019 118.773 119.800 -0.013 0.000 2.224 72 Q HA -0.098 4.244 4.340 0.003 0.000 0.203 72 Q C 2.131 178.121 176.000 -0.017 0.000 0.970 72 Q CA 1.339 57.130 55.803 -0.019 0.000 0.865 72 Q CB -0.258 28.462 28.738 -0.031 0.000 0.922 72 Q HN 0.774 nan 8.270 nan 0.000 0.445 73 M N 0.004 119.596 119.600 -0.012 0.000 2.098 73 M HA -0.123 4.359 4.480 0.003 0.000 0.262 73 M C 2.244 178.543 176.300 -0.002 0.000 1.072 73 M CA 1.210 56.505 55.300 -0.008 0.000 1.133 73 M CB -0.262 32.336 32.600 -0.004 0.000 1.344 73 M HN 0.065 nan 8.290 nan 0.000 0.414 74 V N -1.523 118.393 119.914 0.004 0.000 3.141 74 V HA -0.147 3.975 4.120 0.003 0.000 0.265 74 V C 2.000 178.098 176.094 0.007 0.000 1.126 74 V CA 1.411 63.717 62.300 0.011 0.000 1.141 74 V CB -1.312 30.520 31.823 0.016 0.000 0.743 74 V HN 0.463 nan 8.190 nan 0.000 0.492 75 K N 1.023 121.423 120.400 -0.001 0.000 2.103 75 K HA -0.288 4.034 4.320 0.003 0.000 0.207 75 K C 2.211 178.804 176.600 -0.012 0.000 1.048 75 K CA 2.130 58.414 56.287 -0.005 0.000 0.930 75 K CB -0.102 32.392 32.500 -0.010 0.000 0.716 75 K HN 0.717 nan 8.250 nan 0.000 0.444 76 E N 0.059 120.249 120.200 -0.018 0.000 2.028 76 E HA -0.162 4.190 4.350 0.003 0.000 0.191 76 E C 1.902 178.479 176.600 -0.038 0.000 0.988 76 E CA 1.148 57.526 56.400 -0.036 0.000 0.799 76 E CB -0.050 29.625 29.700 -0.041 0.000 0.755 76 E HN 0.190 nan 8.360 nan 0.000 0.447 77 V N 0.706 120.617 119.914 -0.005 0.000 2.392 77 V HA -0.245 3.877 4.120 0.003 0.000 0.249 77 V C 2.160 178.281 176.094 0.045 0.000 1.059 77 V CA 2.237 64.558 62.300 0.035 0.000 1.051 77 V CB -0.503 31.365 31.823 0.074 0.000 0.658 77 V HN 0.456 nan 8.190 nan 0.000 0.455 78 A N -1.080 121.756 122.820 0.027 0.000 1.933 78 A HA -0.196 4.126 4.320 0.003 0.000 0.218 78 A C 2.534 180.127 177.584 0.015 0.000 1.175 78 A CA 2.328 54.382 52.037 0.028 0.000 0.628 78 A CB -0.911 18.100 19.000 0.018 0.000 0.814 78 A HN 0.589 nan 8.150 nan 0.000 0.444 79 S N -1.100 114.594 115.700 -0.011 0.000 2.371 79 S HA -0.082 4.390 4.470 0.003 0.000 0.224 79 S C 2.123 176.687 174.600 -0.060 0.000 1.029 79 S CA 1.157 59.339 58.200 -0.030 0.000 0.978 79 S CB -0.235 62.940 63.200 -0.043 0.000 0.833 79 S HN 0.428 nan 8.310 nan 0.000 0.466 80 K N 1.287 121.613 120.400 -0.122 0.000 2.280 80 K HA 0.055 4.377 4.320 0.003 0.000 0.202 80 K C 2.024 178.529 176.600 -0.160 0.000 1.047 80 K CA 0.965 57.067 56.287 -0.310 0.000 0.942 80 K CB -0.567 31.564 32.500 -0.615 0.000 0.739 80 K HN 0.408 nan 8.250 nan 0.000 0.457 81 A N 1.632 124.515 122.820 0.106 0.000 1.841 81 A HA -0.196 4.125 4.320 0.003 0.000 0.214 81 A C 2.083 179.724 177.584 0.096 0.000 1.195 81 A CA 1.717 53.878 52.037 0.207 0.000 0.611 81 A CB -0.763 18.336 19.000 0.165 0.000 0.835 81 A HN 0.446 nan 8.150 nan 0.000 0.443 82 N N -0.144 118.582 118.700 0.043 0.000 2.069 82 N HA -0.184 4.558 4.740 0.003 0.000 0.191 82 N C 0.799 176.294 175.510 -0.025 0.000 1.031 82 N CA 1.660 54.720 53.050 0.018 0.000 0.852 82 N CB -0.320 38.177 38.487 0.017 0.000 1.018 82 N HN 0.438 nan 8.380 nan 0.000 0.423 83 D N -0.278 120.098 120.400 -0.040 0.000 2.378 83 D HA -0.038 4.604 4.640 0.003 0.000 0.222 83 D C 1.009 177.272 176.300 -0.061 0.000 0.980 83 D CA 0.412 54.374 54.000 -0.064 0.000 0.907 83 D CB 0.271 41.024 40.800 -0.079 0.000 0.899 83 D HN 0.429 nan 8.370 nan 0.000 0.527 84 A N -0.249 122.560 122.820 -0.019 0.000 2.138 84 A HA 0.549 4.871 4.320 0.003 0.000 0.203 84 A C 1.524 179.116 177.584 0.014 0.000 1.286 84 A CA 0.648 52.702 52.037 0.029 0.000 0.929 84 A CB 0.906 20.004 19.000 0.163 0.000 0.975 84 A HN 0.127 nan 8.150 nan 0.000 0.480 85 A N -2.620 120.202 122.820 0.004 0.000 2.709 85 A HA 0.484 4.806 4.320 0.003 0.000 0.212 85 A C 1.591 179.200 177.584 0.042 0.000 1.280 85 A CA 1.160 53.207 52.037 0.017 0.000 1.034 85 A CB -0.582 18.452 19.000 0.057 0.000 1.255 85 A HN 1.981 nan 8.150 nan 0.000 0.547 86 G N 0.422 109.230 108.800 0.013 0.000 5.229 86 G HA2 -0.350 3.612 3.960 0.003 0.000 0.250 86 G HA3 -0.350 3.612 3.960 0.003 0.000 0.250 86 G C 0.346 175.304 174.900 0.097 0.000 1.380 86 G CA 0.684 45.848 45.100 0.107 0.000 0.933 86 G HN 0.719 nan 8.290 nan 0.000 0.731 87 D N 1.507 121.963 120.400 0.094 0.000 2.411 87 D HA 0.487 5.129 4.640 0.003 0.000 0.251 87 D C 1.518 177.853 176.300 0.058 0.000 1.201 87 D CA 1.342 55.382 54.000 0.067 0.000 0.996 87 D CB 0.491 41.325 40.800 0.057 0.000 1.101 87 D HN 1.734 nan 8.370 nan 0.000 0.504 88 G N -0.218 108.609 108.800 0.046 0.000 2.157 88 G HA2 -0.323 3.639 3.960 0.003 0.000 0.248 88 G HA3 -0.323 3.639 3.960 0.003 0.000 0.248 88 G C 1.100 176.031 174.900 0.051 0.000 0.979 88 G CA 1.450 46.576 45.100 0.042 0.000 0.650 88 G HN 0.666 nan 8.290 nan 0.000 0.529 89 T N -2.120 112.465 114.554 0.051 0.000 2.652 89 T HA -0.160 4.192 4.350 0.003 0.000 0.267 89 T C 2.224 176.949 174.700 0.041 0.000 1.039 89 T CA 2.694 64.824 62.100 0.049 0.000 1.153 89 T CB -0.882 68.010 68.868 0.040 0.000 0.863 89 T HN 0.370 nan 8.240 nan 0.000 0.428 90 T N 1.904 116.477 114.554 0.032 0.000 2.708 90 T HA -0.099 4.253 4.350 0.003 0.000 0.266 90 T C 2.295 177.011 174.700 0.028 0.000 1.037 90 T CA 1.911 64.027 62.100 0.027 0.000 1.146 90 T CB -1.050 67.830 68.868 0.021 0.000 0.865 90 T HN 0.582 nan 8.240 nan 0.000 0.435 91 T N 2.206 116.777 114.554 0.028 0.000 2.684 91 T HA -0.084 4.268 4.350 0.003 0.000 0.267 91 T C 2.416 177.132 174.700 0.027 0.000 1.036 91 T CA 1.263 63.377 62.100 0.023 0.000 1.148 91 T CB -0.637 68.243 68.868 0.018 0.000 0.863 91 T HN 0.445 nan 8.240 nan 0.000 0.436 92 A N 1.459 124.303 122.820 0.040 0.000 1.902 92 A HA -0.126 4.196 4.320 0.003 0.000 0.217 92 A C 2.579 180.193 177.584 0.051 0.000 1.181 92 A CA 2.070 54.140 52.037 0.055 0.000 0.623 92 A CB -1.266 17.797 19.000 0.105 0.000 0.818 92 A HN 0.500 nan 8.150 nan 0.000 0.443 93 T N -0.464 114.117 114.554 0.045 0.000 2.777 93 T HA -0.103 4.249 4.350 0.003 0.000 0.266 93 T C 1.856 176.573 174.700 0.029 0.000 1.040 93 T CA 1.435 63.557 62.100 0.036 0.000 1.141 93 T CB -0.436 68.450 68.868 0.030 0.000 0.868 93 T HN 0.135 nan 8.240 nan 0.000 0.444 94 V N 1.469 121.399 119.914 0.026 0.000 2.332 94 V HA -0.131 3.991 4.120 0.003 0.000 0.248 94 V C 2.474 178.580 176.094 0.021 0.000 1.055 94 V CA 1.513 63.826 62.300 0.021 0.000 1.038 94 V CB -0.617 31.218 31.823 0.020 0.000 0.651 94 V HN 0.433 nan 8.190 nan 0.000 0.450 95 L N -0.278 120.958 121.223 0.021 0.000 2.056 95 L HA -0.133 4.209 4.340 0.003 0.000 0.207 95 L C 2.724 179.607 176.870 0.022 0.000 1.078 95 L CA 1.502 56.353 54.840 0.019 0.000 0.749 95 L CB -0.806 41.261 42.059 0.014 0.000 0.901 95 L HN 0.354 nan 8.230 nan 0.000 0.433 96 A N 0.712 123.549 122.820 0.029 0.000 1.883 96 A HA -0.295 4.027 4.320 0.003 0.000 0.217 96 A C 2.251 179.850 177.584 0.025 0.000 1.186 96 A CA 1.996 54.051 52.037 0.031 0.000 0.624 96 A CB -0.737 18.286 19.000 0.038 0.000 0.822 96 A HN 0.629 nan 8.150 nan 0.000 0.444 97 Q N -0.579 119.235 119.800 0.023 0.000 2.181 97 Q HA -0.002 4.340 4.340 0.003 0.000 0.205 97 Q C 1.974 177.985 176.000 0.019 0.000 0.980 97 Q CA 1.870 57.685 55.803 0.021 0.000 0.862 97 Q CB -0.561 28.189 28.738 0.019 0.000 0.905 97 Q HN 0.502 nan 8.270 nan 0.000 0.429 98 A N 1.364 124.195 122.820 0.018 0.000 1.872 98 A HA -0.039 4.283 4.320 0.003 0.000 0.214 98 A C 2.159 179.753 177.584 0.016 0.000 1.187 98 A CA 1.188 53.234 52.037 0.016 0.000 0.614 98 A CB -0.551 18.458 19.000 0.015 0.000 0.826 98 A HN 0.408 nan 8.150 nan 0.000 0.442 99 I N -0.283 120.298 120.570 0.017 0.000 2.286 99 I HA -0.243 3.929 4.170 0.003 0.000 0.248 99 I C 2.260 178.387 176.117 0.018 0.000 1.115 99 I CA 1.112 62.422 61.300 0.017 0.000 1.392 99 I CB -0.381 37.629 38.000 0.018 0.000 1.065 99 I HN 0.294 nan 8.210 nan 0.000 0.418 100 I N 0.480 121.062 120.570 0.019 0.000 2.113 100 I HA -0.290 3.882 4.170 0.003 0.000 0.238 100 I C 2.605 178.733 176.117 0.018 0.000 1.070 100 I CA 1.803 63.114 61.300 0.020 0.000 1.332 100 I CB -0.617 37.395 38.000 0.021 0.000 1.044 100 I HN 0.215 nan 8.210 nan 0.000 0.402 101 T N -0.022 114.542 114.554 0.017 0.000 2.708 101 T HA -0.138 4.213 4.350 0.003 0.000 0.266 101 T C 1.752 176.461 174.700 0.015 0.000 1.037 101 T CA 1.152 63.261 62.100 0.016 0.000 1.146 101 T CB -0.183 68.694 68.868 0.015 0.000 0.865 101 T HN 0.258 nan 8.240 nan 0.000 0.435 102 E N 0.586 120.794 120.200 0.014 0.000 2.347 102 E HA 0.056 4.408 4.350 0.003 0.000 0.196 102 E C 2.347 178.954 176.600 0.013 0.000 1.008 102 E CA 0.521 56.928 56.400 0.013 0.000 0.852 102 E CB -0.447 29.261 29.700 0.012 0.000 0.783 102 E HN 0.587 nan 8.360 nan 0.000 0.505 103 G N 0.730 109.539 108.800 0.014 0.000 2.411 103 G HA2 -0.105 3.857 3.960 0.003 0.000 0.213 103 G HA3 -0.105 3.857 3.960 0.003 0.000 0.213 103 G C 1.712 176.621 174.900 0.015 0.000 1.166 103 G CA -0.065 45.043 45.100 0.014 0.000 0.802 103 G HN 0.143 nan 8.290 nan 0.000 0.533 104 L N 0.602 121.834 121.223 0.016 0.000 2.042 104 L HA -0.130 4.212 4.340 0.003 0.000 0.210 104 L C 2.803 179.682 176.870 0.015 0.000 1.076 104 L CA 1.780 56.630 54.840 0.017 0.000 0.749 104 L CB -0.325 41.745 42.059 0.018 0.000 0.893 104 L HN 0.268 nan 8.230 nan 0.000 0.432 105 K N 0.502 120.910 120.400 0.013 0.000 2.059 105 K HA -0.267 4.055 4.320 0.003 0.000 0.212 105 K C 2.064 178.671 176.600 0.011 0.000 1.050 105 K CA 1.832 58.126 56.287 0.012 0.000 0.927 105 K CB -0.172 32.334 32.500 0.011 0.000 0.714 105 K HN 0.287 nan 8.250 nan 0.000 0.447 106 A N 0.590 123.417 122.820 0.011 0.000 1.898 106 A HA -0.058 4.264 4.320 0.003 0.000 0.216 106 A C 2.262 179.853 177.584 0.012 0.000 1.181 106 A CA 1.460 53.504 52.037 0.011 0.000 0.620 106 A CB -0.517 18.489 19.000 0.010 0.000 0.819 106 A HN 0.192 nan 8.150 nan 0.000 0.442 107 V N -0.045 119.877 119.914 0.013 0.000 2.407 107 V HA -0.264 3.858 4.120 0.003 0.000 0.248 107 V C 3.010 179.113 176.094 0.015 0.000 1.055 107 V CA 1.959 64.268 62.300 0.015 0.000 1.049 107 V CB -1.144 30.690 31.823 0.018 0.000 0.662 107 V HN 0.606 nan 8.190 nan 0.000 0.455 108 A N -0.229 122.599 122.820 0.014 0.000 1.969 108 A HA 0.003 4.325 4.320 0.003 0.000 0.218 108 A C 2.389 179.979 177.584 0.010 0.000 1.169 108 A CA 1.732 53.776 52.037 0.012 0.000 0.635 108 A CB -0.592 18.415 19.000 0.012 0.000 0.810 108 A HN 0.551 nan 8.150 nan 0.000 0.445 109 A N -1.673 121.153 122.820 0.009 0.000 1.930 109 A HA 0.344 4.666 4.320 0.003 0.000 0.217 109 A C 1.821 179.410 177.584 0.008 0.000 1.175 109 A CA 1.838 53.880 52.037 0.008 0.000 0.627 109 A CB -0.646 18.359 19.000 0.007 0.000 0.815 109 A HN 1.811 nan 8.150 nan 0.000 0.443 110 G N -2.915 105.890 108.800 0.009 0.000 2.148 110 G HA2 -0.042 3.920 3.960 0.003 0.000 0.120 110 G HA3 -0.042 3.920 3.960 0.003 0.000 0.120 110 G C -0.131 174.775 174.900 0.010 0.000 1.034 110 G CA -0.038 45.067 45.100 0.010 0.000 0.710 110 G HN 0.201 nan 8.290 nan 0.000 0.495 111 M N 1.291 120.896 119.600 0.010 0.000 2.238 111 M HA 0.341 4.823 4.480 0.003 0.000 0.347 111 M C 0.709 177.016 176.300 0.011 0.000 1.173 111 M CA -0.716 54.589 55.300 0.010 0.000 1.147 111 M CB 0.436 33.042 32.600 0.009 0.000 1.547 111 M HN 0.261 nan 8.290 nan 0.000 0.455 112 N N 3.928 122.634 118.700 0.011 0.000 2.414 112 N HA 0.030 4.772 4.740 0.003 0.000 0.268 112 N C -2.067 173.450 175.510 0.012 0.000 1.286 112 N CA -1.121 51.936 53.050 0.012 0.000 0.896 112 N CB 0.541 39.035 38.487 0.010 0.000 1.093 112 N HN 0.287 nan 8.380 nan 0.000 0.480 113 P HA -0.163 nan 4.420 nan 0.000 0.217 113 P C 1.173 178.481 177.300 0.014 0.000 1.148 113 P CA 1.184 64.293 63.100 0.015 0.000 0.828 113 P CB 0.129 31.839 31.700 0.017 0.000 0.783 114 M N -1.107 118.501 119.600 0.013 0.000 2.388 114 M HA -0.015 4.467 4.480 0.003 0.000 0.265 114 M C 1.179 177.485 176.300 0.011 0.000 1.088 114 M CA 1.586 56.893 55.300 0.012 0.000 1.134 114 M CB -0.798 31.808 32.600 0.012 0.000 1.384 114 M HN -0.271 nan 8.290 nan 0.000 0.447 115 D N -0.241 120.165 120.400 0.010 0.000 2.183 115 D HA -0.041 4.601 4.640 0.003 0.000 0.203 115 D C 2.022 178.328 176.300 0.009 0.000 0.969 115 D CA 0.992 54.998 54.000 0.009 0.000 0.842 115 D CB -0.113 40.692 40.800 0.009 0.000 0.957 115 D HN 0.353 nan 8.370 nan 0.000 0.484 116 L N 0.791 122.021 121.223 0.010 0.000 2.012 116 L HA -0.195 4.147 4.340 0.003 0.000 0.210 116 L C 2.550 179.427 176.870 0.011 0.000 1.073 116 L CA 1.259 56.106 54.840 0.011 0.000 0.748 116 L CB -0.365 41.701 42.059 0.012 0.000 0.891 116 L HN -0.022 nan 8.230 nan 0.000 0.431 117 K N 0.439 120.846 120.400 0.012 0.000 2.002 117 K HA -0.206 4.116 4.320 0.003 0.000 0.209 117 K C 2.292 178.899 176.600 0.011 0.000 1.048 117 K CA 1.524 57.819 56.287 0.012 0.000 0.930 117 K CB -0.025 32.483 32.500 0.013 0.000 0.714 117 K HN 0.163 nan 8.250 nan 0.000 0.438 118 R N -0.546 119.960 120.500 0.010 0.000 2.127 118 R HA -0.119 4.223 4.340 0.003 0.000 0.238 118 R C 2.372 178.677 176.300 0.008 0.000 1.134 118 R CA 1.349 57.454 56.100 0.009 0.000 0.975 118 R CB -0.386 29.919 30.300 0.008 0.000 0.865 118 R HN 0.392 nan 8.270 nan 0.000 0.447 119 G N 0.685 109.490 108.800 0.008 0.000 2.396 119 G HA2 -0.163 3.799 3.960 0.003 0.000 0.214 119 G HA3 -0.163 3.799 3.960 0.003 0.000 0.214 119 G C 1.419 176.323 174.900 0.007 0.000 1.166 119 G CA 0.280 45.385 45.100 0.007 0.000 0.793 119 G HN 0.132 nan 8.290 nan 0.000 0.533 120 I N 1.176 121.751 120.570 0.009 0.000 2.127 120 I HA -0.169 4.003 4.170 0.003 0.000 0.241 120 I C 2.401 178.523 176.117 0.008 0.000 1.075 120 I CA 1.328 62.633 61.300 0.009 0.000 1.334 120 I CB -0.233 37.774 38.000 0.011 0.000 1.040 120 I HN 0.043 nan 8.210 nan 0.000 0.405 121 D N 0.944 121.350 120.400 0.009 0.000 2.103 121 D HA -0.265 4.377 4.640 0.003 0.000 0.190 121 D C 2.060 178.363 176.300 0.006 0.000 0.997 121 D CA 1.502 55.508 54.000 0.009 0.000 0.833 121 D CB -0.366 40.440 40.800 0.010 0.000 0.961 121 D HN 0.259 nan 8.370 nan 0.000 0.447 122 K N 0.415 120.818 120.400 0.006 0.000 2.103 122 K HA -0.105 4.217 4.320 0.003 0.000 0.207 122 K C 1.972 178.573 176.600 0.002 0.000 1.048 122 K CA 1.339 57.629 56.287 0.004 0.000 0.930 122 K CB -0.073 32.430 32.500 0.004 0.000 0.716 122 K HN 0.074 nan 8.250 nan 0.000 0.444 123 A N 0.511 123.333 122.820 0.003 0.000 1.930 123 A HA -0.078 4.244 4.320 0.003 0.000 0.217 123 A C 2.197 179.779 177.584 -0.002 0.000 1.175 123 A CA 1.388 53.426 52.037 0.001 0.000 0.627 123 A CB -0.506 18.496 19.000 0.003 0.000 0.815 123 A HN 0.163 nan 8.150 nan 0.000 0.443 124 V N 0.010 119.923 119.914 -0.003 0.000 2.255 124 V HA -0.261 3.861 4.120 0.003 0.000 0.247 124 V C 2.787 178.875 176.094 -0.011 0.000 1.051 124 V CA 2.590 64.885 62.300 -0.009 0.000 1.018 124 V CB -1.387 30.433 31.823 -0.006 0.000 0.641 124 V HN 0.627 nan 8.190 nan 0.000 0.445 125 T N 0.539 115.090 114.554 -0.006 0.000 2.652 125 T HA -0.216 4.136 4.350 0.003 0.000 0.267 125 T C 2.071 176.767 174.700 -0.006 0.000 1.039 125 T CA 1.769 63.866 62.100 -0.005 0.000 1.153 125 T CB -0.581 68.286 68.868 -0.001 0.000 0.863 125 T HN 0.576 nan 8.240 nan 0.000 0.428 126 A N 1.648 124.465 122.820 -0.004 0.000 1.883 126 A HA 0.080 4.402 4.320 0.003 0.000 0.217 126 A C 2.684 180.265 177.584 -0.006 0.000 1.186 126 A CA 2.079 54.114 52.037 -0.003 0.000 0.624 126 A CB -1.245 17.754 19.000 -0.001 0.000 0.822 126 A HN 0.539 nan 8.150 nan 0.000 0.444 127 A N -0.858 121.957 122.820 -0.008 0.000 1.930 127 A HA 0.060 4.382 4.320 0.003 0.000 0.217 127 A C 2.238 179.812 177.584 -0.017 0.000 1.175 127 A CA 1.632 53.663 52.037 -0.011 0.000 0.627 127 A CB -0.871 18.122 19.000 -0.012 0.000 0.815 127 A HN 0.369 nan 8.150 nan 0.000 0.443 128 V N 0.416 120.317 119.914 -0.022 0.000 2.255 128 V HA -0.227 3.894 4.120 0.003 0.000 0.247 128 V C 2.552 178.635 176.094 -0.020 0.000 1.051 128 V CA 2.241 64.524 62.300 -0.029 0.000 1.018 128 V CB -0.615 31.188 31.823 -0.033 0.000 0.641 128 V HN 0.553 nan 8.190 nan 0.000 0.445 129 E N -0.569 119.623 120.200 -0.013 0.000 2.152 129 E HA -0.146 4.206 4.350 0.003 0.000 0.192 129 E C 2.233 178.829 176.600 -0.006 0.000 0.983 129 E CA 0.565 56.960 56.400 -0.008 0.000 0.818 129 E CB -0.197 29.500 29.700 -0.005 0.000 0.758 129 E HN 0.624 nan 8.360 nan 0.000 0.467 130 E N 0.891 121.088 120.200 -0.006 0.000 2.085 130 E HA -0.145 4.207 4.350 0.003 0.000 0.194 130 E C 2.351 178.949 176.600 -0.004 0.000 0.994 130 E CA 0.655 57.053 56.400 -0.003 0.000 0.801 130 E CB -0.197 29.502 29.700 -0.002 0.000 0.743 130 E HN 0.285 nan 8.360 nan 0.000 0.453 131 L N 0.606 121.824 121.223 -0.008 0.000 2.131 131 L HA -0.188 4.154 4.340 0.003 0.000 0.210 131 L C 2.356 179.221 176.870 -0.009 0.000 1.092 131 L CA 0.992 55.826 54.840 -0.010 0.000 0.759 131 L CB -0.225 41.823 42.059 -0.018 0.000 0.903 131 L HN -0.014 nan 8.230 nan 0.000 0.435 132 K N 0.240 120.635 120.400 -0.009 0.000 2.097 132 K HA -0.111 4.211 4.320 0.003 0.000 0.206 132 K C 2.159 178.758 176.600 -0.003 0.000 1.049 132 K CA 1.466 57.749 56.287 -0.006 0.000 0.933 132 K CB -0.471 32.026 32.500 -0.006 0.000 0.717 132 K HN 0.275 nan 8.250 nan 0.000 0.442 133 A N 0.048 122.867 122.820 -0.001 0.000 1.897 133 A HA -0.060 4.262 4.320 0.003 0.000 0.215 133 A C 1.899 179.485 177.584 0.002 0.000 1.181 133 A CA 1.088 53.125 52.037 0.001 0.000 0.620 133 A CB -0.443 18.558 19.000 0.001 0.000 0.821 133 A HN 0.153 nan 8.150 nan 0.000 0.443 134 L N 0.160 121.384 121.223 0.003 0.000 2.362 134 L HA 0.040 4.382 4.340 0.003 0.000 0.219 134 L C 1.481 178.353 176.870 0.004 0.000 1.134 134 L CA 0.754 55.596 54.840 0.005 0.000 0.807 134 L CB -0.514 41.549 42.059 0.006 0.000 0.927 134 L HN 0.245 nan 8.230 nan 0.000 0.447 135 S N -0.103 115.598 115.700 0.001 0.000 2.509 135 S HA 0.049 4.521 4.470 0.003 0.000 0.287 135 S C 0.108 174.709 174.600 0.003 0.000 1.248 135 S CA -0.409 57.791 58.200 0.001 0.000 1.089 135 S CB 0.220 63.419 63.200 -0.001 0.000 0.900 135 S HN 0.078 nan 8.310 nan 0.000 0.496 136 V N 9.620 129.536 119.914 0.003 0.000 2.434 136 V HA 0.271 4.393 4.120 0.003 0.000 0.281 136 V C -1.753 174.342 176.094 0.003 0.000 1.005 136 V CA -0.919 61.383 62.300 0.003 0.000 1.089 136 V CB 0.051 31.876 31.823 0.004 0.000 0.978 136 V HN 0.985 nan 8.190 nan 0.000 0.474 137 P HA -0.221 nan 4.420 nan 0.000 0.014 137 P C 0.340 177.642 177.300 0.002 0.000 0.631 137 P CA 0.926 64.028 63.100 0.003 0.000 1.035 137 P CB -1.794 29.907 31.700 0.003 0.000 1.908 138 C N 1.372 120.674 119.300 0.002 0.000 2.592 138 C HA 0.280 4.742 4.460 0.003 0.000 0.408 138 C C 1.636 176.627 174.990 0.002 0.000 1.436 138 C CA 1.300 60.319 59.018 0.002 0.000 1.595 138 C CB -1.195 26.546 27.740 0.003 0.000 2.487 138 C HN 0.590 nan 8.230 nan 0.000 0.610 139 S N 1.770 117.471 115.700 0.001 0.000 2.967 139 S HA 0.238 4.710 4.470 0.003 0.000 0.236 139 S C -0.989 173.611 174.600 0.000 0.000 0.804 139 S CA -0.157 58.044 58.200 0.001 0.000 1.223 139 S CB -0.277 62.924 63.200 0.001 0.000 1.268 139 S HN 0.933 nan 8.310 nan 0.000 0.573 140 D N -0.419 119.980 120.400 -0.001 0.000 2.671 140 D HA 0.416 5.058 4.640 0.003 0.000 0.273 140 D C 0.382 176.681 176.300 -0.003 0.000 1.264 140 D CA -0.417 53.582 54.000 -0.002 0.000 0.788 140 D CB 0.557 41.356 40.800 -0.002 0.000 1.324 140 D HN -0.146 nan 8.370 nan 0.000 0.424 141 S N -0.527 115.171 115.700 -0.003 0.000 2.447 141 S HA -0.122 4.350 4.470 0.003 0.000 0.233 141 S C 1.500 176.096 174.600 -0.006 0.000 1.006 141 S CA 1.079 59.276 58.200 -0.005 0.000 0.957 141 S CB -0.174 63.023 63.200 -0.005 0.000 0.773 141 S HN 0.565 nan 8.310 nan 0.000 0.507 142 K N 1.735 122.132 120.400 -0.006 0.000 2.062 142 K HA 0.050 4.371 4.320 0.003 0.000 0.205 142 K C 2.306 178.901 176.600 -0.008 0.000 1.051 142 K CA 0.982 57.265 56.287 -0.007 0.000 0.941 142 K CB -0.362 32.134 32.500 -0.007 0.000 0.719 142 K HN 0.283 nan 8.250 nan 0.000 0.440 143 A N 1.602 124.419 122.820 -0.006 0.000 1.908 143 A HA -0.155 4.167 4.320 0.003 0.000 0.218 143 A C 2.083 179.663 177.584 -0.006 0.000 1.181 143 A CA 1.548 53.581 52.037 -0.006 0.000 0.627 143 A CB -0.636 18.362 19.000 -0.003 0.000 0.818 143 A HN 0.353 nan 8.150 nan 0.000 0.445 144 I N -0.212 120.356 120.570 -0.005 0.000 2.127 144 I HA -0.330 3.842 4.170 0.003 0.000 0.241 144 I C 3.013 179.125 176.117 -0.008 0.000 1.075 144 I CA 1.239 62.536 61.300 -0.005 0.000 1.334 144 I CB -0.428 37.570 38.000 -0.005 0.000 1.040 144 I HN 0.366 nan 8.210 nan 0.000 0.405 145 A N 0.062 122.876 122.820 -0.010 0.000 1.908 145 A HA -0.290 4.032 4.320 0.003 0.000 0.218 145 A C 2.261 179.837 177.584 -0.014 0.000 1.181 145 A CA 1.847 53.877 52.037 -0.012 0.000 0.627 145 A CB -0.711 18.282 19.000 -0.012 0.000 0.818 145 A HN 0.498 nan 8.150 nan 0.000 0.445 146 Q N -0.516 119.276 119.800 -0.013 0.000 2.020 146 Q HA -0.141 4.201 4.340 0.003 0.000 0.202 146 Q C 2.269 178.260 176.000 -0.015 0.000 0.982 146 Q CA 2.241 58.034 55.803 -0.016 0.000 0.838 146 Q CB -0.536 28.192 28.738 -0.016 0.000 0.899 146 Q HN 0.762 nan 8.270 nan 0.000 0.423 147 V N -2.216 117.692 119.914 -0.011 0.000 2.515 147 V HA -0.059 4.063 4.120 0.003 0.000 0.250 147 V C 1.955 178.044 176.094 -0.008 0.000 1.058 147 V CA 1.960 64.255 62.300 -0.008 0.000 1.064 147 V CB -1.404 30.417 31.823 -0.002 0.000 0.675 147 V HN 0.356 nan 8.190 nan 0.000 0.461 148 G N 0.274 109.067 108.800 -0.010 0.000 2.421 148 G HA2 -0.197 3.765 3.960 0.003 0.000 0.216 148 G HA3 -0.197 3.765 3.960 0.003 0.000 0.216 148 G C 1.575 176.466 174.900 -0.015 0.000 1.171 148 G CA 1.469 46.561 45.100 -0.013 0.000 0.775 148 G HN 0.483 nan 8.290 nan 0.000 0.543 149 T N 1.177 115.722 114.554 -0.017 0.000 2.867 149 T HA -0.057 4.295 4.350 0.003 0.000 0.268 149 T C 2.348 177.036 174.700 -0.021 0.000 1.057 149 T CA 0.779 62.867 62.100 -0.019 0.000 1.136 149 T CB -0.097 68.758 68.868 -0.021 0.000 0.874 149 T HN 0.107 nan 8.240 nan 0.000 0.466 150 I N 0.916 121.474 120.570 -0.020 0.000 2.142 150 I HA -0.128 4.044 4.170 0.003 0.000 0.240 150 I C 2.673 178.781 176.117 -0.015 0.000 1.078 150 I CA 1.142 62.429 61.300 -0.021 0.000 1.343 150 I CB -0.689 37.299 38.000 -0.020 0.000 1.046 150 I HN 0.152 nan 8.210 nan 0.000 0.405 151 S N 0.083 115.778 115.700 -0.009 0.000 2.348 151 S HA -0.118 4.354 4.470 0.003 0.000 0.221 151 S C 2.115 176.712 174.600 -0.006 0.000 1.033 151 S CA 1.248 59.446 58.200 -0.003 0.000 1.010 151 S CB -0.445 62.757 63.200 0.002 0.000 0.891 151 S HN 0.433 nan 8.310 nan 0.000 0.442 152 A N 0.960 123.774 122.820 -0.010 0.000 2.239 152 A HA 0.170 4.492 4.320 0.003 0.000 0.209 152 A C 0.818 178.395 177.584 -0.013 0.000 1.171 152 A CA 0.762 52.793 52.037 -0.011 0.000 0.768 152 A CB -0.783 18.209 19.000 -0.014 0.000 0.790 152 A HN 0.820 nan 8.150 nan 0.000 0.478 153 N N -1.160 117.531 118.700 -0.014 0.000 3.038 153 N HA -0.189 4.553 4.740 0.003 0.000 0.247 153 N C 0.045 175.542 175.510 -0.021 0.000 1.106 153 N CA 0.626 53.666 53.050 -0.017 0.000 0.672 153 N CB -1.313 37.166 38.487 -0.013 0.000 1.022 153 N HN 0.422 nan 8.380 nan 0.000 0.565 154 S N -1.091 114.594 115.700 -0.025 0.000 3.171 154 S HA -0.184 4.288 4.470 0.003 0.000 0.279 154 S C -0.276 174.309 174.600 -0.024 0.000 1.294 154 S CA 0.935 59.118 58.200 -0.028 0.000 1.077 154 S CB -0.883 62.297 63.200 -0.033 0.000 1.298 154 S HN 0.707 nan 8.310 nan 0.000 0.666 155 D N 1.866 122.254 120.400 -0.020 0.000 2.416 155 D HA 0.140 4.782 4.640 0.003 0.000 0.240 155 D C 1.201 177.490 176.300 -0.018 0.000 1.250 155 D CA 0.106 54.095 54.000 -0.018 0.000 0.967 155 D CB 0.289 41.079 40.800 -0.016 0.000 1.059 155 D HN 0.482 nan 8.370 nan 0.000 0.512 156 E N 1.073 121.262 120.200 -0.019 0.000 2.118 156 E HA -0.178 4.174 4.350 0.003 0.000 0.195 156 E C 1.655 178.245 176.600 -0.016 0.000 0.992 156 E CA 1.497 57.886 56.400 -0.018 0.000 0.804 156 E CB 0.269 29.959 29.700 -0.018 0.000 0.741 156 E HN 0.600 nan 8.360 nan 0.000 0.458 157 T N -0.310 114.235 114.554 -0.015 0.000 2.737 157 T HA -0.112 4.239 4.350 0.003 0.000 0.265 157 T C 2.181 176.872 174.700 -0.015 0.000 1.038 157 T CA 1.078 63.169 62.100 -0.015 0.000 1.144 157 T CB -0.635 68.225 68.868 -0.014 0.000 0.866 157 T HN -0.043 nan 8.240 nan 0.000 0.434 158 V N 1.980 121.884 119.914 -0.016 0.000 2.358 158 V HA -0.017 4.104 4.120 0.003 0.000 0.246 158 V C 3.024 179.107 176.094 -0.018 0.000 1.047 158 V CA 1.868 64.157 62.300 -0.018 0.000 1.035 158 V CB -1.469 30.343 31.823 -0.018 0.000 0.658 158 V HN 0.676 nan 8.190 nan 0.000 0.452 159 G N -0.040 108.750 108.800 -0.017 0.000 2.421 159 G HA2 -0.328 3.634 3.960 0.003 0.000 0.216 159 G HA3 -0.328 3.634 3.960 0.003 0.000 0.216 159 G C 1.574 176.465 174.900 -0.015 0.000 1.171 159 G CA 1.195 46.285 45.100 -0.017 0.000 0.775 159 G HN 0.467 nan 8.290 nan 0.000 0.543 160 K N 0.088 120.479 120.400 -0.015 0.000 2.063 160 K HA -0.036 4.286 4.320 0.003 0.000 0.208 160 K C 2.307 178.899 176.600 -0.014 0.000 1.048 160 K CA 1.102 57.381 56.287 -0.014 0.000 0.928 160 K CB -0.690 31.802 32.500 -0.013 0.000 0.713 160 K HN 0.256 nan 8.250 nan 0.000 0.442 161 L N 0.500 121.714 121.223 -0.015 0.000 2.027 161 L HA 0.040 4.382 4.340 0.003 0.000 0.206 161 L C 2.093 178.953 176.870 -0.017 0.000 1.074 161 L CA 1.516 56.347 54.840 -0.015 0.000 0.745 161 L CB -0.320 41.729 42.059 -0.016 0.000 0.898 161 L HN 0.264 nan 8.230 nan 0.000 0.433 162 I N -0.759 119.800 120.570 -0.019 0.000 2.226 162 I HA -0.294 3.878 4.170 0.003 0.000 0.245 162 I C 2.544 178.652 176.117 -0.016 0.000 1.100 162 I CA 1.114 62.402 61.300 -0.020 0.000 1.374 162 I CB -0.629 37.357 38.000 -0.025 0.000 1.057 162 I HN 0.320 nan 8.210 nan 0.000 0.413 163 A N 0.473 123.285 122.820 -0.014 0.000 1.877 163 A HA -0.216 4.106 4.320 0.003 0.000 0.216 163 A C 2.223 179.801 177.584 -0.010 0.000 1.186 163 A CA 1.599 53.630 52.037 -0.011 0.000 0.620 163 A CB -0.575 18.419 19.000 -0.011 0.000 0.822 163 A HN 0.424 nan 8.150 nan 0.000 0.443 164 E N -0.377 119.817 120.200 -0.011 0.000 2.204 164 E HA -0.088 4.264 4.350 0.003 0.000 0.195 164 E C 2.216 178.810 176.600 -0.010 0.000 0.990 164 E CA 0.725 57.119 56.400 -0.010 0.000 0.821 164 E CB -0.214 29.480 29.700 -0.010 0.000 0.750 164 E HN 0.641 nan 8.360 nan 0.000 0.477 165 A N 1.069 123.882 122.820 -0.011 0.000 1.872 165 A HA -0.130 4.192 4.320 0.003 0.000 0.214 165 A C 2.141 179.720 177.584 -0.009 0.000 1.187 165 A CA 0.999 53.029 52.037 -0.011 0.000 0.614 165 A CB -0.327 18.665 19.000 -0.013 0.000 0.826 165 A HN 0.108 nan 8.150 nan 0.000 0.442 166 M N -0.838 118.757 119.600 -0.008 0.000 2.159 166 M HA -0.166 4.316 4.480 0.003 0.000 0.263 166 M C 1.760 178.057 176.300 -0.005 0.000 1.063 166 M CA 1.936 57.233 55.300 -0.006 0.000 1.110 166 M CB -0.621 31.976 32.600 -0.005 0.000 1.374 166 M HN 0.535 nan 8.290 nan 0.000 0.411 167 D N 0.169 120.565 120.400 -0.005 0.000 2.311 167 D HA -0.149 4.493 4.640 0.003 0.000 0.212 167 D C 1.679 177.976 176.300 -0.005 0.000 0.972 167 D CA 1.155 55.152 54.000 -0.005 0.000 0.887 167 D CB 0.347 41.144 40.800 -0.006 0.000 0.915 167 D HN 0.121 nan 8.370 nan 0.000 0.497 168 K N -1.007 119.390 120.400 -0.005 0.000 2.273 168 K HA 0.116 4.438 4.320 0.003 0.000 0.206 168 K C 1.834 178.432 176.600 -0.004 0.000 1.072 168 K CA 0.778 57.062 56.287 -0.005 0.000 0.953 168 K CB 0.009 32.506 32.500 -0.006 0.000 1.043 168 K HN 0.098 nan 8.250 nan 0.000 0.477 169 V N -1.956 117.956 119.914 -0.004 0.000 3.129 169 V HA 0.336 4.458 4.120 0.003 0.000 0.259 169 V C 0.836 176.929 176.094 -0.001 0.000 1.116 169 V CA 0.602 62.900 62.300 -0.002 0.000 1.127 169 V CB -0.989 30.832 31.823 -0.003 0.000 0.742 169 V HN 0.326 nan 8.190 nan 0.000 0.474 170 G N 0.461 109.261 108.800 -0.001 0.000 2.757 170 G HA2 -0.226 3.736 3.960 0.003 0.000 0.638 170 G HA3 -0.226 3.736 3.960 0.003 0.000 0.638 170 G C 0.155 175.056 174.900 0.002 0.000 1.344 170 G CA 0.106 45.207 45.100 0.001 0.000 0.855 170 G HN 0.368 nan 8.290 nan 0.000 0.537 171 K N 0.067 120.469 120.400 0.004 0.000 2.127 171 K HA -0.144 4.178 4.320 0.003 0.000 0.208 171 K C 1.698 178.303 176.600 0.009 0.000 1.047 171 K CA 2.163 58.453 56.287 0.006 0.000 0.927 171 K CB -0.042 32.461 32.500 0.006 0.000 0.716 171 K HN 0.597 nan 8.250 nan 0.000 0.450 172 E N -0.386 119.819 120.200 0.009 0.000 2.693 172 E HA 0.108 4.459 4.350 0.003 0.000 0.214 172 E C 0.085 176.691 176.600 0.010 0.000 0.990 172 E CA -0.467 55.940 56.400 0.012 0.000 1.047 172 E CB 1.247 30.953 29.700 0.010 0.000 1.039 172 E HN 0.216 nan 8.360 nan 0.000 0.475 173 G N 0.666 109.470 108.800 0.007 0.000 2.527 173 G HA2 0.170 4.132 3.960 0.003 0.000 0.248 173 G HA3 0.170 4.132 3.960 0.003 0.000 0.248 173 G C 0.263 175.166 174.900 0.006 0.000 1.231 173 G CA -0.392 44.710 45.100 0.005 0.000 0.838 173 G HN 0.041 nan 8.290 nan 0.000 0.570 174 V N 3.491 123.408 119.914 0.005 0.000 2.096 174 V HA 0.125 4.247 4.120 0.003 0.000 0.259 174 V C 0.692 176.786 176.094 0.001 0.000 1.420 174 V CA -0.255 62.049 62.300 0.007 0.000 1.336 174 V CB -0.891 30.937 31.823 0.009 0.000 1.394 174 V HN 0.445 nan 8.190 nan 0.000 0.494 175 I N 3.967 124.534 120.570 -0.005 0.000 2.648 175 I HA 0.283 4.455 4.170 0.003 0.000 0.284 175 I C 1.011 177.116 176.117 -0.019 0.000 1.153 175 I CA 0.716 62.008 61.300 -0.014 0.000 1.426 175 I CB 0.841 38.828 38.000 -0.022 0.000 1.381 175 I HN 0.637 nan 8.210 nan 0.000 0.571 176 T N 2.847 117.389 114.554 -0.020 0.000 2.626 176 T HA 0.759 5.110 4.350 0.003 0.000 0.279 176 T C -0.728 173.957 174.700 -0.025 0.000 0.983 176 T CA -0.829 61.258 62.100 -0.021 0.000 1.059 176 T CB 1.923 70.791 68.868 -0.001 0.000 1.396 176 T HN 0.425 nan 8.240 nan 0.000 0.519 177 V N -0.312 119.591 119.914 -0.019 0.000 3.000 177 V HA 0.717 4.839 4.120 0.003 0.000 0.300 177 V C -2.054 174.036 176.094 -0.007 0.000 1.251 177 V CA -0.409 61.880 62.300 -0.019 0.000 0.972 177 V CB 1.950 33.755 31.823 -0.031 0.000 1.065 177 V HN 1.122 nan 8.190 nan 0.000 0.431 178 E N 2.673 122.869 120.200 -0.006 0.000 2.390 178 E HA 0.395 4.747 4.350 0.003 0.000 0.277 178 E C -1.799 174.799 176.600 -0.003 0.000 0.939 178 E CA -0.971 55.428 56.400 -0.001 0.000 0.769 178 E CB 1.977 31.677 29.700 -0.000 0.000 1.251 178 E HN 0.791 nan 8.360 nan 0.000 0.450 179 D N 1.133 121.532 120.400 -0.001 0.000 2.520 179 D HA 0.200 4.842 4.640 0.003 0.000 0.243 179 D C 0.037 176.335 176.300 -0.004 0.000 1.160 179 D CA 0.659 54.658 54.000 -0.002 0.000 0.877 179 D CB 0.591 41.391 40.800 0.001 0.000 1.150 179 D HN 0.435 nan 8.370 nan 0.000 0.494 180 G N 0.485 109.282 108.800 -0.005 0.000 2.367 180 G HA2 0.395 4.357 3.960 0.003 0.000 0.314 180 G HA3 0.395 4.357 3.960 0.003 0.000 0.314 180 G C 0.633 175.530 174.900 -0.006 0.000 1.130 180 G CA -0.826 44.271 45.100 -0.006 0.000 0.864 180 G HN 0.440 nan 8.290 nan 0.000 0.486 181 T N -0.999 113.551 114.554 -0.007 0.000 3.535 181 T HA 0.531 4.883 4.350 0.003 0.000 0.238 181 T C 0.752 175.448 174.700 -0.006 0.000 0.909 181 T CA 0.113 62.209 62.100 -0.006 0.000 0.928 181 T CB -0.294 68.570 68.868 -0.007 0.000 1.134 181 T HN 1.144 nan 8.240 nan 0.000 0.627 182 G N -0.058 108.738 108.800 -0.006 0.000 2.523 182 G HA2 0.432 4.394 3.960 0.003 0.000 0.291 182 G HA3 0.432 4.394 3.960 0.003 0.000 0.291 182 G C -0.134 174.763 174.900 -0.006 0.000 1.450 182 G CA -1.044 44.052 45.100 -0.006 0.000 0.790 182 G HN 0.249 nan 8.290 nan 0.000 0.496 183 L N -0.160 121.059 121.223 -0.006 0.000 2.610 183 L HA 0.196 4.538 4.340 0.003 0.000 0.232 183 L C 0.711 177.577 176.870 -0.007 0.000 1.149 183 L CA 0.538 55.374 54.840 -0.006 0.000 0.872 183 L CB -0.558 41.498 42.059 -0.006 0.000 0.992 183 L HN 0.641 nan 8.230 nan 0.000 0.447 184 Q N -2.479 117.317 119.800 -0.007 0.000 2.575 184 Q HA 0.410 4.752 4.340 0.003 0.000 0.290 184 Q C -1.524 174.471 176.000 -0.009 0.000 0.963 184 Q CA -0.935 54.864 55.803 -0.008 0.000 0.783 184 Q CB 0.580 29.313 28.738 -0.008 0.000 1.467 184 Q HN -0.099 nan 8.270 nan 0.000 0.402 185 D N 0.124 120.518 120.400 -0.010 0.000 2.348 185 D HA 0.488 5.130 4.640 0.003 0.000 0.249 185 D C -0.808 175.485 176.300 -0.011 0.000 1.110 185 D CA -0.474 53.520 54.000 -0.010 0.000 0.967 185 D CB 0.923 41.716 40.800 -0.012 0.000 1.139 185 D HN 0.568 nan 8.370 nan 0.000 0.466 186 E N 0.601 120.795 120.200 -0.011 0.000 2.275 186 E HA 0.383 4.735 4.350 0.003 0.000 0.270 186 E C -1.791 174.801 176.600 -0.013 0.000 0.882 186 E CA -0.958 55.435 56.400 -0.012 0.000 0.758 186 E CB 1.467 31.161 29.700 -0.011 0.000 1.195 186 E HN 0.274 nan 8.360 nan 0.000 0.419 187 L N 4.229 125.445 121.223 -0.013 0.000 2.264 187 L HA 0.457 4.799 4.340 0.003 0.000 0.289 187 L C -1.183 175.679 176.870 -0.013 0.000 1.044 187 L CA -0.041 54.791 54.840 -0.013 0.000 0.807 187 L CB 1.125 43.176 42.059 -0.013 0.000 1.192 187 L HN 0.441 nan 8.230 nan 0.000 0.425 188 D N 3.903 124.295 120.400 -0.013 0.000 2.185 188 D HA 0.545 5.187 4.640 0.003 0.000 0.247 188 D C -0.941 175.351 176.300 -0.013 0.000 1.027 188 D CA -0.016 53.976 54.000 -0.014 0.000 0.861 188 D CB 2.377 43.169 40.800 -0.015 0.000 1.202 188 D HN 0.321 nan 8.370 nan 0.000 0.453 189 V N 1.957 121.864 119.914 -0.013 0.000 2.588 189 V HA 0.461 4.583 4.120 0.003 0.000 0.304 189 V C -0.164 175.923 176.094 -0.013 0.000 1.042 189 V CA -0.804 61.489 62.300 -0.011 0.000 0.877 189 V CB 2.201 34.018 31.823 -0.010 0.000 0.996 189 V HN 0.262 nan 8.190 nan 0.000 0.425 190 V N 3.631 123.538 119.914 -0.012 0.000 2.540 190 V HA 0.584 4.706 4.120 0.003 0.000 0.302 190 V C -0.353 175.735 176.094 -0.010 0.000 1.035 190 V CA -0.580 61.712 62.300 -0.014 0.000 0.873 190 V CB 1.960 33.773 31.823 -0.016 0.000 0.992 190 V HN 0.840 nan 8.190 nan 0.000 0.428 191 E N 1.804 121.998 120.200 -0.011 0.000 2.263 191 E HA 0.751 5.103 4.350 0.003 0.000 0.264 191 E C 0.429 177.024 176.600 -0.009 0.000 0.923 191 E CA 0.517 56.913 56.400 -0.008 0.000 0.802 191 E CB 2.233 31.929 29.700 -0.007 0.000 1.228 191 E HN 1.010 nan 8.360 nan 0.000 0.417 192 G N 1.194 109.993 108.800 -0.003 0.000 2.584 192 G HA2 -0.254 3.708 3.960 0.003 0.000 0.229 192 G HA3 -0.254 3.708 3.960 0.003 0.000 0.229 192 G C -0.527 174.378 174.900 0.009 0.000 1.320 192 G CA 0.052 45.152 45.100 0.001 0.000 0.891 192 G HN 0.479 nan 8.290 nan 0.000 0.573 193 M N 0.381 119.988 119.600 0.013 0.000 2.464 193 M HA 0.725 5.207 4.480 0.003 0.000 0.308 193 M C -0.646 175.651 176.300 -0.004 0.000 1.127 193 M CA -0.627 54.698 55.300 0.042 0.000 0.913 193 M CB 1.901 34.557 32.600 0.094 0.000 1.689 193 M HN 0.931 nan 8.290 nan 0.000 0.445 194 Q N 4.259 124.065 119.800 0.010 0.000 2.353 194 Q HA 0.671 5.013 4.340 0.003 0.000 0.275 194 Q C -2.198 173.817 176.000 0.025 0.000 1.029 194 Q CA -0.675 55.053 55.803 -0.125 0.000 0.848 194 Q CB 2.387 31.067 28.738 -0.096 0.000 1.390 194 Q HN 0.738 nan 8.270 nan 0.000 0.401 195 F N -0.703 119.243 119.950 -0.006 0.000 2.693 195 F HA 0.451 4.980 4.527 0.003 0.000 0.309 195 F C -0.819 174.978 175.800 -0.004 0.000 1.129 195 F CA -1.110 56.887 58.000 -0.005 0.000 0.948 195 F CB 1.010 40.007 39.000 -0.005 0.000 1.315 195 F HN 0.377 nan 8.300 nan 0.000 0.447 196 D N 0.862 121.431 120.400 0.282 0.000 2.644 196 D HA 0.197 4.839 4.640 0.003 0.000 0.252 196 D C -0.386 176.030 176.300 0.193 0.000 1.254 196 D CA 0.493 54.592 54.000 0.166 0.000 0.884 196 D CB -0.135 40.744 40.800 0.132 0.000 1.034 196 D HN 0.401 nan 8.370 nan 0.000 0.473 197 R N -0.369 120.310 120.500 0.299 0.000 2.604 197 R HA 0.665 5.007 4.340 0.003 0.000 0.281 197 R C 0.030 176.409 176.300 0.131 0.000 1.020 197 R CA -0.647 55.583 56.100 0.216 0.000 0.899 197 R CB 1.701 32.153 30.300 0.253 0.000 1.205 197 R HN 0.128 nan 8.270 nan 0.000 0.450 198 G N 1.018 109.818 108.800 -0.001 0.000 2.971 198 G HA2 0.291 4.253 3.960 0.003 0.000 0.235 198 G HA3 0.291 4.253 3.960 0.003 0.000 0.235 198 G C -1.066 173.812 174.900 -0.037 0.000 1.351 198 G CA -0.616 44.419 45.100 -0.108 0.000 1.039 198 G HN 0.555 nan 8.290 nan 0.000 0.563 199 Y N -0.624 119.698 120.300 0.037 0.000 2.578 199 Y HA 0.362 4.914 4.550 0.003 0.000 0.339 199 Y C 1.222 177.170 175.900 0.081 0.000 1.231 199 Y CA -0.770 57.368 58.100 0.062 0.000 1.461 199 Y CB 0.419 38.895 38.460 0.027 0.000 1.323 199 Y HN 0.198 nan 8.280 nan 0.000 0.590 200 L N 1.481 122.912 121.223 0.347 0.000 2.179 200 L HA 0.002 4.344 4.340 0.003 0.000 0.208 200 L C 1.147 178.224 176.870 0.345 0.000 1.096 200 L CA 1.058 56.066 54.840 0.281 0.000 0.779 200 L CB -0.083 42.097 42.059 0.202 0.000 0.922 200 L HN 0.745 nan 8.230 nan 0.000 0.443 201 S N 0.313 116.229 115.700 0.361 0.000 2.461 201 S HA 0.273 4.745 4.470 0.003 0.000 0.322 201 S C -1.529 173.070 174.600 -0.000 0.000 1.063 201 S CA -1.641 56.734 58.200 0.292 0.000 1.120 201 S CB 0.956 64.341 63.200 0.308 0.000 0.968 201 S HN -0.038 nan 8.310 nan 0.000 0.467 202 P HA -0.052 nan 4.420 nan 0.000 0.225 202 P C 0.477 177.566 177.300 -0.351 0.000 1.156 202 P CA 0.790 63.675 63.100 -0.359 0.000 0.787 202 P CB -0.152 31.416 31.700 -0.219 0.000 0.802 203 Y N -1.657 118.619 120.300 -0.040 0.000 2.680 203 Y HA 0.027 4.579 4.550 0.003 0.000 0.303 203 Y C 1.873 177.805 175.900 0.053 0.000 1.166 203 Y CA 0.460 58.560 58.100 0.001 0.000 1.344 203 Y CB -1.061 37.410 38.460 0.018 0.000 1.002 203 Y HN -0.029 nan 8.280 nan 0.000 0.537 204 F N 0.198 120.093 119.950 -0.092 0.000 2.772 204 F HA 0.349 4.878 4.527 0.003 0.000 0.302 204 F C 0.055 175.710 175.800 -0.242 0.000 1.136 204 F CA -0.566 57.356 58.000 -0.130 0.000 1.322 204 F CB 0.109 39.055 39.000 -0.090 0.000 0.967 204 F HN -0.181 nan 8.300 nan 0.000 0.513 205 I N 3.221 123.617 120.570 -0.290 0.000 2.593 205 I HA -0.141 4.031 4.170 0.003 0.000 0.304 205 I C 1.439 177.465 176.117 -0.152 0.000 1.176 205 I CA 0.316 61.436 61.300 -0.300 0.000 1.533 205 I CB -0.199 37.674 38.000 -0.212 0.000 1.492 205 I HN 0.436 nan 8.210 nan 0.000 0.704 206 N N 5.251 123.832 118.700 -0.198 0.000 2.515 206 N HA -0.066 4.676 4.740 0.003 0.000 0.185 206 N C 0.210 175.692 175.510 -0.048 0.000 1.109 206 N CA 0.344 53.361 53.050 -0.055 0.000 0.903 206 N CB 0.410 38.904 38.487 0.012 0.000 0.969 206 N HN 0.312 nan 8.380 nan 0.000 0.450 207 K N 1.305 121.661 120.400 -0.074 0.000 2.562 207 K HA 0.282 4.604 4.320 0.003 0.000 0.206 207 K C -2.030 174.547 176.600 -0.038 0.000 1.033 207 K CA -1.934 54.327 56.287 -0.044 0.000 1.029 207 K CB 1.884 34.359 32.500 -0.042 0.000 1.393 207 K HN -0.011 nan 8.250 nan 0.000 0.539 208 P HA -0.158 nan 4.420 nan 0.000 0.221 208 P C 0.474 177.766 177.300 -0.014 0.000 1.145 208 P CA 1.140 64.227 63.100 -0.021 0.000 0.795 208 P CB 0.455 32.147 31.700 -0.013 0.000 0.775 209 E N -1.138 119.054 120.200 -0.013 0.000 2.204 209 E HA -0.121 4.231 4.350 0.003 0.000 0.195 209 E C 1.522 178.116 176.600 -0.011 0.000 0.990 209 E CA 1.892 58.286 56.400 -0.011 0.000 0.821 209 E CB -0.830 28.863 29.700 -0.010 0.000 0.750 209 E HN 0.408 nan 8.360 nan 0.000 0.477 210 T N -5.687 108.859 114.554 -0.013 0.000 3.041 210 T HA 0.388 4.740 4.350 0.003 0.000 0.276 210 T C 1.489 176.186 174.700 -0.004 0.000 0.948 210 T CA 0.037 62.130 62.100 -0.011 0.000 0.885 210 T CB 0.790 69.648 68.868 -0.016 0.000 1.175 210 T HN 0.234 nan 8.240 nan 0.000 0.529 211 G N 1.423 110.221 108.800 -0.003 0.000 2.148 211 G HA2 0.044 4.006 3.960 0.003 0.000 0.254 211 G HA3 0.044 4.006 3.960 0.003 0.000 0.254 211 G C 0.278 175.208 174.900 0.050 0.000 0.981 211 G CA 0.009 45.122 45.100 0.021 0.000 0.670 211 G HN 1.248 nan 8.290 nan 0.000 0.528 212 A N -1.046 121.775 122.820 0.001 0.000 2.288 212 A HA 0.926 5.248 4.320 0.003 0.000 0.328 212 A C 0.111 177.628 177.584 -0.111 0.000 1.123 212 A CA -0.043 51.991 52.037 -0.006 0.000 0.861 212 A CB 1.759 20.745 19.000 -0.024 0.000 1.272 212 A HN 1.213 nan 8.150 nan 0.000 0.490 213 V N 0.575 120.399 119.914 -0.151 0.000 2.547 213 V HA 0.468 4.590 4.120 0.003 0.000 0.299 213 V C -0.249 175.737 176.094 -0.180 0.000 1.040 213 V CA -0.528 61.579 62.300 -0.322 0.000 0.913 213 V CB 1.376 32.876 31.823 -0.538 0.000 0.992 213 V HN 0.897 nan 8.190 nan 0.000 0.449 214 E N 4.151 124.261 120.200 -0.151 0.000 2.191 214 E HA 0.582 4.934 4.350 0.003 0.000 0.263 214 E C -1.539 175.050 176.600 -0.019 0.000 0.881 214 E CA -0.560 55.800 56.400 -0.066 0.000 0.757 214 E CB 2.289 31.965 29.700 -0.041 0.000 1.147 214 E HN 0.534 nan 8.360 nan 0.000 0.414 215 L N 2.600 123.823 121.223 0.001 0.000 2.325 215 L HA 0.491 4.833 4.340 0.003 0.000 0.281 215 L C -0.243 176.632 176.870 0.009 0.000 1.004 215 L CA -0.879 53.981 54.840 0.034 0.000 0.823 215 L CB 1.425 43.522 42.059 0.064 0.000 1.236 215 L HN 0.432 nan 8.230 nan 0.000 0.415 216 E N 1.701 121.903 120.200 0.004 0.000 2.183 216 E HA 0.340 4.692 4.350 0.003 0.000 0.271 216 E C 0.202 176.781 176.600 -0.034 0.000 0.919 216 E CA -0.388 56.003 56.400 -0.015 0.000 0.781 216 E CB 1.752 31.444 29.700 -0.013 0.000 1.140 216 E HN 0.505 nan 8.360 nan 0.000 0.402 217 S N 3.548 119.213 115.700 -0.059 0.000 3.614 217 S HA -0.097 4.375 4.470 0.003 0.000 0.360 217 S C -2.390 172.112 174.600 -0.162 0.000 1.023 217 S CA 0.413 58.543 58.200 -0.116 0.000 1.114 217 S CB -1.027 62.096 63.200 -0.128 0.000 0.907 217 S HN 0.540 nan 8.310 nan 0.000 0.470 218 P HA 0.305 nan 4.420 nan 0.000 0.276 218 P C 0.339 177.597 177.300 -0.070 0.000 1.230 218 P CA -0.348 62.731 63.100 -0.035 0.000 0.776 218 P CB 0.274 32.001 31.700 0.045 0.000 0.888 219 F N 2.293 122.267 119.950 0.041 0.000 2.440 219 F HA 0.295 4.824 4.527 0.003 0.000 0.323 219 F C 1.197 177.026 175.800 0.049 0.000 1.192 219 F CA 0.259 58.283 58.000 0.039 0.000 1.252 219 F CB 0.154 39.173 39.000 0.033 0.000 1.214 219 F HN 0.124 nan 8.300 nan 0.000 0.578 220 I N 3.067 123.802 120.570 0.274 0.000 2.500 220 I HA 0.249 4.421 4.170 0.003 0.000 0.286 220 I C -1.454 174.734 176.117 0.120 0.000 1.063 220 I CA -0.727 60.674 61.300 0.168 0.000 1.062 220 I CB 1.911 39.995 38.000 0.140 0.000 1.223 220 I HN 0.259 nan 8.210 nan 0.000 0.435 221 L N 8.006 129.284 121.223 0.091 0.000 2.317 221 L HA 0.676 5.018 4.340 0.003 0.000 0.281 221 L C -1.336 175.562 176.870 0.046 0.000 1.024 221 L CA -0.223 54.646 54.840 0.049 0.000 0.810 221 L CB 1.486 43.564 42.059 0.031 0.000 1.240 221 L HN 0.445 nan 8.230 nan 0.000 0.427 222 L N 5.514 126.753 121.223 0.026 0.000 2.376 222 L HA 0.870 5.212 4.340 0.003 0.000 0.275 222 L C -0.641 176.231 176.870 0.003 0.000 0.987 222 L CA -0.674 54.173 54.840 0.012 0.000 0.828 222 L CB 1.745 43.808 42.059 0.006 0.000 1.249 222 L HN 0.779 nan 8.230 nan 0.000 0.409 223 A N 1.210 124.030 122.820 -0.000 0.000 2.414 223 A HA 0.389 4.711 4.320 0.003 0.000 0.286 223 A C -0.436 177.145 177.584 -0.006 0.000 1.073 223 A CA -0.456 51.580 52.037 -0.001 0.000 0.727 223 A CB 1.262 20.265 19.000 0.005 0.000 1.215 223 A HN 0.729 nan 8.150 nan 0.000 0.430 224 D N 1.741 122.135 120.400 -0.009 0.000 2.413 224 D HA 0.211 4.852 4.640 0.003 0.000 0.237 224 D C 0.218 176.516 176.300 -0.003 0.000 1.171 224 D CA 0.440 54.434 54.000 -0.010 0.000 0.839 224 D CB -0.228 40.563 40.800 -0.014 0.000 0.950 224 D HN 0.532 nan 8.370 nan 0.000 0.499 225 K N -1.157 119.244 120.400 0.001 0.000 2.512 225 K HA 0.358 4.680 4.320 0.003 0.000 0.263 225 K C -0.816 175.790 176.600 0.010 0.000 0.966 225 K CA -1.057 55.233 56.287 0.006 0.000 0.851 225 K CB 0.682 33.184 32.500 0.004 0.000 1.395 225 K HN -0.113 nan 8.250 nan 0.000 0.440 226 K N 1.846 122.253 120.400 0.013 0.000 2.237 226 K HA 0.380 4.702 4.320 0.003 0.000 0.270 226 K C -0.635 175.974 176.600 0.016 0.000 1.015 226 K CA -0.424 55.873 56.287 0.017 0.000 0.949 226 K CB 0.451 32.963 32.500 0.019 0.000 0.976 226 K HN 0.640 nan 8.250 nan 0.000 0.472 227 I N 2.575 123.156 120.570 0.019 0.000 2.405 227 I HA 0.055 4.227 4.170 0.003 0.000 0.280 227 I C 0.406 176.533 176.117 0.017 0.000 1.027 227 I CA -0.453 60.857 61.300 0.016 0.000 1.161 227 I CB 1.763 39.773 38.000 0.017 0.000 1.300 227 I HN 0.779 nan 8.210 nan 0.000 0.463 228 S N 4.034 119.741 115.700 0.012 0.000 2.517 228 S HA 0.212 4.684 4.470 0.003 0.000 0.214 228 S C 0.360 174.963 174.600 0.006 0.000 0.991 228 S CA 0.269 58.475 58.200 0.011 0.000 0.906 228 S CB -0.084 63.121 63.200 0.009 0.000 0.789 228 S HN 0.674 nan 8.310 nan 0.000 0.513 229 N N 0.490 119.193 118.700 0.004 0.000 2.346 229 N HA 0.358 5.100 4.740 0.003 0.000 0.289 229 N C 0.066 175.574 175.510 -0.002 0.000 1.027 229 N CA -0.385 52.664 53.050 -0.001 0.000 0.864 229 N CB 1.578 40.064 38.487 -0.001 0.000 1.370 229 N HN -0.064 nan 8.380 nan 0.000 0.481 230 I N 2.249 122.816 120.570 -0.006 0.000 2.454 230 I HA -0.142 4.030 4.170 0.003 0.000 0.254 230 I C 2.355 178.466 176.117 -0.009 0.000 1.156 230 I CA 1.177 62.472 61.300 -0.008 0.000 1.433 230 I CB -0.290 37.702 38.000 -0.013 0.000 1.082 230 I HN 0.611 nan 8.210 nan 0.000 0.432 231 R N 0.847 121.342 120.500 -0.009 0.000 2.261 231 R HA -0.313 4.029 4.340 0.003 0.000 0.252 231 R C 1.919 178.213 176.300 -0.010 0.000 1.116 231 R CA 2.730 58.824 56.100 -0.009 0.000 0.942 231 R CB -0.527 29.769 30.300 -0.007 0.000 0.932 231 R HN 0.551 nan 8.270 nan 0.000 0.441 232 E N -0.822 119.373 120.200 -0.009 0.000 2.299 232 E HA -0.093 4.259 4.350 0.003 0.000 0.193 232 E C 1.991 178.583 176.600 -0.013 0.000 0.998 232 E CA 0.556 56.950 56.400 -0.010 0.000 0.851 232 E CB 0.068 29.764 29.700 -0.007 0.000 0.795 232 E HN 0.408 nan 8.360 nan 0.000 0.492 233 M N 0.507 120.099 119.600 -0.013 0.000 2.349 233 M HA -0.012 4.470 4.480 0.003 0.000 0.266 233 M C 2.211 178.497 176.300 -0.023 0.000 1.076 233 M CA 0.862 56.152 55.300 -0.016 0.000 1.126 233 M CB -0.579 32.014 32.600 -0.012 0.000 1.392 233 M HN 0.160 nan 8.290 nan 0.000 0.440 234 L N 0.044 121.254 121.223 -0.021 0.000 2.051 234 L HA -0.225 4.117 4.340 0.003 0.000 0.214 234 L C -0.353 176.501 176.870 -0.028 0.000 1.076 234 L CA 1.604 56.430 54.840 -0.023 0.000 0.758 234 L CB -2.476 39.572 42.059 -0.019 0.000 0.890 234 L HN 0.195 nan 8.230 nan 0.000 0.433 235 P HA -0.127 nan 4.420 nan 0.000 0.215 235 P C 1.978 179.245 177.300 -0.055 0.000 1.157 235 P CA 1.142 64.219 63.100 -0.038 0.000 0.868 235 P CB 0.029 31.707 31.700 -0.037 0.000 0.788 236 V N -0.563 119.313 119.914 -0.063 0.000 2.358 236 V HA -0.203 3.919 4.120 0.003 0.000 0.246 236 V C 2.478 178.525 176.094 -0.078 0.000 1.047 236 V CA 1.364 63.608 62.300 -0.093 0.000 1.035 236 V CB -1.166 30.605 31.823 -0.088 0.000 0.658 236 V HN 0.063 nan 8.190 nan 0.000 0.452 237 L N -0.023 121.172 121.223 -0.048 0.000 1.989 237 L HA -0.235 4.107 4.340 0.003 0.000 0.211 237 L C 2.710 179.563 176.870 -0.028 0.000 1.071 237 L CA 2.264 57.084 54.840 -0.032 0.000 0.749 237 L CB -0.247 41.797 42.059 -0.025 0.000 0.890 237 L HN 0.390 nan 8.230 nan 0.000 0.431 238 E N -0.177 120.006 120.200 -0.029 0.000 2.106 238 E HA -0.185 4.167 4.350 0.003 0.000 0.192 238 E C 1.928 178.514 176.600 -0.024 0.000 0.984 238 E CA 1.394 57.782 56.400 -0.021 0.000 0.806 238 E CB -0.104 29.584 29.700 -0.020 0.000 0.750 238 E HN 0.480 nan 8.360 nan 0.000 0.458 239 A N -0.020 122.773 122.820 -0.045 0.000 1.902 239 A HA -0.114 4.208 4.320 0.003 0.000 0.217 239 A C 2.437 179.991 177.584 -0.050 0.000 1.181 239 A CA 1.613 53.615 52.037 -0.058 0.000 0.623 239 A CB -0.623 18.317 19.000 -0.100 0.000 0.818 239 A HN 0.205 nan 8.150 nan 0.000 0.443 240 V N -0.342 119.534 119.914 -0.063 0.000 2.548 240 V HA -0.136 3.986 4.120 0.003 0.000 0.249 240 V C 2.969 179.107 176.094 0.073 0.000 1.055 240 V CA 1.504 63.813 62.300 0.016 0.000 1.065 240 V CB -0.991 30.831 31.823 -0.002 0.000 0.681 240 V HN 0.600 nan 8.190 nan 0.000 0.462 241 A N 0.081 122.920 122.820 0.031 0.000 1.902 241 A HA -0.230 4.092 4.320 0.003 0.000 0.217 241 A C 2.262 179.868 177.584 0.036 0.000 1.181 241 A CA 1.808 53.863 52.037 0.030 0.000 0.623 241 A CB -0.408 18.598 19.000 0.009 0.000 0.818 241 A HN 0.523 nan 8.150 nan 0.000 0.443 242 K N -0.453 119.966 120.400 0.032 0.000 2.280 242 K HA -0.016 4.306 4.320 0.003 0.000 0.202 242 K C 1.943 178.579 176.600 0.060 0.000 1.047 242 K CA 0.970 57.278 56.287 0.036 0.000 0.942 242 K CB -0.197 32.317 32.500 0.024 0.000 0.739 242 K HN 0.469 nan 8.250 nan 0.000 0.457 243 A N 0.075 122.954 122.820 0.099 0.000 2.095 243 A HA 0.204 4.526 4.320 0.003 0.000 0.212 243 A C 1.755 179.406 177.584 0.113 0.000 1.162 243 A CA 0.954 53.078 52.037 0.145 0.000 0.753 243 A CB -0.192 18.993 19.000 0.308 0.000 0.840 243 A HN 0.369 nan 8.150 nan 0.000 0.468 244 G N -0.296 108.562 108.800 0.097 0.000 2.353 244 G HA2 -0.355 3.607 3.960 0.003 0.000 0.258 244 G HA3 -0.355 3.607 3.960 0.003 0.000 0.258 244 G C 0.490 175.436 174.900 0.076 0.000 1.013 244 G CA 0.975 46.116 45.100 0.068 0.000 0.622 244 G HN 0.616 nan 8.290 nan 0.000 0.535 245 K N 1.663 122.123 120.400 0.100 0.000 2.380 245 K HA 0.376 4.698 4.320 0.003 0.000 0.267 245 K C -1.911 174.762 176.600 0.122 0.000 0.990 245 K CA -1.029 55.288 56.287 0.049 0.000 0.946 245 K CB 0.373 32.797 32.500 -0.127 0.000 0.937 245 K HN 0.155 nan 8.250 nan 0.000 0.491 246 P HA 0.035 nan 4.420 nan 0.000 0.271 246 P C -1.280 176.139 177.300 0.198 0.000 1.244 246 P CA -0.349 62.830 63.100 0.130 0.000 0.793 246 P CB 0.446 32.214 31.700 0.113 0.000 0.984 247 L N 0.925 122.264 121.223 0.193 0.000 2.470 247 L HA 0.493 4.835 4.340 0.003 0.000 0.268 247 L C -1.651 175.327 176.870 0.180 0.000 0.964 247 L CA -0.872 54.093 54.840 0.209 0.000 0.839 247 L CB 1.624 43.787 42.059 0.173 0.000 1.276 247 L HN 0.088 nan 8.230 nan 0.000 0.403 248 L N 5.872 127.199 121.223 0.174 0.000 2.290 248 L HA 0.596 4.938 4.340 0.003 0.000 0.284 248 L C -0.953 176.004 176.870 0.145 0.000 1.078 248 L CA 0.302 55.242 54.840 0.166 0.000 0.815 248 L CB 0.821 42.976 42.059 0.160 0.000 1.162 248 L HN 0.572 nan 8.230 nan 0.000 0.435 249 I N 6.858 127.511 120.570 0.138 0.000 2.371 249 I HA 0.288 4.460 4.170 0.003 0.000 0.282 249 I C -0.123 176.060 176.117 0.109 0.000 1.031 249 I CA 0.103 61.466 61.300 0.106 0.000 1.180 249 I CB 0.862 38.915 38.000 0.087 0.000 1.336 249 I HN 0.439 nan 8.210 nan 0.000 0.467 250 I N 6.224 126.848 120.570 0.090 0.000 2.191 250 I HA 0.428 4.600 4.170 0.003 0.000 0.289 250 I C 0.691 176.823 176.117 0.026 0.000 1.141 250 I CA -0.211 61.126 61.300 0.061 0.000 1.430 250 I CB -0.081 37.937 38.000 0.031 0.000 1.497 250 I HN 0.591 nan 8.210 nan 0.000 0.636 251 A N 3.208 126.051 122.820 0.038 0.000 2.279 251 A HA 0.277 4.599 4.320 0.003 0.000 0.303 251 A C 1.279 178.874 177.584 0.019 0.000 1.108 251 A CA -0.477 51.575 52.037 0.025 0.000 0.830 251 A CB 0.908 19.928 19.000 0.033 0.000 1.106 251 A HN 0.687 nan 8.150 nan 0.000 0.493 252 E N -0.211 119.996 120.200 0.012 0.000 2.118 252 E HA -0.172 4.180 4.350 0.003 0.000 0.195 252 E C -0.154 176.463 176.600 0.028 0.000 0.992 252 E CA 1.637 58.045 56.400 0.013 0.000 0.804 252 E CB 0.181 29.887 29.700 0.010 0.000 0.741 252 E HN 0.692 nan 8.360 nan 0.000 0.458 253 D N -1.836 118.583 120.400 0.032 0.000 2.622 253 D HA 0.289 4.931 4.640 0.003 0.000 0.255 253 D C -1.834 174.492 176.300 0.043 0.000 1.246 253 D CA -0.581 53.444 54.000 0.042 0.000 0.795 253 D CB 2.272 43.095 40.800 0.038 0.000 1.369 253 D HN -0.127 nan 8.370 nan 0.000 0.425 254 V N 1.820 121.766 119.914 0.053 0.000 2.623 254 V HA 0.637 4.758 4.120 0.003 0.000 0.304 254 V C -0.317 175.808 176.094 0.052 0.000 1.054 254 V CA -0.616 61.715 62.300 0.051 0.000 0.882 254 V CB 1.714 33.574 31.823 0.062 0.000 1.002 254 V HN 0.689 nan 8.190 nan 0.000 0.424 255 E N 2.704 122.927 120.200 0.039 0.000 2.425 255 E HA 0.776 5.128 4.350 0.003 0.000 0.272 255 E C 0.327 176.940 176.600 0.022 0.000 1.061 255 E CA -0.417 56.004 56.400 0.035 0.000 0.877 255 E CB 1.289 31.008 29.700 0.032 0.000 1.590 255 E HN 1.265 nan 8.360 nan 0.000 0.462 256 G N 1.128 109.938 108.800 0.017 0.000 2.566 256 G HA2 -0.414 3.548 3.960 0.003 0.000 0.280 256 G HA3 -0.414 3.548 3.960 0.003 0.000 0.280 256 G C 0.627 175.527 174.900 0.000 0.000 1.225 256 G CA 0.975 46.079 45.100 0.007 0.000 0.966 256 G HN 0.860 nan 8.290 nan 0.000 0.560 257 E N 0.435 120.632 120.200 -0.004 0.000 2.358 257 E HA 0.461 4.813 4.350 0.003 0.000 0.195 257 E C 2.584 179.178 176.600 -0.011 0.000 1.010 257 E CA 1.931 58.324 56.400 -0.011 0.000 0.856 257 E CB -0.545 29.148 29.700 -0.012 0.000 0.795 257 E HN 1.222 nan 8.360 nan 0.000 0.504 258 A N 1.489 124.306 122.820 -0.004 0.000 1.865 258 A HA -0.142 4.180 4.320 0.003 0.000 0.217 258 A C 2.176 179.760 177.584 -0.000 0.000 1.191 258 A CA 1.587 53.623 52.037 -0.001 0.000 0.623 258 A CB -0.872 18.131 19.000 0.006 0.000 0.826 258 A HN 0.317 nan 8.150 nan 0.000 0.444 259 L N -0.225 121.003 121.223 0.008 0.000 1.989 259 L HA -0.117 4.225 4.340 0.003 0.000 0.211 259 L C 2.740 179.603 176.870 -0.011 0.000 1.071 259 L CA 2.368 57.217 54.840 0.015 0.000 0.749 259 L CB -0.943 41.135 42.059 0.032 0.000 0.890 259 L HN 0.388 nan 8.230 nan 0.000 0.431 260 A N -1.009 121.795 122.820 -0.027 0.000 1.851 260 A HA -0.287 4.035 4.320 0.003 0.000 0.216 260 A C 2.365 179.916 177.584 -0.054 0.000 1.195 260 A CA 3.105 55.111 52.037 -0.052 0.000 0.622 260 A CB -1.567 17.403 19.000 -0.049 0.000 0.831 260 A HN 0.632 nan 8.150 nan 0.000 0.444 261 T N -1.486 113.044 114.554 -0.041 0.000 2.833 261 T HA -0.042 4.310 4.350 0.003 0.000 0.269 261 T C 1.817 176.487 174.700 -0.049 0.000 1.054 261 T CA 1.432 63.507 62.100 -0.042 0.000 1.135 261 T CB -0.547 68.302 68.868 -0.031 0.000 0.869 261 T HN 0.286 nan 8.240 nan 0.000 0.466 262 L N 0.535 121.731 121.223 -0.044 0.000 2.027 262 L HA -0.015 4.327 4.340 0.003 0.000 0.206 262 L C 2.972 179.784 176.870 -0.097 0.000 1.074 262 L CA 0.807 55.614 54.840 -0.055 0.000 0.745 262 L CB -0.635 41.409 42.059 -0.025 0.000 0.898 262 L HN 0.153 nan 8.230 nan 0.000 0.433 263 V N -0.657 119.206 119.914 -0.085 0.000 2.343 263 V HA -0.241 3.881 4.120 0.003 0.000 0.247 263 V C 2.430 178.444 176.094 -0.132 0.000 1.051 263 V CA 1.410 63.641 62.300 -0.115 0.000 1.036 263 V CB -0.159 31.621 31.823 -0.072 0.000 0.654 263 V HN 0.192 nan 8.190 nan 0.000 0.451 264 V N 0.332 120.184 119.914 -0.103 0.000 2.295 264 V HA -0.261 3.861 4.120 0.003 0.000 0.246 264 V C 2.292 178.329 176.094 -0.095 0.000 1.049 264 V CA 2.146 64.392 62.300 -0.090 0.000 1.024 264 V CB -0.810 30.972 31.823 -0.070 0.000 0.648 264 V HN 0.593 nan 8.190 nan 0.000 0.447 265 N N -0.245 118.398 118.700 -0.096 0.000 2.289 265 N HA -0.137 4.605 4.740 0.003 0.000 0.184 265 N C 1.804 177.234 175.510 -0.134 0.000 1.016 265 N CA 1.910 54.904 53.050 -0.093 0.000 0.872 265 N CB -0.003 38.439 38.487 -0.075 0.000 0.973 265 N HN 0.510 nan 8.380 nan 0.000 0.433 266 T N 1.147 115.569 114.554 -0.219 0.000 2.814 266 T HA 0.020 4.372 4.350 0.003 0.000 0.254 266 T C 1.927 176.469 174.700 -0.264 0.000 1.037 266 T CA 0.322 62.201 62.100 -0.368 0.000 1.143 266 T CB 0.016 68.438 68.868 -0.744 0.000 0.866 266 T HN 0.169 nan 8.240 nan 0.000 0.431 267 M N 0.775 120.260 119.600 -0.191 0.000 2.149 267 M HA -0.076 4.406 4.480 0.003 0.000 0.261 267 M C 1.884 178.150 176.300 -0.057 0.000 1.064 267 M CA 1.546 56.792 55.300 -0.091 0.000 1.102 267 M CB 0.016 32.574 32.600 -0.070 0.000 1.369 267 M HN -0.068 nan 8.290 nan 0.000 0.408 268 R N 0.137 120.598 120.500 -0.065 0.000 2.388 268 R HA 0.189 4.531 4.340 0.003 0.000 0.247 268 R C 0.848 177.127 176.300 -0.036 0.000 0.931 268 R CA 0.712 56.787 56.100 -0.042 0.000 1.082 268 R CB -0.812 29.464 30.300 -0.039 0.000 1.135 268 R HN 0.596 nan 8.270 nan 0.000 0.525 269 G N 0.384 109.156 108.800 -0.047 0.000 2.148 269 G HA2 -0.263 3.699 3.960 0.003 0.000 0.254 269 G HA3 -0.263 3.699 3.960 0.003 0.000 0.254 269 G C 0.717 175.603 174.900 -0.023 0.000 0.981 269 G CA 0.486 45.570 45.100 -0.027 0.000 0.670 269 G HN 0.257 nan 8.290 nan 0.000 0.528 270 I N 0.085 120.635 120.570 -0.034 0.000 2.162 270 I HA 0.086 4.258 4.170 0.003 0.000 0.238 270 I C 1.584 177.694 176.117 -0.012 0.000 1.076 270 I CA 2.182 63.470 61.300 -0.021 0.000 1.353 270 I CB -1.425 36.559 38.000 -0.027 0.000 1.063 270 I HN 0.629 nan 8.210 nan 0.000 0.408 271 V N -1.375 118.522 119.914 -0.030 0.000 2.668 271 V HA 0.416 4.538 4.120 0.003 0.000 0.304 271 V C -0.242 175.819 176.094 -0.055 0.000 1.071 271 V CA -1.190 61.103 62.300 -0.011 0.000 0.894 271 V CB 1.671 33.499 31.823 0.008 0.000 1.008 271 V HN 0.121 nan 8.190 nan 0.000 0.425 272 K N 3.575 123.967 120.400 -0.012 0.000 2.121 272 K HA 0.316 4.638 4.320 0.003 0.000 0.235 272 K C 0.050 176.671 176.600 0.035 0.000 1.200 272 K CA -0.135 56.137 56.287 -0.025 0.000 1.115 272 K CB 0.674 33.278 32.500 0.174 0.000 1.474 272 K HN 0.870 nan 8.250 nan 0.000 0.295 273 V N 0.083 119.945 119.914 -0.086 0.000 2.322 273 V HA 0.378 4.500 4.120 0.003 0.000 0.258 273 V C 0.316 176.472 176.094 0.104 0.000 1.074 273 V CA -1.001 61.310 62.300 0.019 0.000 0.909 273 V CB 0.660 32.474 31.823 -0.015 0.000 1.090 273 V HN 0.455 nan 8.190 nan 0.000 0.486 274 A N 4.777 127.764 122.820 0.278 0.000 2.391 274 A HA 0.789 5.111 4.320 0.003 0.000 0.316 274 A C 0.753 178.486 177.584 0.248 0.000 1.381 274 A CA 0.135 52.406 52.037 0.390 0.000 0.998 274 A CB -0.098 19.126 19.000 0.373 0.000 1.147 274 A HN 1.672 nan 8.150 nan 0.000 0.545 275 A N 2.659 125.616 122.820 0.227 0.000 2.362 275 A HA 0.577 4.899 4.320 0.003 0.000 0.276 275 A C 0.260 177.963 177.584 0.198 0.000 1.153 275 A CA 0.067 52.211 52.037 0.177 0.000 0.813 275 A CB 0.045 19.131 19.000 0.142 0.000 1.081 275 A HN 1.992 nan 8.150 nan 0.000 0.507 276 V N 0.459 120.476 119.914 0.173 0.000 2.876 276 V HA 0.579 4.701 4.120 0.003 0.000 0.312 276 V C -0.427 175.743 176.094 0.127 0.000 1.085 276 V CA -1.273 61.131 62.300 0.173 0.000 0.945 276 V CB 1.645 33.605 31.823 0.228 0.000 1.017 276 V HN 0.809 nan 8.190 nan 0.000 0.428 277 K N 2.868 123.334 120.400 0.109 0.000 2.350 277 K HA 0.573 4.895 4.320 0.003 0.000 0.279 277 K C 0.448 177.070 176.600 0.036 0.000 1.027 277 K CA 0.299 56.629 56.287 0.071 0.000 0.969 277 K CB 1.335 33.876 32.500 0.067 0.000 0.954 277 K HN 1.108 nan 8.250 nan 0.000 0.474 278 A N 5.663 128.478 122.820 -0.009 0.000 2.524 278 A HA 0.139 4.461 4.320 0.003 0.000 0.250 278 A C -1.915 175.599 177.584 -0.117 0.000 1.078 278 A CA -1.003 50.978 52.037 -0.093 0.000 0.761 278 A CB -0.498 18.456 19.000 -0.076 0.000 1.012 278 A HN 0.440 nan 8.150 nan 0.000 0.500 279 P HA 0.417 nan 4.420 nan 0.000 0.275 279 P C 0.763 177.995 177.300 -0.114 0.000 1.228 279 P CA 1.348 64.338 63.100 -0.183 0.000 0.786 279 P CB 0.862 32.312 31.700 -0.417 0.000 0.927 280 G N 1.763 110.553 108.800 -0.016 0.000 2.593 280 G HA2 -0.021 3.941 3.960 0.003 0.000 0.237 280 G HA3 -0.021 3.941 3.960 0.003 0.000 0.237 280 G C -0.945 174.003 174.900 0.079 0.000 1.312 280 G CA -0.044 45.011 45.100 -0.074 0.000 0.896 280 G HN 0.724 nan 8.290 nan 0.000 0.574 281 F N -2.665 117.286 119.950 0.002 0.000 2.693 281 F HA 0.745 5.274 4.527 0.003 0.000 0.309 281 F C 0.770 176.577 175.800 0.012 0.000 1.129 281 F CA 0.052 58.056 58.000 0.007 0.000 0.948 281 F CB 0.939 39.949 39.000 0.015 0.000 1.315 281 F HN 2.509 nan 8.300 nan 0.000 0.447 282 G N 1.451 110.363 108.800 0.185 0.000 2.692 282 G HA2 -0.251 3.711 3.960 0.003 0.000 0.248 282 G HA3 -0.251 3.711 3.960 0.003 0.000 0.248 282 G C 0.066 174.964 174.900 -0.003 0.000 1.340 282 G CA 0.340 45.489 45.100 0.083 0.000 0.896 282 G HN 0.948 nan 8.290 nan 0.000 0.570 283 D N -0.007 120.384 120.400 -0.015 0.000 2.378 283 D HA -0.053 4.589 4.640 0.003 0.000 0.222 283 D C 2.268 178.523 176.300 -0.075 0.000 0.980 283 D CA 0.816 54.794 54.000 -0.037 0.000 0.907 283 D CB -0.084 40.701 40.800 -0.024 0.000 0.899 283 D HN 0.510 nan 8.370 nan 0.000 0.527 284 R N 1.147 121.577 120.500 -0.117 0.000 2.127 284 R HA -0.153 4.189 4.340 0.003 0.000 0.238 284 R C 2.191 178.399 176.300 -0.154 0.000 1.134 284 R CA 0.995 56.996 56.100 -0.166 0.000 0.975 284 R CB 0.033 30.174 30.300 -0.264 0.000 0.865 284 R HN 0.065 nan 8.270 nan 0.000 0.447 285 R N 0.830 121.250 120.500 -0.134 0.000 2.082 285 R HA -0.156 4.186 4.340 0.003 0.000 0.234 285 R C 1.933 178.174 176.300 -0.099 0.000 1.136 285 R CA 2.079 58.111 56.100 -0.113 0.000 0.935 285 R CB -0.105 30.156 30.300 -0.065 0.000 0.842 285 R HN 0.176 nan 8.270 nan 0.000 0.430 286 K N 0.018 120.376 120.400 -0.070 0.000 2.074 286 K HA -0.166 4.156 4.320 0.003 0.000 0.209 286 K C 2.164 178.725 176.600 -0.064 0.000 1.048 286 K CA 1.506 57.759 56.287 -0.057 0.000 0.926 286 K CB -0.249 32.227 32.500 -0.040 0.000 0.713 286 K HN 0.284 nan 8.250 nan 0.000 0.444 287 A N 1.736 124.514 122.820 -0.071 0.000 1.851 287 A HA -0.194 4.128 4.320 0.003 0.000 0.216 287 A C 2.213 179.751 177.584 -0.076 0.000 1.195 287 A CA 1.818 53.813 52.037 -0.070 0.000 0.622 287 A CB -0.572 18.381 19.000 -0.078 0.000 0.831 287 A HN 0.193 nan 8.150 nan 0.000 0.444 288 M N -1.393 118.147 119.600 -0.101 0.000 2.213 288 M HA -0.106 4.376 4.480 0.003 0.000 0.263 288 M C 2.167 178.395 176.300 -0.121 0.000 1.062 288 M CA 1.132 56.365 55.300 -0.111 0.000 1.105 288 M CB -0.402 32.106 32.600 -0.153 0.000 1.385 288 M HN 0.435 nan 8.290 nan 0.000 0.417 289 L N 0.549 121.697 121.223 -0.124 0.000 2.056 289 L HA -0.199 4.143 4.340 0.003 0.000 0.207 289 L C 2.491 179.326 176.870 -0.058 0.000 1.078 289 L CA 1.895 56.672 54.840 -0.105 0.000 0.749 289 L CB -0.617 41.385 42.059 -0.095 0.000 0.901 289 L HN 0.243 nan 8.230 nan 0.000 0.433 290 Q N -0.554 119.217 119.800 -0.047 0.000 2.172 290 Q HA -0.173 4.169 4.340 0.003 0.000 0.200 290 Q C 1.729 177.716 176.000 -0.021 0.000 0.964 290 Q CA 1.761 57.547 55.803 -0.029 0.000 0.855 290 Q CB -0.239 28.482 28.738 -0.028 0.000 0.918 290 Q HN 0.527 nan 8.270 nan 0.000 0.444 291 D N -0.060 120.323 120.400 -0.027 0.000 2.117 291 D HA -0.141 4.501 4.640 0.003 0.000 0.197 291 D C 1.849 178.151 176.300 0.004 0.000 0.987 291 D CA 1.294 55.285 54.000 -0.014 0.000 0.829 291 D CB -0.156 40.632 40.800 -0.019 0.000 0.961 291 D HN 0.375 nan 8.370 nan 0.000 0.460 292 I N 1.393 121.965 120.570 0.002 0.000 2.226 292 I HA -0.257 3.915 4.170 0.003 0.000 0.245 292 I C 2.546 178.681 176.117 0.030 0.000 1.100 292 I CA 1.032 62.351 61.300 0.031 0.000 1.374 292 I CB -0.235 37.782 38.000 0.028 0.000 1.057 292 I HN -0.082 nan 8.210 nan 0.000 0.413 293 A N 0.370 123.198 122.820 0.014 0.000 1.908 293 A HA -0.222 4.100 4.320 0.003 0.000 0.218 293 A C 2.392 179.988 177.584 0.020 0.000 1.181 293 A CA 2.579 54.626 52.037 0.018 0.000 0.627 293 A CB -1.136 17.867 19.000 0.006 0.000 0.818 293 A HN 0.405 nan 8.150 nan 0.000 0.445 294 T N -0.154 114.408 114.554 0.014 0.000 2.821 294 T HA -0.081 4.271 4.350 0.003 0.000 0.267 294 T C 1.782 176.494 174.700 0.020 0.000 1.046 294 T CA 1.338 63.447 62.100 0.014 0.000 1.139 294 T CB -0.281 68.591 68.868 0.007 0.000 0.871 294 T HN 0.299 nan 8.240 nan 0.000 0.454 295 L N 1.886 123.124 121.223 0.025 0.000 2.141 295 L HA -0.028 4.313 4.340 0.003 0.000 0.209 295 L C 2.429 179.320 176.870 0.035 0.000 1.094 295 L CA 1.903 56.761 54.840 0.030 0.000 0.763 295 L CB -0.770 41.312 42.059 0.038 0.000 0.908 295 L HN 0.412 nan 8.230 nan 0.000 0.437 296 T N -4.930 109.650 114.554 0.043 0.000 3.014 296 T HA 0.365 4.717 4.350 0.003 0.000 0.250 296 T C 1.307 176.039 174.700 0.053 0.000 1.060 296 T CA 0.276 62.407 62.100 0.052 0.000 1.040 296 T CB 0.106 69.015 68.868 0.068 0.000 0.971 296 T HN 0.555 nan 8.240 nan 0.000 0.497 297 G N 0.596 109.423 108.800 0.044 0.000 2.203 297 G HA2 0.160 4.122 3.960 0.003 0.000 0.231 297 G HA3 0.160 4.122 3.960 0.003 0.000 0.231 297 G C 0.227 175.156 174.900 0.048 0.000 1.058 297 G CA -0.261 44.865 45.100 0.043 0.000 0.781 297 G HN 1.021 nan 8.290 nan 0.000 0.496 298 G N -1.505 107.321 108.800 0.043 0.000 2.735 298 G HA2 0.805 4.767 3.960 0.003 0.000 0.301 298 G HA3 0.805 4.767 3.960 0.003 0.000 0.301 298 G C -0.383 174.530 174.900 0.021 0.000 1.279 298 G CA 0.109 45.231 45.100 0.037 0.000 1.019 298 G HN 0.593 nan 8.290 nan 0.000 0.497 299 T N 0.203 114.765 114.554 0.013 0.000 2.824 299 T HA 0.419 4.771 4.350 0.003 0.000 0.280 299 T C -0.010 174.691 174.700 0.002 0.000 0.995 299 T CA -0.255 61.847 62.100 0.004 0.000 1.009 299 T CB 1.731 70.598 68.868 -0.001 0.000 0.955 299 T HN 0.287 nan 8.240 nan 0.000 0.452 300 V N 4.501 124.413 119.914 -0.003 0.000 2.405 300 V HA 0.170 4.292 4.120 0.003 0.000 0.264 300 V C 0.139 176.229 176.094 -0.008 0.000 1.048 300 V CA -0.532 61.763 62.300 -0.008 0.000 0.966 300 V CB -0.220 31.594 31.823 -0.014 0.000 1.015 300 V HN 0.688 nan 8.190 nan 0.000 0.477 301 I N 4.987 125.553 120.570 -0.007 0.000 2.421 301 I HA 0.145 4.317 4.170 0.003 0.000 0.291 301 I C 0.707 176.820 176.117 -0.007 0.000 1.089 301 I CA 1.035 62.330 61.300 -0.007 0.000 1.354 301 I CB 1.019 39.014 38.000 -0.007 0.000 1.413 301 I HN 0.568 nan 8.210 nan 0.000 0.513 302 S N 5.266 120.962 115.700 -0.007 0.000 2.669 302 S HA 0.251 4.723 4.470 0.003 0.000 0.315 302 S C 0.951 175.548 174.600 -0.005 0.000 1.106 302 S CA -0.645 57.551 58.200 -0.007 0.000 1.107 302 S CB 0.502 63.697 63.200 -0.009 0.000 0.990 302 S HN 0.736 nan 8.310 nan 0.000 0.471 303 E N 3.033 123.231 120.200 -0.003 0.000 2.338 303 E HA -0.094 4.258 4.350 0.003 0.000 0.197 303 E C 1.031 177.630 176.600 -0.002 0.000 1.007 303 E CA 0.892 57.291 56.400 -0.002 0.000 0.849 303 E CB 0.156 29.856 29.700 -0.001 0.000 0.774 303 E HN 0.800 nan 8.360 nan 0.000 0.506 304 E N 0.047 120.246 120.200 -0.002 0.000 2.409 304 E HA -0.123 4.229 4.350 0.003 0.000 0.198 304 E C 1.458 178.057 176.600 -0.002 0.000 1.024 304 E CA 0.792 57.191 56.400 -0.001 0.000 0.861 304 E CB -0.046 29.653 29.700 -0.001 0.000 0.788 304 E HN 0.524 nan 8.360 nan 0.000 0.521 305 I N -4.792 115.776 120.570 -0.004 0.000 3.833 305 I HA 0.485 4.657 4.170 0.003 0.000 0.328 305 I C 0.854 176.968 176.117 -0.004 0.000 1.554 305 I CA -0.157 61.141 61.300 -0.004 0.000 1.116 305 I CB 0.817 38.814 38.000 -0.005 0.000 1.182 305 I HN -0.004 nan 8.210 nan 0.000 0.459 306 G N 1.700 110.498 108.800 -0.003 0.000 2.141 306 G HA2 -0.218 3.744 3.960 0.003 0.000 0.231 306 G HA3 -0.218 3.744 3.960 0.003 0.000 0.231 306 G C 0.087 174.985 174.900 -0.004 0.000 0.984 306 G CA -0.077 45.021 45.100 -0.003 0.000 0.660 306 G HN 0.394 nan 8.290 nan 0.000 0.525 307 M N 1.359 120.956 119.600 -0.005 0.000 2.188 307 M HA 0.300 4.782 4.480 0.003 0.000 0.354 307 M C 0.565 176.862 176.300 -0.005 0.000 1.342 307 M CA 0.236 55.533 55.300 -0.006 0.000 1.117 307 M CB 0.452 33.048 32.600 -0.006 0.000 1.670 307 M HN 0.233 nan 8.290 nan 0.000 0.466 308 E N 1.817 122.013 120.200 -0.006 0.000 2.383 308 E HA 0.005 4.357 4.350 0.003 0.000 0.264 308 E C 0.434 177.029 176.600 -0.008 0.000 1.050 308 E CA -0.362 56.034 56.400 -0.007 0.000 0.896 308 E CB 1.104 30.799 29.700 -0.008 0.000 0.982 308 E HN 0.527 nan 8.360 nan 0.000 0.424 309 L N 2.728 123.946 121.223 -0.008 0.000 2.375 309 L HA -0.019 4.323 4.340 0.003 0.000 0.215 309 L C 1.312 178.174 176.870 -0.014 0.000 1.108 309 L CA 1.281 56.115 54.840 -0.010 0.000 0.830 309 L CB -0.098 41.957 42.059 -0.007 0.000 0.959 309 L HN 0.530 nan 8.230 nan 0.000 0.457 310 E N 0.818 121.011 120.200 -0.012 0.000 2.516 310 E HA -0.208 4.144 4.350 0.003 0.000 0.206 310 E C 0.599 177.189 176.600 -0.016 0.000 1.107 310 E CA 0.901 57.293 56.400 -0.013 0.000 0.903 310 E CB -0.128 29.566 29.700 -0.011 0.000 0.838 310 E HN 0.625 nan 8.360 nan 0.000 0.574 311 K N -1.816 118.573 120.400 -0.018 0.000 2.637 311 K HA 0.335 4.657 4.320 0.003 0.000 0.184 311 K C -0.083 176.502 176.600 -0.025 0.000 1.200 311 K CA -0.261 56.013 56.287 -0.021 0.000 1.122 311 K CB 0.438 32.928 32.500 -0.016 0.000 0.926 311 K HN -0.027 nan 8.250 nan 0.000 0.535 312 A N 1.718 124.521 122.820 -0.029 0.000 2.483 312 A HA 0.368 4.690 4.320 0.003 0.000 0.238 312 A C 0.484 178.037 177.584 -0.052 0.000 1.070 312 A CA 0.607 52.622 52.037 -0.036 0.000 0.770 312 A CB 0.158 19.137 19.000 -0.034 0.000 1.008 312 A HN 0.530 nan 8.150 nan 0.000 0.497 313 T N -0.649 113.870 114.554 -0.057 0.000 2.883 313 T HA 0.536 4.888 4.350 0.003 0.000 0.284 313 T C 0.950 175.586 174.700 -0.108 0.000 1.041 313 T CA -0.661 61.396 62.100 -0.072 0.000 1.007 313 T CB 0.525 69.365 68.868 -0.047 0.000 1.220 313 T HN 0.359 nan 8.240 nan 0.000 0.552 314 L N -0.051 121.095 121.223 -0.127 0.000 2.353 314 L HA 0.023 4.365 4.340 0.003 0.000 0.220 314 L C 2.719 179.551 176.870 -0.063 0.000 1.133 314 L CA 1.327 56.067 54.840 -0.166 0.000 0.798 314 L CB -0.572 41.404 42.059 -0.138 0.000 0.922 314 L HN 0.780 nan 8.230 nan 0.000 0.445 315 E N 0.558 120.739 120.200 -0.032 0.000 2.152 315 E HA -0.188 4.164 4.350 0.003 0.000 0.192 315 E C 1.601 178.201 176.600 -0.001 0.000 0.983 315 E CA 1.141 57.539 56.400 -0.002 0.000 0.818 315 E CB 0.063 29.762 29.700 -0.002 0.000 0.758 315 E HN 0.383 nan 8.360 nan 0.000 0.467 316 D N -0.168 120.220 120.400 -0.020 0.000 2.317 316 D HA -0.021 4.620 4.640 0.003 0.000 0.211 316 D C 0.157 176.454 176.300 -0.005 0.000 0.966 316 D CA 0.226 54.218 54.000 -0.013 0.000 0.876 316 D CB 0.219 41.006 40.800 -0.023 0.000 0.927 316 D HN 0.252 nan 8.370 nan 0.000 0.519 317 L N 1.302 122.515 121.223 -0.018 0.000 2.367 317 L HA 0.267 4.608 4.340 0.003 0.000 0.275 317 L C 1.322 178.258 176.870 0.109 0.000 1.129 317 L CA -0.490 54.366 54.840 0.026 0.000 0.839 317 L CB 1.111 43.125 42.059 -0.075 0.000 1.133 317 L HN -0.132 nan 8.230 nan 0.000 0.453 318 G N 2.582 111.455 108.800 0.123 0.000 2.547 318 G HA2 0.540 4.502 3.960 0.003 0.000 0.291 318 G HA3 0.540 4.502 3.960 0.003 0.000 0.291 318 G C -0.798 174.209 174.900 0.178 0.000 1.211 318 G CA -0.333 44.843 45.100 0.127 0.000 0.950 318 G HN 0.631 nan 8.290 nan 0.000 0.504 319 Q N -1.712 118.157 119.800 0.115 0.000 2.511 319 Q HA 0.627 4.969 4.340 0.003 0.000 0.289 319 Q C -0.892 175.129 176.000 0.035 0.000 1.021 319 Q CA -0.870 54.972 55.803 0.067 0.000 0.785 319 Q CB 2.596 31.343 28.738 0.015 0.000 1.472 319 Q HN 0.864 nan 8.270 nan 0.000 0.411 320 A N 0.408 123.233 122.820 0.008 0.000 2.602 320 A HA 0.432 4.754 4.320 0.003 0.000 0.290 320 A C -0.278 177.293 177.584 -0.022 0.000 1.114 320 A CA -0.548 51.490 52.037 0.002 0.000 0.683 320 A CB 1.641 20.652 19.000 0.019 0.000 1.281 320 A HN 0.732 nan 8.150 nan 0.000 0.416 321 K N -0.401 119.988 120.400 -0.020 0.000 1.984 321 K HA 0.025 4.347 4.320 0.003 0.000 0.209 321 K C 0.314 176.898 176.600 -0.026 0.000 1.046 321 K CA 1.192 57.462 56.287 -0.028 0.000 0.934 321 K CB -0.010 32.477 32.500 -0.022 0.000 0.717 321 K HN 0.606 nan 8.250 nan 0.000 0.438 322 R N -0.047 120.442 120.500 -0.018 0.000 2.744 322 R HA 0.429 4.771 4.340 0.003 0.000 0.279 322 R C -1.600 174.693 176.300 -0.012 0.000 0.977 322 R CA -0.799 55.291 56.100 -0.016 0.000 0.906 322 R CB 2.685 32.974 30.300 -0.020 0.000 1.197 322 R HN -0.090 nan 8.270 nan 0.000 0.463 323 V N 2.904 122.813 119.914 -0.009 0.000 2.588 323 V HA 0.470 4.592 4.120 0.003 0.000 0.304 323 V C -0.694 175.383 176.094 -0.028 0.000 1.042 323 V CA -0.739 61.554 62.300 -0.013 0.000 0.877 323 V CB 2.181 34.015 31.823 0.018 0.000 0.996 323 V HN 0.433 nan 8.190 nan 0.000 0.425 324 V N 6.223 126.105 119.914 -0.052 0.000 2.540 324 V HA 0.625 4.747 4.120 0.003 0.000 0.302 324 V C -0.502 175.547 176.094 -0.074 0.000 1.035 324 V CA -0.435 61.829 62.300 -0.060 0.000 0.873 324 V CB 1.883 33.670 31.823 -0.060 0.000 0.992 324 V HN 0.713 nan 8.190 nan 0.000 0.428 325 I N 4.278 124.817 120.570 -0.051 0.000 2.619 325 I HA 0.574 4.746 4.170 0.003 0.000 0.292 325 I C -0.533 175.610 176.117 0.043 0.000 1.100 325 I CA -0.587 60.701 61.300 -0.019 0.000 1.043 325 I CB 2.352 40.376 38.000 0.040 0.000 1.239 325 I HN 0.823 nan 8.210 nan 0.000 0.420 326 N N 3.666 122.348 118.700 -0.029 0.000 3.201 326 N HA 0.362 5.104 4.740 0.003 0.000 0.344 326 N C 0.221 175.351 175.510 -0.632 0.000 1.465 326 N CA -0.981 52.024 53.050 -0.076 0.000 0.731 326 N CB 0.746 39.188 38.487 -0.074 0.000 1.677 326 N HN 0.437 nan 8.380 nan 0.000 0.631 327 K N -1.275 118.673 120.400 -0.753 0.000 2.362 327 K HA -0.005 4.317 4.320 0.003 0.000 0.200 327 K C -0.434 175.868 176.600 -0.497 0.000 1.046 327 K CA 1.171 56.861 56.287 -0.995 0.000 0.952 327 K CB -0.073 32.147 32.500 -0.466 0.000 0.753 327 K HN 0.534 nan 8.250 nan 0.000 0.466 328 D N -0.607 119.613 120.400 -0.300 0.000 2.453 328 D HA 0.008 4.650 4.640 0.003 0.000 0.256 328 D C -0.159 176.083 176.300 -0.097 0.000 1.152 328 D CA 0.299 54.209 54.000 -0.150 0.000 0.818 328 D CB 1.309 42.049 40.800 -0.100 0.000 1.259 328 D HN 0.200 nan 8.370 nan 0.000 0.531 329 T N -0.983 113.490 114.554 -0.136 0.000 2.903 329 T HA 0.605 4.957 4.350 0.003 0.000 0.299 329 T C -0.464 174.100 174.700 -0.226 0.000 1.093 329 T CA -0.510 61.499 62.100 -0.151 0.000 1.002 329 T CB 2.615 71.404 68.868 -0.132 0.000 1.127 329 T HN -0.308 nan 8.240 nan 0.000 0.488 330 T N 1.935 116.230 114.554 -0.431 0.000 2.863 330 T HA 0.707 5.059 4.350 0.003 0.000 0.285 330 T C -0.690 173.659 174.700 -0.584 0.000 1.009 330 T CA -0.615 61.169 62.100 -0.526 0.000 0.989 330 T CB 1.756 70.188 68.868 -0.726 0.000 1.004 330 T HN 0.816 nan 8.240 nan 0.000 0.455 331 T N 3.034 117.390 114.554 -0.330 0.000 2.848 331 T HA 0.605 4.957 4.350 0.003 0.000 0.285 331 T C -0.422 174.193 174.700 -0.141 0.000 0.995 331 T CA -0.536 61.427 62.100 -0.227 0.000 0.970 331 T CB 0.716 69.498 68.868 -0.143 0.000 0.976 331 T HN 0.428 nan 8.240 nan 0.000 0.441 332 I N 3.758 124.273 120.570 -0.092 0.000 2.389 332 I HA 0.494 4.666 4.170 0.003 0.000 0.288 332 I C -0.576 175.533 176.117 -0.014 0.000 0.999 332 I CA -0.840 60.446 61.300 -0.023 0.000 1.129 332 I CB 1.531 39.551 38.000 0.034 0.000 1.288 332 I HN 0.465 nan 8.210 nan 0.000 0.444 333 I N 5.155 125.718 120.570 -0.012 0.000 2.382 333 I HA 0.258 4.430 4.170 0.003 0.000 0.285 333 I C -0.767 175.346 176.117 -0.005 0.000 1.007 333 I CA -0.383 60.909 61.300 -0.012 0.000 1.142 333 I CB 1.265 39.254 38.000 -0.019 0.000 1.289 333 I HN 0.667 nan 8.210 nan 0.000 0.453 334 D N 4.657 125.056 120.400 -0.001 0.000 4.044 334 D HA -0.097 4.545 4.640 0.003 0.000 0.242 334 D C 0.265 176.568 176.300 0.005 0.000 1.076 334 D CA 0.857 54.858 54.000 0.001 0.000 1.171 334 D CB 0.107 40.904 40.800 -0.005 0.000 0.866 334 D HN 0.812 nan 8.370 nan 0.000 0.413 335 G N 1.077 109.885 108.800 0.013 0.000 2.539 335 G HA2 0.410 4.371 3.960 0.003 0.000 0.258 335 G HA3 0.410 4.371 3.960 0.003 0.000 0.258 335 G C 1.118 176.029 174.900 0.017 0.000 1.202 335 G CA -0.614 44.498 45.100 0.021 0.000 0.851 335 G HN 0.440 nan 8.290 nan 0.000 0.556 336 V N 1.633 121.560 119.914 0.022 0.000 3.647 336 V HA 0.180 4.302 4.120 0.003 0.000 0.279 336 V C 1.823 177.932 176.094 0.025 0.000 1.314 336 V CA 0.544 62.856 62.300 0.020 0.000 1.125 336 V CB -0.414 31.421 31.823 0.021 0.000 0.907 336 V HN 0.792 nan 8.190 nan 0.000 0.434 337 G N 0.299 109.115 108.800 0.027 0.000 2.544 337 G HA2 0.256 4.218 3.960 0.003 0.000 0.242 337 G HA3 0.256 4.218 3.960 0.003 0.000 0.242 337 G C -0.340 174.570 174.900 0.018 0.000 1.247 337 G CA -0.303 44.812 45.100 0.024 0.000 0.840 337 G HN 0.404 nan 8.290 nan 0.000 0.578 338 E N 0.280 120.490 120.200 0.016 0.000 2.383 338 E HA 0.082 4.434 4.350 0.003 0.000 0.257 338 E C 1.172 177.778 176.600 0.010 0.000 1.079 338 E CA 0.015 56.422 56.400 0.012 0.000 0.934 338 E CB 1.272 30.979 29.700 0.011 0.000 0.978 338 E HN 0.672 nan 8.360 nan 0.000 0.462 339 E N 4.032 124.237 120.200 0.009 0.000 2.114 339 E HA -0.314 4.038 4.350 0.003 0.000 0.199 339 E C 1.656 178.260 176.600 0.006 0.000 1.008 339 E CA 2.056 58.461 56.400 0.007 0.000 0.810 339 E CB -0.095 29.609 29.700 0.006 0.000 0.739 339 E HN 0.589 nan 8.360 nan 0.000 0.456 340 A N 0.368 123.192 122.820 0.005 0.000 1.930 340 A HA 0.012 4.334 4.320 0.003 0.000 0.217 340 A C 2.418 180.004 177.584 0.004 0.000 1.175 340 A CA 2.037 54.076 52.037 0.004 0.000 0.627 340 A CB -0.896 18.106 19.000 0.004 0.000 0.815 340 A HN 0.409 nan 8.150 nan 0.000 0.443 341 A N -0.150 122.673 122.820 0.005 0.000 1.929 341 A HA 0.018 4.340 4.320 0.003 0.000 0.216 341 A C 2.077 179.664 177.584 0.004 0.000 1.176 341 A CA 1.283 53.323 52.037 0.005 0.000 0.628 341 A CB -0.547 18.457 19.000 0.006 0.000 0.816 341 A HN 0.477 nan 8.150 nan 0.000 0.444 342 I N -0.438 120.136 120.570 0.006 0.000 2.163 342 I HA -0.343 3.829 4.170 0.003 0.000 0.243 342 I C 2.824 178.943 176.117 0.004 0.000 1.085 342 I CA 1.684 62.987 61.300 0.006 0.000 1.347 342 I CB -0.451 37.555 38.000 0.009 0.000 1.044 342 I HN 0.425 nan 8.210 nan 0.000 0.408 343 Q N 0.408 120.210 119.800 0.003 0.000 2.050 343 Q HA -0.155 4.187 4.340 0.003 0.000 0.202 343 Q C 2.398 178.398 176.000 0.001 0.000 0.980 343 Q CA 1.668 57.472 55.803 0.002 0.000 0.840 343 Q CB -0.476 28.263 28.738 0.002 0.000 0.898 343 Q HN 0.659 nan 8.270 nan 0.000 0.424 344 G N 1.082 109.882 108.800 0.001 0.000 2.422 344 G HA2 -0.283 3.679 3.960 0.003 0.000 0.218 344 G HA3 -0.283 3.679 3.960 0.003 0.000 0.218 344 G C 1.478 176.377 174.900 -0.002 0.000 1.146 344 G CA 0.435 45.535 45.100 -0.001 0.000 0.769 344 G HN 0.096 nan 8.290 nan 0.000 0.547 345 R N 0.417 120.916 120.500 -0.002 0.000 2.073 345 R HA -0.035 4.307 4.340 0.003 0.000 0.234 345 R C 2.632 178.929 176.300 -0.006 0.000 1.134 345 R CA 1.475 57.572 56.100 -0.004 0.000 0.952 345 R CB -0.873 29.426 30.300 -0.002 0.000 0.850 345 R HN 0.285 nan 8.270 nan 0.000 0.433 346 V N 1.320 121.232 119.914 -0.003 0.000 2.427 346 V HA -0.202 3.920 4.120 0.003 0.000 0.248 346 V C 2.602 178.693 176.094 -0.005 0.000 1.051 346 V CA 1.713 64.011 62.300 -0.004 0.000 1.048 346 V CB -0.814 31.008 31.823 -0.001 0.000 0.666 346 V HN 0.453 nan 8.190 nan 0.000 0.456 347 A N -0.936 121.882 122.820 -0.004 0.000 1.908 347 A HA -0.313 4.009 4.320 0.003 0.000 0.218 347 A C 2.253 179.833 177.584 -0.006 0.000 1.181 347 A CA 2.093 54.128 52.037 -0.004 0.000 0.627 347 A CB -0.555 18.444 19.000 -0.003 0.000 0.818 347 A HN 0.571 nan 8.150 nan 0.000 0.445 348 Q N -0.321 119.474 119.800 -0.008 0.000 2.124 348 Q HA -0.164 4.178 4.340 0.003 0.000 0.202 348 Q C 2.005 177.997 176.000 -0.014 0.000 0.977 348 Q CA 1.708 57.505 55.803 -0.010 0.000 0.850 348 Q CB -0.255 28.477 28.738 -0.011 0.000 0.901 348 Q HN 0.769 nan 8.270 nan 0.000 0.429 349 I N -0.030 120.530 120.570 -0.015 0.000 2.226 349 I HA -0.298 3.874 4.170 0.003 0.000 0.245 349 I C 2.710 178.816 176.117 -0.018 0.000 1.100 349 I CA 1.222 62.511 61.300 -0.020 0.000 1.374 349 I CB -0.434 37.553 38.000 -0.020 0.000 1.057 349 I HN 0.197 nan 8.210 nan 0.000 0.413 350 R N 0.883 121.376 120.500 -0.012 0.000 2.091 350 R HA -0.241 4.101 4.340 0.003 0.000 0.238 350 R C 2.491 178.785 176.300 -0.010 0.000 1.136 350 R CA 1.675 57.769 56.100 -0.010 0.000 0.959 350 R CB -0.323 29.973 30.300 -0.006 0.000 0.856 350 R HN 0.360 nan 8.270 nan 0.000 0.437 351 Q N 0.847 120.641 119.800 -0.010 0.000 2.096 351 Q HA -0.253 4.089 4.340 0.003 0.000 0.204 351 Q C 1.723 177.716 176.000 -0.013 0.000 0.982 351 Q CA 2.016 57.813 55.803 -0.009 0.000 0.850 351 Q CB -0.071 28.662 28.738 -0.008 0.000 0.901 351 Q HN 0.562 nan 8.270 nan 0.000 0.422 352 Q N -0.240 119.549 119.800 -0.017 0.000 2.230 352 Q HA -0.028 4.314 4.340 0.003 0.000 0.202 352 Q C 2.206 178.190 176.000 -0.026 0.000 0.963 352 Q CA 1.110 56.899 55.803 -0.023 0.000 0.866 352 Q CB 0.047 28.767 28.738 -0.030 0.000 0.931 352 Q HN 0.441 nan 8.270 nan 0.000 0.452 353 I N 0.653 121.209 120.570 -0.024 0.000 2.233 353 I HA -0.205 3.967 4.170 0.003 0.000 0.243 353 I C 1.830 177.937 176.117 -0.015 0.000 1.093 353 I CA 0.892 62.178 61.300 -0.023 0.000 1.380 353 I CB -0.135 37.854 38.000 -0.019 0.000 1.067 353 I HN 0.094 nan 8.210 nan 0.000 0.413 354 E N 1.323 121.516 120.200 -0.010 0.000 2.515 354 E HA -0.159 4.193 4.350 0.003 0.000 0.201 354 E C 0.706 177.303 176.600 -0.005 0.000 1.071 354 E CA 0.673 57.070 56.400 -0.005 0.000 0.880 354 E CB -0.164 29.534 29.700 -0.003 0.000 0.828 354 E HN 0.712 nan 8.360 nan 0.000 0.540 355 E N -0.893 119.302 120.200 -0.008 0.000 3.067 355 E HA 0.362 4.714 4.350 0.003 0.000 0.188 355 E C -0.162 176.432 176.600 -0.009 0.000 0.964 355 E CA -0.293 56.103 56.400 -0.007 0.000 1.286 355 E CB 0.296 29.993 29.700 -0.005 0.000 1.051 355 E HN -0.034 nan 8.360 nan 0.000 0.465 356 A N 1.187 123.999 122.820 -0.013 0.000 2.445 356 A HA 0.234 4.556 4.320 0.003 0.000 0.242 356 A C 1.362 178.941 177.584 -0.009 0.000 1.075 356 A CA 0.424 52.451 52.037 -0.017 0.000 0.777 356 A CB 0.374 19.358 19.000 -0.027 0.000 1.013 356 A HN 0.357 nan 8.150 nan 0.000 0.493 357 T N -0.985 113.565 114.554 -0.006 0.000 3.118 357 T HA 0.282 4.634 4.350 0.003 0.000 0.260 357 T C 0.600 175.306 174.700 0.010 0.000 1.139 357 T CA 0.693 62.795 62.100 0.002 0.000 1.085 357 T CB -0.742 68.128 68.868 0.004 0.000 0.934 357 T HN 1.659 nan 8.240 nan 0.000 0.518 358 S N -0.495 115.213 115.700 0.013 0.000 2.615 358 S HA 0.336 4.808 4.470 0.003 0.000 0.268 358 S C -0.682 173.937 174.600 0.031 0.000 1.146 358 S CA -0.694 57.523 58.200 0.028 0.000 0.818 358 S CB 0.996 64.228 63.200 0.055 0.000 1.111 358 S HN -0.042 nan 8.310 nan 0.000 0.465 359 D N 0.252 120.679 120.400 0.045 0.000 2.104 359 D HA -0.080 4.561 4.640 0.003 0.000 0.194 359 D C 1.356 177.710 176.300 0.090 0.000 0.994 359 D CA 1.966 55.996 54.000 0.050 0.000 0.830 359 D CB -0.289 40.541 40.800 0.050 0.000 0.959 359 D HN 0.555 nan 8.370 nan 0.000 0.452 360 Y N 1.469 121.767 120.300 -0.004 0.000 2.373 360 Y HA -0.110 4.442 4.550 0.004 0.000 0.293 360 Y C 1.385 177.281 175.900 -0.006 0.000 1.129 360 Y CA 0.969 59.069 58.100 -0.001 0.000 1.226 360 Y CB 0.013 38.476 38.460 0.005 0.000 1.000 360 Y HN -0.083 nan 8.280 nan 0.000 0.549 361 D N -0.315 120.036 120.400 -0.081 0.000 2.144 361 D HA -0.134 4.508 4.640 0.003 0.000 0.200 361 D C 2.135 178.355 176.300 -0.133 0.000 0.978 361 D CA 1.027 54.946 54.000 -0.135 0.000 0.833 361 D CB -0.097 40.674 40.800 -0.049 0.000 0.961 361 D HN 0.430 nan 8.370 nan 0.000 0.470 362 R N 0.989 121.441 120.500 -0.079 0.000 2.070 362 R HA -0.103 4.239 4.340 0.003 0.000 0.233 362 R C 2.268 178.514 176.300 -0.091 0.000 1.137 362 R CA 0.965 57.027 56.100 -0.063 0.000 0.945 362 R CB -0.261 30.023 30.300 -0.026 0.000 0.845 362 R HN 0.306 nan 8.270 nan 0.000 0.430 363 E N 1.239 121.375 120.200 -0.107 0.000 2.021 363 E HA -0.238 4.114 4.350 0.003 0.000 0.200 363 E C 1.825 178.324 176.600 -0.168 0.000 1.015 363 E CA 1.821 58.161 56.400 -0.100 0.000 0.824 363 E CB -0.138 29.539 29.700 -0.039 0.000 0.762 363 E HN 0.389 nan 8.360 nan 0.000 0.454 364 K N 0.574 120.776 120.400 -0.330 0.000 2.574 364 K HA -0.063 4.259 4.320 0.003 0.000 0.193 364 K C 1.597 178.084 176.600 -0.187 0.000 1.035 364 K CA 0.651 56.760 56.287 -0.296 0.000 0.982 364 K CB 0.269 32.489 32.500 -0.468 0.000 0.795 364 K HN 0.091 nan 8.250 nan 0.000 0.491 365 L N 1.526 122.662 121.223 -0.146 0.000 2.349 365 L HA -0.033 4.309 4.340 0.003 0.000 0.200 365 L C 2.724 179.556 176.870 -0.063 0.000 1.064 365 L CA 1.331 56.115 54.840 -0.093 0.000 0.821 365 L CB -0.938 41.073 42.059 -0.081 0.000 1.027 365 L HN 0.429 nan 8.230 nan 0.000 0.476 366 Q N -0.122 119.646 119.800 -0.054 0.000 2.291 366 Q HA -0.178 4.164 4.340 0.003 0.000 0.205 366 Q C 1.341 177.329 176.000 -0.020 0.000 0.970 366 Q CA 1.034 56.820 55.803 -0.028 0.000 0.876 366 Q CB -0.263 28.466 28.738 -0.015 0.000 0.935 366 Q HN 0.462 nan 8.270 nan 0.000 0.455 367 E N 1.053 121.236 120.200 -0.028 0.000 2.136 367 E HA -0.232 4.120 4.350 0.003 0.000 0.208 367 E C 1.814 178.407 176.600 -0.011 0.000 1.035 367 E CA 1.845 58.234 56.400 -0.017 0.000 0.838 367 E CB -0.013 29.668 29.700 -0.031 0.000 0.748 367 E HN 0.445 nan 8.360 nan 0.000 0.459 368 R N -0.281 120.207 120.500 -0.021 0.000 2.334 368 R HA 0.013 4.355 4.340 0.003 0.000 0.212 368 R C 2.326 178.620 176.300 -0.009 0.000 0.897 368 R CA 0.336 56.428 56.100 -0.015 0.000 1.056 368 R CB 0.392 30.675 30.300 -0.029 0.000 1.046 368 R HN 0.110 nan 8.270 nan 0.000 0.513 369 V N -1.936 117.972 119.914 -0.010 0.000 2.358 369 V HA -0.079 4.043 4.120 0.003 0.000 0.246 369 V C 2.167 178.261 176.094 0.001 0.000 1.047 369 V CA 1.797 64.094 62.300 -0.005 0.000 1.035 369 V CB -0.801 31.019 31.823 -0.005 0.000 0.658 369 V HN 0.203 nan 8.190 nan 0.000 0.452 370 A N 0.688 123.510 122.820 0.002 0.000 1.854 370 A HA -0.089 4.233 4.320 0.003 0.000 0.214 370 A C 2.282 179.872 177.584 0.010 0.000 1.192 370 A CA 1.752 53.793 52.037 0.005 0.000 0.611 370 A CB -0.604 18.399 19.000 0.005 0.000 0.832 370 A HN 0.542 nan 8.150 nan 0.000 0.442 371 K N -0.470 119.939 120.400 0.015 0.000 2.442 371 K HA 0.011 4.333 4.320 0.003 0.000 0.199 371 K C 1.253 177.870 176.600 0.029 0.000 1.044 371 K CA 0.848 57.152 56.287 0.028 0.000 0.941 371 K CB -0.225 32.300 32.500 0.043 0.000 0.759 371 K HN 0.471 nan 8.250 nan 0.000 0.472 372 L N -1.842 119.393 121.223 0.019 0.000 2.575 372 L HA 0.168 4.510 4.340 0.003 0.000 0.228 372 L C 1.434 178.312 176.870 0.012 0.000 1.075 372 L CA 0.341 55.191 54.840 0.018 0.000 0.867 372 L CB 0.479 42.545 42.059 0.012 0.000 1.097 372 L HN 0.118 nan 8.230 nan 0.000 0.485 373 A N -1.051 121.774 122.820 0.009 0.000 1.544 373 A HA 0.176 4.498 4.320 0.003 0.000 0.206 373 A C 1.654 179.241 177.584 0.004 0.000 1.895 373 A CA 0.508 52.548 52.037 0.006 0.000 1.585 373 A CB -0.991 18.012 19.000 0.005 0.000 1.485 373 A HN 0.122 nan 8.150 nan 0.000 0.342 374 G N 0.513 109.315 108.800 0.003 0.000 2.956 374 G HA2 0.509 4.471 3.960 0.003 0.000 0.207 374 G HA3 0.509 4.471 3.960 0.003 0.000 0.207 374 G C 1.061 175.963 174.900 0.002 0.000 1.162 374 G CA 0.815 45.916 45.100 0.002 0.000 0.796 374 G HN 2.009 nan 8.290 nan 0.000 0.527 375 G N -1.239 107.562 108.800 0.002 0.000 3.295 375 G HA2 -0.009 3.953 3.960 0.003 0.000 0.686 375 G HA3 -0.009 3.953 3.960 0.003 0.000 0.686 375 G C -0.489 174.411 174.900 0.001 0.000 0.958 375 G CA -0.424 44.676 45.100 0.000 0.000 0.787 375 G HN 0.709 nan 8.290 nan 0.000 0.523 376 V N 2.312 122.227 119.914 0.000 0.000 2.539 376 V HA 0.901 5.023 4.120 0.003 0.000 0.292 376 V C 0.847 176.939 176.094 -0.004 0.000 1.045 376 V CA 0.408 62.708 62.300 0.000 0.000 0.945 376 V CB 1.391 33.216 31.823 0.002 0.000 0.993 376 V HN 2.175 nan 8.190 nan 0.000 0.464 377 A N 3.966 126.783 122.820 -0.005 0.000 2.594 377 A HA 0.903 5.225 4.320 0.003 0.000 0.295 377 A C -1.482 176.096 177.584 -0.009 0.000 1.071 377 A CA -0.536 51.496 52.037 -0.008 0.000 0.685 377 A CB 2.185 21.179 19.000 -0.010 0.000 1.285 377 A HN 0.689 nan 8.150 nan 0.000 0.405 378 V N 1.949 121.856 119.914 -0.011 0.000 2.623 378 V HA 0.407 4.529 4.120 0.003 0.000 0.304 378 V C -0.653 175.432 176.094 -0.014 0.000 1.054 378 V CA -0.201 62.092 62.300 -0.012 0.000 0.882 378 V CB 1.726 33.544 31.823 -0.009 0.000 1.002 378 V HN 0.756 nan 8.190 nan 0.000 0.424 379 I N 3.990 124.550 120.570 -0.017 0.000 2.312 379 I HA 0.327 4.499 4.170 0.003 0.000 0.291 379 I C 0.318 176.426 176.117 -0.015 0.000 1.031 379 I CA -0.367 60.922 61.300 -0.017 0.000 1.293 379 I CB 1.016 39.002 38.000 -0.022 0.000 1.403 379 I HN 0.529 nan 8.210 nan 0.000 0.484 380 K N 5.704 126.097 120.400 -0.013 0.000 2.292 380 K HA 0.265 4.587 4.320 0.003 0.000 0.290 380 K C -0.601 175.992 176.600 -0.011 0.000 1.083 380 K CA -0.420 55.861 56.287 -0.011 0.000 0.918 380 K CB 0.958 33.452 32.500 -0.010 0.000 1.089 380 K HN 0.353 nan 8.250 nan 0.000 0.473 381 V N 3.436 123.344 119.914 -0.010 0.000 2.434 381 V HA 0.018 4.140 4.120 0.003 0.000 0.281 381 V C 0.937 177.026 176.094 -0.008 0.000 1.005 381 V CA -0.072 62.222 62.300 -0.010 0.000 1.089 381 V CB 0.282 32.100 31.823 -0.008 0.000 0.978 381 V HN 0.850 nan 8.190 nan 0.000 0.474 382 G N 4.047 112.841 108.800 -0.009 0.000 2.325 382 G HA2 0.683 4.645 3.960 0.003 0.000 0.298 382 G HA3 0.683 4.645 3.960 0.003 0.000 0.298 382 G C -0.269 174.626 174.900 -0.007 0.000 1.134 382 G CA 0.332 45.428 45.100 -0.008 0.000 0.876 382 G HN 1.230 nan 8.290 nan 0.000 0.452 383 A N 1.099 123.915 122.820 -0.006 0.000 2.605 383 A HA 0.771 5.093 4.320 0.003 0.000 0.294 383 A C 0.534 178.115 177.584 -0.005 0.000 1.062 383 A CA 0.237 52.270 52.037 -0.006 0.000 0.682 383 A CB 0.777 19.774 19.000 -0.005 0.000 1.278 383 A HN 1.649 nan 8.150 nan 0.000 0.410 384 A N 0.182 122.999 122.820 -0.005 0.000 1.943 384 A HA 0.456 4.778 4.320 0.003 0.000 0.213 384 A C 1.299 178.881 177.584 -0.003 0.000 1.181 384 A CA 2.149 54.184 52.037 -0.004 0.000 0.653 384 A CB -0.428 18.570 19.000 -0.004 0.000 0.833 384 A HN 1.944 nan 8.150 nan 0.000 0.451 385 T N -4.367 110.185 114.554 -0.003 0.000 2.910 385 T HA 0.498 4.850 4.350 0.003 0.000 0.287 385 T C 0.491 175.190 174.700 -0.002 0.000 1.050 385 T CA -0.005 62.093 62.100 -0.002 0.000 1.011 385 T CB 1.861 70.727 68.868 -0.003 0.000 1.195 385 T HN 0.182 nan 8.240 nan 0.000 0.540 386 E N -0.286 119.913 120.200 -0.001 0.000 2.158 386 E HA -0.077 4.275 4.350 0.003 0.000 0.191 386 E C 2.178 178.778 176.600 -0.000 0.000 0.982 386 E CA 1.082 57.482 56.400 -0.000 0.000 0.823 386 E CB -0.143 29.558 29.700 0.001 0.000 0.766 386 E HN 0.590 nan 8.360 nan 0.000 0.468 387 V N -0.537 119.377 119.914 -0.001 0.000 2.392 387 V HA -0.250 3.872 4.120 0.003 0.000 0.249 387 V C 2.107 178.200 176.094 -0.002 0.000 1.059 387 V CA 2.295 64.594 62.300 -0.001 0.000 1.051 387 V CB -0.674 31.147 31.823 -0.003 0.000 0.658 387 V HN 0.211 nan 8.190 nan 0.000 0.455 388 E N -0.419 119.779 120.200 -0.002 0.000 2.158 388 E HA -0.167 4.185 4.350 0.003 0.000 0.191 388 E C 2.083 178.681 176.600 -0.003 0.000 0.982 388 E CA 1.178 57.577 56.400 -0.003 0.000 0.823 388 E CB -0.110 29.588 29.700 -0.004 0.000 0.766 388 E HN 0.582 nan 8.360 nan 0.000 0.468 389 M N 1.253 120.852 119.600 -0.002 0.000 2.080 389 M HA -0.172 4.310 4.480 0.003 0.000 0.260 389 M C 1.721 178.021 176.300 -0.001 0.000 1.068 389 M CA 1.801 57.100 55.300 -0.002 0.000 1.109 389 M CB 0.028 32.627 32.600 -0.001 0.000 1.342 389 M HN -0.119 nan 8.290 nan 0.000 0.405 390 K N -0.339 120.062 120.400 0.001 0.000 2.057 390 K HA -0.220 4.102 4.320 0.003 0.000 0.207 390 K C 1.857 178.458 176.600 0.002 0.000 1.049 390 K CA 1.867 58.155 56.287 0.002 0.000 0.931 390 K CB -0.296 32.206 32.500 0.003 0.000 0.714 390 K HN 0.603 nan 8.250 nan 0.000 0.440 391 E N 1.302 121.502 120.200 0.000 0.000 2.076 391 E HA -0.187 4.165 4.350 0.003 0.000 0.190 391 E C 1.856 178.455 176.600 -0.002 0.000 0.979 391 E CA 1.302 57.702 56.400 -0.000 0.000 0.807 391 E CB -0.104 29.595 29.700 -0.001 0.000 0.761 391 E HN -0.014 nan 8.360 nan 0.000 0.454 392 K N 1.178 121.576 120.400 -0.004 0.000 2.057 392 K HA -0.127 4.195 4.320 0.003 0.000 0.207 392 K C 2.130 178.725 176.600 -0.008 0.000 1.049 392 K CA 1.909 58.192 56.287 -0.007 0.000 0.931 392 K CB -0.214 32.282 32.500 -0.007 0.000 0.714 392 K HN 0.176 nan 8.250 nan 0.000 0.440 393 K N -0.296 120.101 120.400 -0.006 0.000 2.032 393 K HA -0.167 4.155 4.320 0.003 0.000 0.209 393 K C 1.951 178.548 176.600 -0.006 0.000 1.048 393 K CA 1.537 57.820 56.287 -0.006 0.000 0.927 393 K CB -0.366 32.133 32.500 -0.001 0.000 0.712 393 K HN 0.220 nan 8.250 nan 0.000 0.441 394 A N 1.486 124.306 122.820 0.000 0.000 1.883 394 A HA -0.183 4.139 4.320 0.003 0.000 0.217 394 A C 2.044 179.627 177.584 -0.001 0.000 1.186 394 A CA 1.674 53.714 52.037 0.005 0.000 0.624 394 A CB -0.561 18.444 19.000 0.009 0.000 0.822 394 A HN 0.362 nan 8.150 nan 0.000 0.444 395 R N -0.803 119.694 120.500 -0.005 0.000 2.293 395 R HA -0.022 4.320 4.340 0.003 0.000 0.219 395 R C 1.675 177.964 176.300 -0.018 0.000 1.091 395 R CA 1.137 57.232 56.100 -0.008 0.000 1.004 395 R CB -0.260 30.036 30.300 -0.008 0.000 0.865 395 R HN 0.464 nan 8.270 nan 0.000 0.469 396 V N 0.182 120.081 119.914 -0.024 0.000 2.575 396 V HA -0.084 4.038 4.120 0.003 0.000 0.242 396 V C 2.136 178.189 176.094 -0.068 0.000 1.045 396 V CA 0.987 63.263 62.300 -0.040 0.000 1.065 396 V CB -0.149 31.652 31.823 -0.036 0.000 0.717 396 V HN 0.153 nan 8.190 nan 0.000 0.467 397 E N 0.651 120.816 120.200 -0.058 0.000 2.070 397 E HA -0.255 4.097 4.350 0.003 0.000 0.197 397 E C 1.598 178.108 176.600 -0.149 0.000 1.004 397 E CA 1.827 58.177 56.400 -0.083 0.000 0.805 397 E CB -0.134 29.558 29.700 -0.014 0.000 0.744 397 E HN 0.638 nan 8.360 nan 0.000 0.451 398 D N -1.128 119.246 120.400 -0.044 0.000 2.392 398 D HA 0.119 4.761 4.640 0.003 0.000 0.206 398 D C 1.609 177.916 176.300 0.012 0.000 1.046 398 D CA 0.376 54.402 54.000 0.044 0.000 0.865 398 D CB 0.448 41.317 40.800 0.114 0.000 0.969 398 D HN 0.038 nan 8.370 nan 0.000 0.509 399 A N 1.774 124.578 122.820 -0.027 0.000 1.969 399 A HA -0.088 4.234 4.320 0.003 0.000 0.218 399 A C 2.100 179.652 177.584 -0.052 0.000 1.169 399 A CA 0.472 52.494 52.037 -0.024 0.000 0.635 399 A CB -0.469 18.516 19.000 -0.024 0.000 0.810 399 A HN 0.210 nan 8.150 nan 0.000 0.445 400 L N -0.717 120.430 121.223 -0.127 0.000 2.131 400 L HA -0.166 4.176 4.340 0.003 0.000 0.210 400 L C 2.046 178.801 176.870 -0.191 0.000 1.092 400 L CA 2.162 56.894 54.840 -0.182 0.000 0.759 400 L CB -1.087 40.819 42.059 -0.255 0.000 0.903 400 L HN 0.487 nan 8.230 nan 0.000 0.435 401 H N -0.038 119.039 119.070 0.011 0.000 2.372 401 H HA 0.106 4.664 4.556 0.003 0.000 0.301 401 H C 2.266 177.602 175.328 0.013 0.000 1.065 401 H CA 1.146 57.202 56.048 0.014 0.000 1.364 401 H CB -0.323 29.450 29.762 0.019 0.000 1.406 401 H HN 0.414 nan 8.280 nan 0.000 0.521 402 A N 1.078 123.962 122.820 0.107 0.000 1.908 402 A HA -0.208 4.114 4.320 0.003 0.000 0.218 402 A C 2.653 180.261 177.584 0.039 0.000 1.181 402 A CA 2.636 54.711 52.037 0.063 0.000 0.627 402 A CB -1.015 18.009 19.000 0.040 0.000 0.818 402 A HN 0.601 nan 8.150 nan 0.000 0.445 403 T N -1.643 112.925 114.554 0.023 0.000 2.674 403 T HA -0.175 4.177 4.350 0.003 0.000 0.265 403 T C 1.985 176.699 174.700 0.023 0.000 1.039 403 T CA 1.249 63.357 62.100 0.013 0.000 1.150 403 T CB -0.423 68.444 68.868 -0.002 0.000 0.864 403 T HN 0.512 nan 8.240 nan 0.000 0.427 404 R N 1.479 122.002 120.500 0.038 0.000 2.091 404 R HA 0.071 4.413 4.340 0.003 0.000 0.238 404 R C 2.998 179.325 176.300 0.046 0.000 1.136 404 R CA 1.296 57.424 56.100 0.047 0.000 0.959 404 R CB -0.805 29.540 30.300 0.074 0.000 0.856 404 R HN 0.548 nan 8.270 nan 0.000 0.437 405 A N 1.241 124.094 122.820 0.056 0.000 1.940 405 A HA -0.136 4.186 4.320 0.003 0.000 0.219 405 A C 2.350 179.950 177.584 0.026 0.000 1.176 405 A CA 1.769 53.831 52.037 0.042 0.000 0.631 405 A CB -0.503 18.528 19.000 0.051 0.000 0.814 405 A HN 0.412 nan 8.150 nan 0.000 0.446 406 A N -0.777 122.057 122.820 0.022 0.000 1.929 406 A HA 0.086 4.408 4.320 0.003 0.000 0.216 406 A C 2.192 179.783 177.584 0.011 0.000 1.176 406 A CA 1.554 53.599 52.037 0.013 0.000 0.628 406 A CB -0.738 18.268 19.000 0.010 0.000 0.816 406 A HN 0.355 nan 8.150 nan 0.000 0.444 407 V N 1.122 121.044 119.914 0.014 0.000 2.358 407 V HA -0.251 3.871 4.120 0.003 0.000 0.246 407 V C 2.494 178.595 176.094 0.012 0.000 1.047 407 V CA 2.234 64.540 62.300 0.011 0.000 1.035 407 V CB -0.818 31.012 31.823 0.012 0.000 0.658 407 V HN 0.923 nan 8.190 nan 0.000 0.452 408 E N -0.048 120.161 120.200 0.015 0.000 2.371 408 E HA -0.140 4.212 4.350 0.003 0.000 0.194 408 E C 1.829 178.435 176.600 0.010 0.000 1.012 408 E CA 1.254 57.662 56.400 0.014 0.000 0.860 408 E CB 0.107 29.818 29.700 0.018 0.000 0.811 408 E HN 0.698 nan 8.360 nan 0.000 0.502 409 E N -0.204 120.001 120.200 0.008 0.000 2.633 409 E HA 0.213 4.565 4.350 0.003 0.000 0.222 409 E C 0.355 176.957 176.600 0.002 0.000 0.899 409 E CA 0.400 56.803 56.400 0.004 0.000 1.292 409 E CB 1.136 30.837 29.700 0.002 0.000 1.257 409 E HN 0.306 nan 8.360 nan 0.000 0.626 410 G N 0.423 109.226 108.800 0.004 0.000 2.526 410 G HA2 -0.135 3.827 3.960 0.003 0.000 0.250 410 G HA3 -0.135 3.827 3.960 0.003 0.000 0.250 410 G C -0.627 174.274 174.900 0.002 0.000 1.289 410 G CA -0.492 44.610 45.100 0.003 0.000 0.947 410 G HN 0.710 nan 8.290 nan 0.000 0.517 411 V N -2.655 117.259 119.914 0.001 0.000 3.040 411 V HA 0.973 5.095 4.120 0.003 0.000 0.312 411 V C 0.523 176.618 176.094 0.001 0.000 1.115 411 V CA -0.037 62.263 62.300 0.000 0.000 0.998 411 V CB 1.219 33.042 31.823 -0.000 0.000 1.042 411 V HN 2.424 nan 8.190 nan 0.000 0.433 412 V N -0.575 119.340 119.914 0.000 0.000 3.074 412 V HA 1.003 5.125 4.120 0.003 0.000 0.314 412 V C 0.524 176.620 176.094 0.003 0.000 1.117 412 V CA -0.646 61.656 62.300 0.003 0.000 1.014 412 V CB 1.468 33.292 31.823 0.002 0.000 1.057 412 V HN 2.071 nan 8.190 nan 0.000 0.438 413 A N 1.533 124.358 122.820 0.008 0.000 2.537 413 A HA 0.592 4.914 4.320 0.003 0.000 0.260 413 A C 0.856 178.444 177.584 0.007 0.000 1.082 413 A CA 0.704 52.747 52.037 0.009 0.000 0.765 413 A CB -0.875 18.138 19.000 0.021 0.000 1.019 413 A HN 1.891 nan 8.150 nan 0.000 0.507 414 G N 0.991 109.789 108.800 -0.004 0.000 2.510 414 G HA2 0.531 4.492 3.960 0.003 0.000 0.280 414 G HA3 0.531 4.492 3.960 0.003 0.000 0.280 414 G C 1.143 176.040 174.900 -0.004 0.000 1.386 414 G CA -0.115 44.981 45.100 -0.006 0.000 1.047 414 G HN 2.180 nan 8.290 nan 0.000 0.527 415 G N -2.186 106.609 108.800 -0.007 0.000 2.187 415 G HA2 0.198 4.160 3.960 0.003 0.000 0.261 415 G HA3 0.198 4.160 3.960 0.003 0.000 0.261 415 G C 1.506 176.415 174.900 0.016 0.000 1.000 415 G CA 1.266 46.367 45.100 0.000 0.000 0.718 415 G HN 2.515 nan 8.290 nan 0.000 0.519 416 G N -2.576 106.233 108.800 0.014 0.000 2.179 416 G HA2 -0.168 3.794 3.960 0.003 0.000 0.260 416 G HA3 -0.168 3.794 3.960 0.003 0.000 0.260 416 G C 1.474 176.391 174.900 0.027 0.000 0.977 416 G CA 1.454 46.565 45.100 0.019 0.000 0.641 416 G HN 1.678 nan 8.290 nan 0.000 0.533 417 V N 0.736 120.670 119.914 0.033 0.000 2.427 417 V HA 0.137 4.259 4.120 0.003 0.000 0.248 417 V C 3.040 179.159 176.094 0.042 0.000 1.051 417 V CA 2.923 65.252 62.300 0.049 0.000 1.048 417 V CB -0.549 31.313 31.823 0.064 0.000 0.666 417 V HN 1.163 nan 8.190 nan 0.000 0.456 418 A N -0.425 122.413 122.820 0.030 0.000 1.908 418 A HA -0.210 4.112 4.320 0.003 0.000 0.218 418 A C 2.121 179.717 177.584 0.019 0.000 1.181 418 A CA 2.191 54.242 52.037 0.024 0.000 0.627 418 A CB -0.689 18.320 19.000 0.015 0.000 0.818 418 A HN 0.536 nan 8.150 nan 0.000 0.445 419 L N -0.045 121.187 121.223 0.015 0.000 2.046 419 L HA -0.118 4.224 4.340 0.003 0.000 0.208 419 L C 2.283 179.163 176.870 0.016 0.000 1.077 419 L CA 1.666 56.512 54.840 0.010 0.000 0.747 419 L CB -0.346 41.716 42.059 0.006 0.000 0.896 419 L HN 0.456 nan 8.230 nan 0.000 0.432 420 I N -1.089 119.496 120.570 0.025 0.000 2.208 420 I HA -0.291 3.881 4.170 0.003 0.000 0.245 420 I C 2.449 178.584 176.117 0.030 0.000 1.097 420 I CA 0.746 62.065 61.300 0.031 0.000 1.363 420 I CB -0.431 37.595 38.000 0.044 0.000 1.051 420 I HN 0.247 nan 8.210 nan 0.000 0.413 421 R N 0.677 121.197 120.500 0.032 0.000 2.066 421 R HA -0.110 4.232 4.340 0.003 0.000 0.232 421 R C 2.379 178.690 176.300 0.019 0.000 1.131 421 R CA 1.711 57.828 56.100 0.029 0.000 0.955 421 R CB -1.420 28.900 30.300 0.033 0.000 0.851 421 R HN 0.468 nan 8.270 nan 0.000 0.432 422 V N -0.948 118.974 119.914 0.015 0.000 2.490 422 V HA -0.052 4.069 4.120 0.003 0.000 0.250 422 V C 2.284 178.382 176.094 0.008 0.000 1.061 422 V CA 1.696 64.001 62.300 0.009 0.000 1.064 422 V CB -1.034 30.791 31.823 0.004 0.000 0.670 422 V HN 0.175 nan 8.190 nan 0.000 0.461 423 A N 1.872 124.698 122.820 0.010 0.000 1.883 423 A HA -0.190 4.132 4.320 0.003 0.000 0.217 423 A C 2.655 180.245 177.584 0.010 0.000 1.186 423 A CA 2.960 55.003 52.037 0.010 0.000 0.624 423 A CB -1.218 17.789 19.000 0.012 0.000 0.822 423 A HN 1.004 nan 8.150 nan 0.000 0.444 424 S N 0.017 115.724 115.700 0.012 0.000 2.368 424 S HA -0.189 4.283 4.470 0.003 0.000 0.225 424 S C 1.837 176.442 174.600 0.008 0.000 1.030 424 S CA 1.531 59.738 58.200 0.011 0.000 0.999 424 S CB -0.418 62.790 63.200 0.014 0.000 0.844 424 S HN 0.604 nan 8.310 nan 0.000 0.459 425 K N 1.000 121.405 120.400 0.008 0.000 2.147 425 K HA 0.145 4.467 4.320 0.003 0.000 0.205 425 K C 1.599 178.202 176.600 0.005 0.000 1.049 425 K CA 1.106 57.397 56.287 0.006 0.000 0.936 425 K CB -0.388 32.116 32.500 0.007 0.000 0.722 425 K HN 0.403 nan 8.250 nan 0.000 0.446 426 L N 0.427 121.652 121.223 0.005 0.000 2.612 426 L HA 0.115 4.457 4.340 0.003 0.000 0.230 426 L C 2.023 178.895 176.870 0.004 0.000 1.140 426 L CA -0.324 54.518 54.840 0.004 0.000 0.896 426 L CB -0.252 41.809 42.059 0.003 0.000 1.065 426 L HN 0.129 nan 8.230 nan 0.000 0.447 427 A N 0.398 123.220 122.820 0.004 0.000 1.948 427 A HA -0.238 4.084 4.320 0.003 0.000 0.220 427 A C 1.810 179.396 177.584 0.003 0.000 1.177 427 A CA 1.975 54.014 52.037 0.004 0.000 0.636 427 A CB -0.273 18.730 19.000 0.003 0.000 0.815 427 A HN 0.383 nan 8.150 nan 0.000 0.449 428 D N -1.059 119.343 120.400 0.002 0.000 2.317 428 D HA 0.056 4.698 4.640 0.003 0.000 0.211 428 D C 0.578 176.879 176.300 0.002 0.000 0.966 428 D CA 0.087 54.089 54.000 0.002 0.000 0.876 428 D CB -0.270 40.531 40.800 0.002 0.000 0.927 428 D HN 0.372 nan 8.370 nan 0.000 0.519 429 L N 1.508 122.732 121.223 0.003 0.000 2.456 429 L HA 0.114 4.456 4.340 0.003 0.000 0.272 429 L C 0.216 177.088 176.870 0.003 0.000 1.189 429 L CA 0.587 55.428 54.840 0.003 0.000 0.846 429 L CB 0.296 42.357 42.059 0.003 0.000 1.111 429 L HN -0.225 nan 8.230 nan 0.000 0.475 430 R N 2.623 123.125 120.500 0.003 0.000 2.817 430 R HA 0.716 5.058 4.340 0.003 0.000 0.268 430 R C -0.372 175.930 176.300 0.003 0.000 1.027 430 R CA -0.366 55.736 56.100 0.003 0.000 0.928 430 R CB 1.345 31.646 30.300 0.003 0.000 1.228 430 R HN 0.789 nan 8.270 nan 0.000 0.469 431 G N -0.471 108.331 108.800 0.004 0.000 3.217 431 G HA2 0.245 4.207 3.960 0.003 0.000 0.213 431 G HA3 0.245 4.207 3.960 0.003 0.000 0.213 431 G C 0.011 174.914 174.900 0.004 0.000 1.294 431 G CA -0.274 44.828 45.100 0.004 0.000 0.987 431 G HN 0.381 nan 8.290 nan 0.000 0.584 432 Q N -0.385 119.418 119.800 0.004 0.000 2.230 432 Q HA 0.041 4.383 4.340 0.003 0.000 0.202 432 Q C 0.317 176.319 176.000 0.004 0.000 0.963 432 Q CA 1.165 56.971 55.803 0.004 0.000 0.866 432 Q CB 0.000 28.741 28.738 0.004 0.000 0.931 432 Q HN 0.583 nan 8.270 nan 0.000 0.452 433 N N -1.942 116.761 118.700 0.004 0.000 2.934 433 N HA 0.034 4.776 4.740 0.003 0.000 0.253 433 N C -0.265 175.248 175.510 0.005 0.000 1.466 433 N CA -0.524 52.529 53.050 0.004 0.000 0.858 433 N CB 0.731 39.221 38.487 0.005 0.000 1.459 433 N HN -0.267 nan 8.380 nan 0.000 0.532 434 E N -0.317 119.886 120.200 0.004 0.000 2.274 434 E HA -0.001 4.351 4.350 0.003 0.000 0.194 434 E C 0.107 176.710 176.600 0.005 0.000 0.996 434 E CA 1.167 57.569 56.400 0.004 0.000 0.840 434 E CB -0.224 29.478 29.700 0.004 0.000 0.772 434 E HN 0.664 nan 8.360 nan 0.000 0.491 435 D N -0.120 120.283 120.400 0.006 0.000 2.117 435 D HA -0.177 4.465 4.640 0.003 0.000 0.197 435 D C 1.737 178.041 176.300 0.007 0.000 0.987 435 D CA 1.189 55.193 54.000 0.007 0.000 0.829 435 D CB -0.018 40.786 40.800 0.007 0.000 0.961 435 D HN 0.261 nan 8.370 nan 0.000 0.460 436 Q N -0.063 119.741 119.800 0.007 0.000 2.172 436 Q HA -0.070 4.272 4.340 0.003 0.000 0.200 436 Q C 1.664 177.668 176.000 0.006 0.000 0.964 436 Q CA 0.683 56.489 55.803 0.006 0.000 0.855 436 Q CB 0.058 28.800 28.738 0.006 0.000 0.918 436 Q HN 0.287 nan 8.270 nan 0.000 0.444 437 N N 0.158 118.861 118.700 0.005 0.000 2.084 437 N HA -0.126 4.616 4.740 0.003 0.000 0.190 437 N C 1.880 177.393 175.510 0.005 0.000 1.030 437 N CA 1.096 54.149 53.050 0.005 0.000 0.849 437 N CB -0.420 38.070 38.487 0.004 0.000 1.012 437 N HN 0.046 nan 8.380 nan 0.000 0.423 438 V N 1.083 121.000 119.914 0.006 0.000 2.407 438 V HA -0.158 3.964 4.120 0.003 0.000 0.248 438 V C 2.437 178.535 176.094 0.007 0.000 1.055 438 V CA 2.003 64.307 62.300 0.006 0.000 1.049 438 V CB -1.263 30.564 31.823 0.007 0.000 0.662 438 V HN 0.358 nan 8.190 nan 0.000 0.455 439 G N 0.012 108.816 108.800 0.008 0.000 2.433 439 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 439 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 439 G C 1.577 176.481 174.900 0.008 0.000 1.186 439 G CA 1.121 46.226 45.100 0.008 0.000 0.779 439 G HN 0.477 nan 8.290 nan 0.000 0.543 440 I N 0.321 120.895 120.570 0.007 0.000 2.151 440 I HA -0.176 3.996 4.170 0.003 0.000 0.243 440 I C 2.230 178.350 176.117 0.006 0.000 1.080 440 I CA 1.247 62.551 61.300 0.006 0.000 1.339 440 I CB -0.064 37.939 38.000 0.005 0.000 1.039 440 I HN -0.005 nan 8.210 nan 0.000 0.409 441 K N 0.245 120.649 120.400 0.006 0.000 2.551 441 K HA 0.036 4.358 4.320 0.003 0.000 0.192 441 K C 1.379 177.983 176.600 0.007 0.000 1.027 441 K CA 0.303 56.594 56.287 0.006 0.000 1.059 441 K CB -0.270 32.234 32.500 0.006 0.000 0.831 441 K HN 0.193 nan 8.250 nan 0.000 0.508 442 V N -0.422 119.497 119.914 0.008 0.000 2.374 442 V HA -0.069 4.053 4.120 0.003 0.000 0.241 442 V C 2.105 178.205 176.094 0.009 0.000 1.034 442 V CA 1.614 63.920 62.300 0.009 0.000 1.037 442 V CB -0.492 31.337 31.823 0.010 0.000 0.682 442 V HN 0.292 nan 8.190 nan 0.000 0.463 443 A N 0.289 123.114 122.820 0.008 0.000 1.883 443 A HA -0.165 4.157 4.320 0.003 0.000 0.217 443 A C 2.187 179.774 177.584 0.006 0.000 1.186 443 A CA 1.902 53.944 52.037 0.007 0.000 0.624 443 A CB -0.672 18.331 19.000 0.005 0.000 0.822 443 A HN 0.492 nan 8.150 nan 0.000 0.444 444 L N -1.424 119.802 121.223 0.006 0.000 2.131 444 L HA -0.156 4.185 4.340 0.003 0.000 0.210 444 L C 2.770 179.645 176.870 0.008 0.000 1.092 444 L CA 1.412 56.256 54.840 0.006 0.000 0.759 444 L CB -0.557 41.506 42.059 0.006 0.000 0.903 444 L HN 0.394 nan 8.230 nan 0.000 0.435 445 R N 0.310 120.815 120.500 0.009 0.000 2.105 445 R HA -0.167 4.175 4.340 0.003 0.000 0.239 445 R C 2.252 178.558 176.300 0.011 0.000 1.135 445 R CA 1.417 57.523 56.100 0.010 0.000 0.967 445 R CB -0.211 30.095 30.300 0.010 0.000 0.861 445 R HN 0.375 nan 8.270 nan 0.000 0.442 446 A N -0.015 122.811 122.820 0.011 0.000 2.168 446 A HA -0.061 4.261 4.320 0.003 0.000 0.215 446 A C 1.869 179.460 177.584 0.012 0.000 1.152 446 A CA 0.687 52.731 52.037 0.012 0.000 0.716 446 A CB -0.213 18.794 19.000 0.011 0.000 0.794 446 A HN 0.259 nan 8.150 nan 0.000 0.465 447 M N -0.590 119.017 119.600 0.011 0.000 2.557 447 M HA -0.079 4.403 4.480 0.003 0.000 0.259 447 M C 1.319 177.629 176.300 0.017 0.000 1.086 447 M CA 0.885 56.191 55.300 0.011 0.000 1.096 447 M CB -0.210 32.396 32.600 0.009 0.000 1.424 447 M HN 0.453 nan 8.290 nan 0.000 0.488 448 E N 0.414 120.625 120.200 0.019 0.000 2.427 448 E HA -0.018 4.334 4.350 0.003 0.000 0.196 448 E C 2.057 178.671 176.600 0.022 0.000 1.028 448 E CA 0.503 56.916 56.400 0.023 0.000 0.864 448 E CB 0.052 29.765 29.700 0.023 0.000 0.813 448 E HN 0.492 nan 8.360 nan 0.000 0.514 449 A N 2.310 125.141 122.820 0.019 0.000 1.908 449 A HA -0.123 4.199 4.320 0.003 0.000 0.218 449 A C -0.332 177.264 177.584 0.020 0.000 1.181 449 A CA 1.150 53.198 52.037 0.018 0.000 0.627 449 A CB -1.336 17.673 19.000 0.016 0.000 0.818 449 A HN 0.134 nan 8.150 nan 0.000 0.445 450 P HA -0.172 nan 4.420 nan 0.000 0.214 450 P C 1.855 179.170 177.300 0.024 0.000 1.163 450 P CA 0.883 63.994 63.100 0.019 0.000 0.883 450 P CB -0.160 31.549 31.700 0.016 0.000 0.788 451 L N 0.089 121.330 121.223 0.030 0.000 1.989 451 L HA -0.183 4.159 4.340 0.003 0.000 0.211 451 L C 2.192 179.085 176.870 0.039 0.000 1.071 451 L CA 2.177 57.042 54.840 0.042 0.000 0.749 451 L CB -1.063 41.026 42.059 0.051 0.000 0.890 451 L HN -0.060 nan 8.230 nan 0.000 0.431 452 R N -0.711 119.807 120.500 0.031 0.000 2.105 452 R HA -0.193 4.149 4.340 0.003 0.000 0.239 452 R C 2.166 178.480 176.300 0.023 0.000 1.135 452 R CA 1.596 57.711 56.100 0.024 0.000 0.967 452 R CB -0.127 30.185 30.300 0.020 0.000 0.861 452 R HN 0.549 nan 8.270 nan 0.000 0.442 453 Q N 0.115 119.928 119.800 0.023 0.000 2.269 453 Q HA 0.016 4.358 4.340 0.003 0.000 0.201 453 Q C 2.162 178.175 176.000 0.022 0.000 0.946 453 Q CA 0.899 56.714 55.803 0.020 0.000 0.877 453 Q CB 0.063 28.811 28.738 0.018 0.000 0.963 453 Q HN 0.412 nan 8.270 nan 0.000 0.472 454 I N -0.001 120.584 120.570 0.026 0.000 2.179 454 I HA -0.250 3.922 4.170 0.003 0.000 0.242 454 I C 2.204 178.344 176.117 0.039 0.000 1.088 454 I CA 0.905 62.222 61.300 0.028 0.000 1.357 454 I CB -0.324 37.693 38.000 0.029 0.000 1.051 454 I HN -0.045 nan 8.210 nan 0.000 0.409 455 V N 0.590 120.533 119.914 0.049 0.000 2.407 455 V HA -0.266 3.856 4.120 0.003 0.000 0.248 455 V C 2.331 178.445 176.094 0.033 0.000 1.055 455 V CA 1.577 63.908 62.300 0.052 0.000 1.049 455 V CB -0.444 31.401 31.823 0.037 0.000 0.662 455 V HN 0.350 nan 8.190 nan 0.000 0.455 456 L N 0.280 121.518 121.223 0.024 0.000 2.072 456 L HA -0.091 4.251 4.340 0.003 0.000 0.205 456 L C 2.216 179.097 176.870 0.018 0.000 1.079 456 L CA 1.838 56.689 54.840 0.018 0.000 0.752 456 L CB -0.898 41.170 42.059 0.015 0.000 0.906 456 L HN 0.303 nan 8.230 nan 0.000 0.436 457 N N -0.904 117.808 118.700 0.019 0.000 2.137 457 N HA -0.234 4.508 4.740 0.003 0.000 0.190 457 N C 1.818 177.338 175.510 0.016 0.000 1.017 457 N CA 1.887 54.947 53.050 0.015 0.000 0.859 457 N CB -0.272 38.223 38.487 0.013 0.000 1.002 457 N HN 0.459 nan 8.380 nan 0.000 0.428 458 C N -0.564 118.751 119.300 0.024 0.000 2.432 458 C HA -0.009 4.453 4.460 0.003 0.000 0.277 458 C C 1.884 176.889 174.990 0.026 0.000 1.249 458 C CA 1.115 60.151 59.018 0.028 0.000 1.725 458 C CB -1.076 26.695 27.740 0.053 0.000 2.028 458 C HN 0.727 nan 8.230 nan 0.000 0.477 459 G N 0.096 108.911 108.800 0.025 0.000 2.144 459 G HA2 -0.160 3.802 3.960 0.003 0.000 0.218 459 G HA3 -0.160 3.802 3.960 0.003 0.000 0.218 459 G C -0.215 174.699 174.900 0.023 0.000 0.988 459 G CA 0.319 45.431 45.100 0.021 0.000 0.659 459 G HN 0.523 nan 8.290 nan 0.000 0.522 460 E N 0.415 120.633 120.200 0.030 0.000 2.605 460 E HA 0.538 4.890 4.350 0.003 0.000 0.255 460 E C 0.535 177.132 176.600 -0.003 0.000 1.369 460 E CA -0.025 56.383 56.400 0.013 0.000 1.017 460 E CB 0.449 30.160 29.700 0.019 0.000 1.086 460 E HN 0.413 nan 8.360 nan 0.000 0.605 461 E N 1.133 121.319 120.200 -0.024 0.000 2.073 461 E HA 0.131 4.483 4.350 0.003 0.000 0.269 461 E C -1.908 174.680 176.600 -0.021 0.000 0.917 461 E CA -1.687 54.702 56.400 -0.018 0.000 0.757 461 E CB 1.252 30.942 29.700 -0.017 0.000 1.111 461 E HN 0.289 nan 8.360 nan 0.000 0.410 462 P HA -0.290 nan 4.420 nan 0.000 0.212 462 P C 1.410 178.709 177.300 -0.001 0.000 1.174 462 P CA 1.735 64.835 63.100 -0.000 0.000 0.934 462 P CB 0.132 31.836 31.700 0.006 0.000 0.791 463 S N -1.682 114.018 115.700 -0.000 0.000 2.474 463 S HA -0.069 4.403 4.470 0.003 0.000 0.235 463 S C 1.901 176.500 174.600 -0.002 0.000 0.997 463 S CA 1.034 59.235 58.200 0.002 0.000 0.949 463 S CB -1.496 61.705 63.200 0.002 0.000 0.766 463 S HN -0.056 nan 8.310 nan 0.000 0.517 464 V N 1.481 121.388 119.914 -0.012 0.000 2.346 464 V HA -0.065 4.057 4.120 0.003 0.000 0.244 464 V C 2.565 178.646 176.094 -0.021 0.000 1.037 464 V CA 1.299 63.588 62.300 -0.018 0.000 1.029 464 V CB -0.752 31.056 31.823 -0.025 0.000 0.663 464 V HN 0.438 nan 8.190 nan 0.000 0.454 465 V N 0.627 120.512 119.914 -0.049 0.000 2.427 465 V HA -0.205 3.917 4.120 0.003 0.000 0.248 465 V C 2.739 178.850 176.094 0.027 0.000 1.051 465 V CA 1.794 64.054 62.300 -0.068 0.000 1.048 465 V CB -1.180 30.527 31.823 -0.194 0.000 0.666 465 V HN 0.529 nan 8.190 nan 0.000 0.456 466 A N 0.649 123.484 122.820 0.024 0.000 1.908 466 A HA -0.240 4.082 4.320 0.003 0.000 0.218 466 A C 2.060 179.673 177.584 0.048 0.000 1.181 466 A CA 2.185 54.248 52.037 0.044 0.000 0.627 466 A CB -0.659 18.358 19.000 0.029 0.000 0.818 466 A HN 0.574 nan 8.150 nan 0.000 0.445 467 N N -0.247 118.469 118.700 0.028 0.000 2.244 467 N HA -0.106 4.636 4.740 0.003 0.000 0.183 467 N C 1.929 177.451 175.510 0.019 0.000 1.016 467 N CA 1.986 55.046 53.050 0.017 0.000 0.866 467 N CB -0.649 37.838 38.487 0.000 0.000 0.980 467 N HN 0.737 nan 8.380 nan 0.000 0.430 468 T N -1.883 112.692 114.554 0.035 0.000 2.770 468 T HA 0.007 4.359 4.350 0.003 0.000 0.263 468 T C 2.123 176.913 174.700 0.150 0.000 1.039 468 T CA 0.810 62.925 62.100 0.026 0.000 1.142 468 T CB -0.798 68.046 68.868 -0.040 0.000 0.868 468 T HN -0.121 nan 8.240 nan 0.000 0.435 469 V N 2.206 122.268 119.914 0.246 0.000 2.287 469 V HA -0.197 3.925 4.120 0.003 0.000 0.248 469 V C 2.772 178.975 176.094 0.183 0.000 1.053 469 V CA 2.019 64.493 62.300 0.289 0.000 1.027 469 V CB -0.635 31.323 31.823 0.225 0.000 0.646 469 V HN 0.521 nan 8.190 nan 0.000 0.447 470 K N -0.011 120.450 120.400 0.102 0.000 2.280 470 K HA -0.080 4.242 4.320 0.003 0.000 0.202 470 K C 2.092 178.702 176.600 0.017 0.000 1.047 470 K CA 1.144 57.463 56.287 0.054 0.000 0.942 470 K CB -0.445 32.076 32.500 0.035 0.000 0.739 470 K HN 0.586 nan 8.250 nan 0.000 0.457 471 G N 1.022 109.821 108.800 -0.001 0.000 2.511 471 G HA2 -0.052 3.910 3.960 0.003 0.000 0.217 471 G HA3 -0.052 3.910 3.960 0.003 0.000 0.217 471 G C 0.760 175.572 174.900 -0.147 0.000 1.133 471 G CA 0.391 45.452 45.100 -0.066 0.000 0.792 471 G HN 0.343 nan 8.290 nan 0.000 0.539 472 G N -0.542 108.160 108.800 -0.164 0.000 2.588 472 G HA2 0.437 4.399 3.960 0.003 0.000 0.278 472 G HA3 0.437 4.399 3.960 0.003 0.000 0.278 472 G C -1.188 173.625 174.900 -0.145 0.000 1.307 472 G CA -0.353 44.512 45.100 -0.392 0.000 1.016 472 G HN 0.082 nan 8.290 nan 0.000 0.503 473 D N -1.236 119.091 120.400 -0.121 0.000 2.350 473 D HA 0.537 5.179 4.640 0.003 0.000 0.245 473 D C 1.045 177.388 176.300 0.072 0.000 1.036 473 D CA 0.820 54.810 54.000 -0.016 0.000 0.848 473 D CB 1.443 42.219 40.800 -0.039 0.000 1.307 473 D HN 0.758 nan 8.370 nan 0.000 0.469 474 G N 2.834 111.671 108.800 0.062 0.000 2.629 474 G HA2 -0.424 3.538 3.960 0.003 0.000 0.313 474 G HA3 -0.424 3.538 3.960 0.003 0.000 0.313 474 G C 0.826 175.786 174.900 0.099 0.000 1.217 474 G CA 0.658 45.800 45.100 0.069 0.000 0.994 474 G HN 0.638 nan 8.290 nan 0.000 0.549 475 N N -0.150 118.610 118.700 0.101 0.000 2.521 475 N HA 0.141 4.883 4.740 0.003 0.000 0.188 475 N C 0.659 176.252 175.510 0.138 0.000 1.146 475 N CA 0.138 53.245 53.050 0.095 0.000 0.893 475 N CB 0.097 38.621 38.487 0.063 0.000 0.975 475 N HN 0.486 nan 8.380 nan 0.000 0.451 476 Y N 1.374 121.705 120.300 0.050 0.000 2.620 476 Y HA 0.231 4.782 4.550 0.003 0.000 0.330 476 Y C 0.778 176.742 175.900 0.107 0.000 1.186 476 Y CA 0.152 58.298 58.100 0.078 0.000 1.467 476 Y CB 0.265 38.769 38.460 0.073 0.000 1.262 476 Y HN -0.046 nan 8.280 nan 0.000 0.550 477 G N 3.893 112.622 108.800 -0.118 0.000 2.682 477 G HA2 0.206 4.168 3.960 0.003 0.000 0.303 477 G HA3 0.206 4.168 3.960 0.003 0.000 0.303 477 G C -2.451 172.411 174.900 -0.063 0.000 1.341 477 G CA -0.921 44.193 45.100 0.023 0.000 0.784 477 G HN 0.484 nan 8.290 nan 0.000 0.497 478 Y N 1.554 121.749 120.300 -0.174 0.000 2.326 478 Y HA 0.496 5.048 4.550 0.003 0.000 0.337 478 Y C 0.368 176.072 175.900 -0.326 0.000 1.023 478 Y CA -1.535 56.289 58.100 -0.459 0.000 1.143 478 Y CB 1.320 39.513 38.460 -0.446 0.000 1.183 478 Y HN 0.388 nan 8.280 nan 0.000 0.485 479 N N 5.095 123.286 118.700 -0.849 0.000 2.549 479 N HA 0.067 4.809 4.740 0.003 0.000 0.267 479 N C 0.581 175.497 175.510 -0.990 0.000 1.182 479 N CA 0.576 53.206 53.050 -0.700 0.000 1.019 479 N CB 0.541 38.747 38.487 -0.468 0.000 1.380 479 N HN 0.868 nan 8.380 nan 0.000 0.505 480 A N 2.520 124.915 122.820 -0.708 0.000 2.225 480 A HA -0.024 4.298 4.320 0.003 0.000 0.215 480 A C 1.894 179.321 177.584 -0.261 0.000 1.164 480 A CA 1.486 53.268 52.037 -0.425 0.000 0.710 480 A CB -0.122 18.809 19.000 -0.114 0.000 0.780 480 A HN 0.640 nan 8.150 nan 0.000 0.473 481 A N -0.626 122.039 122.820 -0.259 0.000 1.871 481 A HA 0.076 4.397 4.320 0.003 0.000 0.211 481 A C 2.293 179.775 177.584 -0.170 0.000 1.207 481 A CA 1.832 53.769 52.037 -0.167 0.000 0.620 481 A CB -0.824 18.097 19.000 -0.132 0.000 0.860 481 A HN 0.706 nan 8.150 nan 0.000 0.450 482 T N -4.223 110.201 114.554 -0.217 0.000 3.065 482 T HA 0.203 4.555 4.350 0.003 0.000 0.252 482 T C 0.424 175.024 174.700 -0.167 0.000 1.099 482 T CA 0.982 62.983 62.100 -0.165 0.000 1.063 482 T CB 0.076 68.857 68.868 -0.146 0.000 0.948 482 T HN 0.467 nan 8.240 nan 0.000 0.506 483 E N 0.334 120.370 120.200 -0.273 0.000 4.342 483 E HA -0.125 4.227 4.350 0.003 0.000 0.384 483 E C 0.110 176.645 176.600 -0.109 0.000 0.603 483 E CA 1.087 57.393 56.400 -0.157 0.000 1.479 483 E CB -1.687 28.012 29.700 -0.001 0.000 1.846 483 E HN 0.967 nan 8.360 nan 0.000 0.361 484 E N -0.379 119.641 120.200 -0.299 0.000 2.412 484 E HA 0.630 4.982 4.350 0.003 0.000 0.255 484 E C -0.689 175.732 176.600 -0.298 0.000 0.933 484 E CA -0.768 55.574 56.400 -0.096 0.000 0.823 484 E CB 1.245 30.933 29.700 -0.020 0.000 1.352 484 E HN -0.043 nan 8.360 nan 0.000 0.406 485 Y N -1.421 118.877 120.300 -0.003 0.000 2.587 485 Y HA 0.711 5.263 4.550 0.003 0.000 0.337 485 Y C 0.627 176.368 175.900 -0.265 0.000 1.065 485 Y CA 0.337 58.357 58.100 -0.135 0.000 1.126 485 Y CB 2.511 40.941 38.460 -0.050 0.000 1.279 485 Y HN 0.925 nan 8.280 nan 0.000 0.489 486 G N 0.638 109.204 108.800 -0.391 0.000 2.333 486 G HA2 0.029 3.991 3.960 0.003 0.000 0.288 486 G HA3 0.029 3.991 3.960 0.003 0.000 0.288 486 G C -1.829 172.897 174.900 -0.291 0.000 1.286 486 G CA -1.332 43.592 45.100 -0.293 0.000 0.865 486 G HN 0.548 nan 8.290 nan 0.000 0.506 487 N N 0.994 119.662 118.700 -0.054 0.000 2.434 487 N HA 0.106 4.848 4.740 0.003 0.000 0.268 487 N C 1.872 177.355 175.510 -0.044 0.000 1.256 487 N CA -0.178 52.871 53.050 -0.001 0.000 0.914 487 N CB 0.491 39.004 38.487 0.044 0.000 1.088 487 N HN 0.396 nan 8.380 nan 0.000 0.478 488 M N 3.582 123.156 119.600 -0.044 0.000 2.202 488 M HA -0.161 4.321 4.480 0.003 0.000 0.262 488 M C 1.349 177.629 176.300 -0.034 0.000 1.063 488 M CA 0.987 56.255 55.300 -0.052 0.000 1.097 488 M CB -0.633 31.947 32.600 -0.034 0.000 1.382 488 M HN 0.565 nan 8.290 nan 0.000 0.413 489 I N 0.256 120.818 120.570 -0.013 0.000 2.163 489 I HA -0.256 3.916 4.170 0.003 0.000 0.240 489 I C 1.892 178.001 176.117 -0.013 0.000 1.081 489 I CA 1.492 62.787 61.300 -0.008 0.000 1.353 489 I CB -1.424 36.578 38.000 0.004 0.000 1.054 489 I HN 0.277 nan 8.210 nan 0.000 0.407 490 D N 0.270 120.664 120.400 -0.010 0.000 2.317 490 D HA -0.043 4.599 4.640 0.003 0.000 0.211 490 D C 2.163 178.448 176.300 -0.025 0.000 0.966 490 D CA 0.661 54.654 54.000 -0.012 0.000 0.876 490 D CB 0.131 40.930 40.800 -0.001 0.000 0.927 490 D HN 0.343 nan 8.370 nan 0.000 0.519 491 M N -0.615 118.961 119.600 -0.040 0.000 2.659 491 M HA 0.074 4.556 4.480 0.003 0.000 0.243 491 M C 1.283 177.550 176.300 -0.055 0.000 1.111 491 M CA 0.564 55.829 55.300 -0.059 0.000 1.070 491 M CB 0.475 33.020 32.600 -0.091 0.000 1.525 491 M HN 0.059 nan 8.290 nan 0.000 0.517 492 G N 1.536 110.311 108.800 -0.041 0.000 2.176 492 G HA2 -0.242 3.720 3.960 0.003 0.000 0.253 492 G HA3 -0.242 3.720 3.960 0.003 0.000 0.253 492 G C 0.139 175.017 174.900 -0.037 0.000 0.979 492 G CA -0.352 44.727 45.100 -0.035 0.000 0.641 492 G HN 0.487 nan 8.290 nan 0.000 0.530 493 I N 1.619 122.163 120.570 -0.044 0.000 2.308 493 I HA 0.432 4.604 4.170 0.003 0.000 0.293 493 I C 0.340 176.440 176.117 -0.029 0.000 1.078 493 I CA -0.187 61.087 61.300 -0.045 0.000 1.292 493 I CB 0.607 38.568 38.000 -0.065 0.000 1.423 493 I HN -0.027 nan 8.210 nan 0.000 0.493 494 L N 5.995 127.205 121.223 -0.022 0.000 2.356 494 L HA 0.459 4.800 4.340 0.003 0.000 0.277 494 L C -0.841 176.023 176.870 -0.010 0.000 0.996 494 L CA -0.844 53.988 54.840 -0.013 0.000 0.822 494 L CB 1.891 43.944 42.059 -0.010 0.000 1.256 494 L HN 0.430 nan 8.230 nan 0.000 0.413 495 D N 4.241 124.637 120.400 -0.006 0.000 2.225 495 D HA 0.305 4.947 4.640 0.003 0.000 0.248 495 D C -2.381 173.918 176.300 -0.001 0.000 1.096 495 D CA -1.487 52.511 54.000 -0.003 0.000 0.863 495 D CB 1.456 42.254 40.800 -0.002 0.000 1.156 495 D HN 0.132 nan 8.370 nan 0.000 0.450 496 P HA 0.040 nan 4.420 nan 0.000 0.268 496 P C 0.808 178.107 177.300 -0.002 0.000 1.204 496 P CA -0.032 63.070 63.100 0.003 0.000 0.768 496 P CB 0.690 32.396 31.700 0.010 0.000 0.842 497 T N 2.608 117.160 114.554 -0.003 0.000 2.652 497 T HA -0.208 4.144 4.350 0.003 0.000 0.267 497 T C 1.636 176.325 174.700 -0.017 0.000 1.039 497 T CA 1.486 63.580 62.100 -0.010 0.000 1.153 497 T CB -0.361 68.503 68.868 -0.007 0.000 0.863 497 T HN 0.494 nan 8.240 nan 0.000 0.428 498 K N 1.014 121.407 120.400 -0.010 0.000 2.044 498 K HA -0.148 4.174 4.320 0.003 0.000 0.210 498 K C 2.397 178.982 176.600 -0.025 0.000 1.049 498 K CA 1.836 58.114 56.287 -0.014 0.000 0.927 498 K CB -0.398 32.105 32.500 0.005 0.000 0.713 498 K HN 0.363 nan 8.250 nan 0.000 0.443 499 V N -1.341 118.568 119.914 -0.010 0.000 2.453 499 V HA -0.149 3.973 4.120 0.003 0.000 0.247 499 V C 1.863 177.936 176.094 -0.035 0.000 1.048 499 V CA 2.106 64.402 62.300 -0.007 0.000 1.049 499 V CB -0.953 30.879 31.823 0.016 0.000 0.672 499 V HN 0.294 nan 8.190 nan 0.000 0.457 500 T N 0.512 115.046 114.554 -0.033 0.000 2.674 500 T HA -0.134 4.218 4.350 0.003 0.000 0.265 500 T C 2.112 176.768 174.700 -0.073 0.000 1.039 500 T CA 1.944 64.020 62.100 -0.040 0.000 1.150 500 T CB -0.444 68.410 68.868 -0.024 0.000 0.864 500 T HN 0.426 nan 8.240 nan 0.000 0.427 501 R N 1.269 121.721 120.500 -0.080 0.000 2.091 501 R HA -0.052 4.290 4.340 0.003 0.000 0.238 501 R C 2.486 178.663 176.300 -0.204 0.000 1.136 501 R CA 1.775 57.811 56.100 -0.107 0.000 0.959 501 R CB -0.841 29.414 30.300 -0.075 0.000 0.856 501 R HN 0.334 nan 8.270 nan 0.000 0.437 502 S N 0.684 116.228 115.700 -0.260 0.000 2.355 502 S HA -0.063 4.409 4.470 0.003 0.000 0.222 502 S C 2.084 176.233 174.600 -0.751 0.000 1.031 502 S CA 1.124 58.974 58.200 -0.583 0.000 0.993 502 S CB -0.306 62.669 63.200 -0.375 0.000 0.859 502 S HN 0.544 nan 8.310 nan 0.000 0.453 503 A N 2.018 124.650 122.820 -0.313 0.000 1.908 503 A HA -0.053 4.269 4.320 0.003 0.000 0.218 503 A C 2.088 179.594 177.584 -0.129 0.000 1.181 503 A CA 1.165 53.117 52.037 -0.142 0.000 0.627 503 A CB -0.757 18.219 19.000 -0.041 0.000 0.818 503 A HN 0.434 nan 8.150 nan 0.000 0.445 504 L N -0.235 120.903 121.223 -0.141 0.000 2.046 504 L HA -0.213 4.129 4.340 0.003 0.000 0.208 504 L C 2.446 179.255 176.870 -0.102 0.000 1.077 504 L CA 2.388 57.173 54.840 -0.091 0.000 0.747 504 L CB -1.217 40.797 42.059 -0.075 0.000 0.896 504 L HN 0.550 nan 8.230 nan 0.000 0.432 505 Q N -1.122 118.558 119.800 -0.200 0.000 2.020 505 Q HA -0.238 4.104 4.340 0.003 0.000 0.202 505 Q C 2.080 178.079 176.000 -0.002 0.000 0.982 505 Q CA 1.950 57.666 55.803 -0.146 0.000 0.838 505 Q CB -0.277 28.316 28.738 -0.242 0.000 0.899 505 Q HN 0.497 nan 8.270 nan 0.000 0.423 506 Y N 0.067 120.369 120.300 0.003 0.000 2.242 506 Y HA -0.089 4.463 4.550 0.003 0.000 0.291 506 Y C 2.359 178.261 175.900 0.003 0.000 1.137 506 Y CA 0.513 58.615 58.100 0.002 0.000 1.181 506 Y CB -1.184 37.277 38.460 0.001 0.000 0.989 506 Y HN 0.122 nan 8.280 nan 0.000 0.527 507 A N 0.431 123.328 122.820 0.129 0.000 1.865 507 A HA -0.134 4.188 4.320 0.003 0.000 0.217 507 A C 2.535 180.152 177.584 0.054 0.000 1.191 507 A CA 2.323 54.403 52.037 0.072 0.000 0.623 507 A CB -1.236 17.788 19.000 0.039 0.000 0.826 507 A HN 0.379 nan 8.150 nan 0.000 0.444 508 A N -1.120 121.724 122.820 0.040 0.000 1.969 508 A HA -0.022 4.300 4.320 0.003 0.000 0.218 508 A C 2.435 180.044 177.584 0.042 0.000 1.169 508 A CA 2.010 54.065 52.037 0.031 0.000 0.635 508 A CB -0.844 18.166 19.000 0.015 0.000 0.810 508 A HN 0.569 nan 8.150 nan 0.000 0.445 509 S N -0.431 115.308 115.700 0.065 0.000 2.343 509 S HA -0.143 4.329 4.470 0.003 0.000 0.219 509 S C 1.926 176.556 174.600 0.051 0.000 1.033 509 S CA 1.810 60.050 58.200 0.067 0.000 1.014 509 S CB -0.543 62.722 63.200 0.109 0.000 0.915 509 S HN 0.299 nan 8.310 nan 0.000 0.435 510 V N 2.206 122.153 119.914 0.056 0.000 2.343 510 V HA -0.141 3.981 4.120 0.003 0.000 0.247 510 V C 2.828 178.940 176.094 0.030 0.000 1.051 510 V CA 1.839 64.161 62.300 0.037 0.000 1.036 510 V CB -1.346 30.500 31.823 0.038 0.000 0.654 510 V HN 0.627 nan 8.190 nan 0.000 0.451 511 A N 0.438 123.278 122.820 0.033 0.000 1.873 511 A HA -0.046 4.276 4.320 0.003 0.000 0.215 511 A C 2.406 180.004 177.584 0.023 0.000 1.186 511 A CA 1.782 53.835 52.037 0.026 0.000 0.616 511 A CB -1.210 17.805 19.000 0.026 0.000 0.823 511 A HN 0.523 nan 8.150 nan 0.000 0.442 512 G N -0.630 108.184 108.800 0.024 0.000 2.471 512 G HA2 -0.017 3.945 3.960 0.003 0.000 0.219 512 G HA3 -0.017 3.945 3.960 0.003 0.000 0.219 512 G C 1.398 176.309 174.900 0.018 0.000 1.125 512 G CA 0.866 45.978 45.100 0.020 0.000 0.775 512 G HN 0.427 nan 8.290 nan 0.000 0.548 513 L N -0.589 120.645 121.223 0.018 0.000 2.375 513 L HA 0.297 4.639 4.340 0.003 0.000 0.215 513 L C 2.608 179.485 176.870 0.012 0.000 1.108 513 L CA 0.245 55.093 54.840 0.014 0.000 0.830 513 L CB -0.090 41.977 42.059 0.013 0.000 0.959 513 L HN 0.247 nan 8.230 nan 0.000 0.457 514 M N 0.502 120.111 119.600 0.015 0.000 2.447 514 M HA -0.020 4.462 4.480 0.003 0.000 0.266 514 M C 2.261 178.572 176.300 0.017 0.000 1.120 514 M CA 1.092 56.401 55.300 0.015 0.000 1.166 514 M CB 0.252 32.862 32.600 0.017 0.000 1.349 514 M HN 0.248 nan 8.290 nan 0.000 0.463 515 I N -1.167 119.413 120.570 0.018 0.000 2.567 515 I HA -0.149 4.023 4.170 0.003 0.000 0.257 515 I C 1.667 177.796 176.117 0.019 0.000 1.184 515 I CA 1.667 62.978 61.300 0.019 0.000 1.451 515 I CB -1.222 36.789 38.000 0.018 0.000 1.089 515 I HN 0.289 nan 8.210 nan 0.000 0.441 516 T N -1.783 112.781 114.554 0.017 0.000 3.160 516 T HA 0.063 4.415 4.350 0.003 0.000 0.257 516 T C 0.867 175.577 174.700 0.017 0.000 1.147 516 T CA 0.096 62.206 62.100 0.017 0.000 1.064 516 T CB -1.103 67.774 68.868 0.014 0.000 0.949 516 T HN 0.310 nan 8.240 nan 0.000 0.526 517 T N 3.003 117.567 114.554 0.016 0.000 2.817 517 T HA 0.159 4.511 4.350 0.003 0.000 0.295 517 T C 0.825 175.536 174.700 0.019 0.000 0.958 517 T CA 0.028 62.136 62.100 0.013 0.000 1.157 517 T CB 1.063 69.941 68.868 0.016 0.000 0.898 517 T HN 0.295 nan 8.240 nan 0.000 0.536 518 E N 1.080 121.288 120.200 0.014 0.000 2.473 518 E HA 0.231 4.583 4.350 0.003 0.000 0.204 518 E C 0.007 176.602 176.600 -0.009 0.000 0.994 518 E CA -0.030 56.391 56.400 0.034 0.000 0.945 518 E CB 0.477 30.210 29.700 0.055 0.000 0.990 518 E HN 0.641 nan 8.360 nan 0.000 0.493 519 C N -0.184 119.062 119.300 -0.089 0.000 3.170 519 C HA 0.698 5.160 4.460 0.003 0.000 0.319 519 C C -1.703 173.212 174.990 -0.125 0.000 1.260 519 C CA -0.722 58.153 59.018 -0.239 0.000 1.374 519 C CB 0.694 28.116 27.740 -0.530 0.000 1.739 519 C HN 0.267 nan 8.230 nan 0.000 0.479 520 M N 4.109 123.664 119.600 -0.076 0.000 2.386 520 M HA 0.634 5.116 4.480 0.003 0.000 0.293 520 M C -1.309 175.055 176.300 0.108 0.000 1.120 520 M CA -0.523 54.816 55.300 0.065 0.000 0.909 520 M CB 2.190 34.948 32.600 0.264 0.000 1.661 520 M HN 0.376 nan 8.290 nan 0.000 0.452 521 V N 1.022 120.932 119.914 -0.006 0.000 2.638 521 V HA 0.886 5.008 4.120 0.003 0.000 0.306 521 V C -0.422 175.582 176.094 -0.151 0.000 1.052 521 V CA -0.421 61.861 62.300 -0.031 0.000 0.885 521 V CB 2.122 33.919 31.823 -0.043 0.000 0.999 521 V HN 0.966 nan 8.190 nan 0.000 0.424 522 T N 1.425 115.867 114.554 -0.187 0.000 2.700 522 T HA 0.299 4.650 4.350 0.003 0.000 0.307 522 T C -1.842 172.768 174.700 -0.149 0.000 1.580 522 T CA -0.606 61.340 62.100 -0.257 0.000 0.992 522 T CB 1.844 70.405 68.868 -0.513 0.000 1.577 522 T HN 0.642 nan 8.240 nan 0.000 0.496 523 D N 1.832 122.159 120.400 -0.123 0.000 2.423 523 D HA 0.274 4.916 4.640 0.003 0.000 0.238 523 D C 0.540 176.829 176.300 -0.018 0.000 1.142 523 D CA 0.086 54.053 54.000 -0.056 0.000 0.884 523 D CB 0.402 41.172 40.800 -0.051 0.000 1.199 523 D HN 0.444 nan 8.370 nan 0.000 0.438 524 L N 2.825 124.054 121.223 0.010 0.000 2.499 524 L HA 0.079 4.421 4.340 0.003 0.000 0.281 524 L C -1.212 175.677 176.870 0.032 0.000 1.234 524 L CA -0.918 53.943 54.840 0.035 0.000 0.839 524 L CB -0.059 42.019 42.059 0.030 0.000 1.104 524 L HN 0.338 nan 8.230 nan 0.000 0.500 525 P HA 0.570 nan 4.420 nan 0.000 0.344 525 P C -0.836 176.482 177.300 0.029 0.000 1.321 525 P CA -0.223 62.902 63.100 0.042 0.000 0.773 525 P CB 0.835 32.571 31.700 0.060 0.000 1.723 526 K N 0.000 120.416 120.400 0.027 0.000 2.780 526 K HA 0.000 4.322 4.320 0.003 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543