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 1sx4_1_E 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 TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.016 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 2 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 3 A N 2.128 124.942 122.820 -0.011 0.000 2.565 3 A HA 0.494 4.814 4.320 0.000 0.000 0.237 3 A C 0.298 177.873 177.584 -0.014 0.000 1.053 3 A CA 0.490 52.522 52.037 -0.007 0.000 0.755 3 A CB -0.082 18.917 19.000 -0.001 0.000 0.980 3 A HN 0.629 nan 8.150 nan 0.000 0.506 4 K N 1.422 121.816 120.400 -0.010 0.000 2.166 4 K HA 0.419 4.739 4.320 0.000 0.000 0.245 4 K C -1.154 175.449 176.600 0.005 0.000 0.967 4 K CA -0.731 55.545 56.287 -0.019 0.000 0.863 4 K CB 1.421 33.907 32.500 -0.023 0.000 1.107 4 K HN 0.682 nan 8.250 nan 0.000 0.436 5 D N 1.809 122.215 120.400 0.009 0.000 2.392 5 D HA 0.212 4.852 4.640 0.000 0.000 0.228 5 D C -0.918 175.482 176.300 0.167 0.000 1.074 5 D CA -0.542 53.518 54.000 0.100 0.000 0.838 5 D CB 0.953 41.838 40.800 0.142 0.000 1.067 5 D HN 0.280 nan 8.370 nan 0.000 0.511 6 V N 1.358 121.320 119.914 0.081 0.000 2.472 6 V HA 0.661 4.781 4.120 0.000 0.000 0.290 6 V C -0.305 175.698 176.094 -0.152 0.000 1.037 6 V CA -0.513 61.760 62.300 -0.046 0.000 0.908 6 V CB 1.520 33.210 31.823 -0.222 0.000 0.985 6 V HN 0.336 nan 8.190 nan 0.000 0.454 7 K N 3.773 124.009 120.400 -0.273 0.000 2.422 7 K HA 0.690 5.010 4.320 0.000 0.000 0.251 7 K C -1.606 174.744 176.600 -0.415 0.000 0.933 7 K CA -0.456 55.607 56.287 -0.373 0.000 0.798 7 K CB 2.283 34.380 32.500 -0.672 0.000 1.238 7 K HN 0.727 nan 8.250 nan 0.000 0.428 8 F N 0.195 120.100 119.950 -0.075 0.000 2.594 8 F HA 0.410 4.937 4.527 0.000 0.000 0.335 8 F C 1.465 177.233 175.800 -0.053 0.000 1.058 8 F CA 0.114 58.089 58.000 -0.042 0.000 0.981 8 F CB 1.486 40.470 39.000 -0.027 0.000 1.289 8 F HN 0.808 nan 8.300 nan 0.000 0.490 9 G N 1.609 110.534 108.800 0.209 0.000 2.627 9 G HA2 -0.528 3.432 3.960 0.000 0.000 0.400 9 G HA3 -0.528 3.432 3.960 0.000 0.000 0.400 9 G C 1.008 175.930 174.900 0.037 0.000 1.334 9 G CA 1.432 46.588 45.100 0.093 0.000 0.960 9 G HN 0.913 nan 8.290 nan 0.000 0.533 10 N N 0.051 118.763 118.700 0.021 0.000 2.058 10 N HA -0.106 4.634 4.740 0.000 0.000 0.191 10 N C 1.851 177.349 175.510 -0.020 0.000 1.037 10 N CA 2.252 55.303 53.050 0.001 0.000 0.848 10 N CB -0.394 38.093 38.487 -0.000 0.000 1.021 10 N HN 0.559 nan 8.380 nan 0.000 0.422 11 D N -0.301 120.081 120.400 -0.029 0.000 2.303 11 D HA -0.276 4.364 4.640 0.000 0.000 0.190 11 D C 1.786 178.011 176.300 -0.126 0.000 1.011 11 D CA 2.290 56.246 54.000 -0.073 0.000 0.860 11 D CB -0.748 40.009 40.800 -0.072 0.000 0.961 11 D HN 0.509 nan 8.370 nan 0.000 0.453 12 A N -0.023 122.720 122.820 -0.129 0.000 1.902 12 A HA -0.173 4.147 4.320 0.000 0.000 0.217 12 A C 2.198 179.735 177.584 -0.080 0.000 1.181 12 A CA 1.585 53.515 52.037 -0.179 0.000 0.623 12 A CB -0.377 18.548 19.000 -0.125 0.000 0.818 12 A HN 0.177 nan 8.150 nan 0.000 0.443 13 R N -0.740 119.739 120.500 -0.034 0.000 2.073 13 R HA -0.078 4.262 4.340 0.000 0.000 0.234 13 R C 2.067 178.361 176.300 -0.010 0.000 1.134 13 R CA 1.415 57.511 56.100 -0.008 0.000 0.952 13 R CB -0.687 29.615 30.300 0.003 0.000 0.850 13 R HN 0.377 nan 8.270 nan 0.000 0.433 14 V N 2.133 122.033 119.914 -0.022 0.000 2.287 14 V HA -0.300 3.820 4.120 0.000 0.000 0.248 14 V C 2.298 178.384 176.094 -0.012 0.000 1.053 14 V CA 1.775 64.065 62.300 -0.017 0.000 1.027 14 V CB -0.391 31.417 31.823 -0.025 0.000 0.646 14 V HN 0.308 nan 8.190 nan 0.000 0.447 15 K N -0.555 119.826 120.400 -0.032 0.000 2.002 15 K HA -0.184 4.136 4.320 0.000 0.000 0.209 15 K C 2.152 178.777 176.600 0.041 0.000 1.048 15 K CA 1.766 58.056 56.287 0.005 0.000 0.930 15 K CB -0.686 31.811 32.500 -0.004 0.000 0.714 15 K HN 0.406 nan 8.250 nan 0.000 0.438 16 M N 0.907 120.533 119.600 0.042 0.000 2.143 16 M HA -0.222 4.258 4.480 0.000 0.000 0.258 16 M C 2.106 178.429 176.300 0.037 0.000 1.071 16 M CA 1.453 56.786 55.300 0.054 0.000 1.088 16 M CB -0.083 32.544 32.600 0.045 0.000 1.360 16 M HN 0.122 nan 8.290 nan 0.000 0.404 17 L N -0.022 121.216 121.223 0.024 0.000 2.131 17 L HA -0.068 4.272 4.340 0.000 0.000 0.206 17 L C 2.154 179.036 176.870 0.019 0.000 1.087 17 L CA 1.560 56.411 54.840 0.019 0.000 0.767 17 L CB -0.492 41.574 42.059 0.013 0.000 0.917 17 L HN 0.175 nan 8.230 nan 0.000 0.441 18 R N -0.151 120.361 120.500 0.021 0.000 2.091 18 R HA -0.108 4.232 4.340 0.000 0.000 0.238 18 R C 2.230 178.544 176.300 0.023 0.000 1.136 18 R CA 1.239 57.351 56.100 0.020 0.000 0.959 18 R CB -1.225 29.088 30.300 0.022 0.000 0.856 18 R HN 0.563 nan 8.270 nan 0.000 0.437 19 G N 1.152 109.971 108.800 0.032 0.000 2.586 19 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 19 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 19 G C 1.518 176.431 174.900 0.021 0.000 1.216 19 G CA 1.458 46.576 45.100 0.030 0.000 0.786 19 G HN 0.158 nan 8.290 nan 0.000 0.583 20 V N 1.471 121.398 119.914 0.021 0.000 2.250 20 V HA -0.347 3.773 4.120 0.000 0.000 0.250 20 V C 2.490 178.592 176.094 0.013 0.000 1.060 20 V CA 2.444 64.754 62.300 0.017 0.000 1.030 20 V CB -1.050 30.783 31.823 0.018 0.000 0.643 20 V HN 0.487 nan 8.190 nan 0.000 0.445 21 N N -0.174 118.534 118.700 0.013 0.000 2.104 21 N HA -0.157 4.583 4.740 0.000 0.000 0.190 21 N C 1.739 177.254 175.510 0.008 0.000 1.024 21 N CA 1.427 54.483 53.050 0.010 0.000 0.853 21 N CB -0.246 38.248 38.487 0.010 0.000 1.008 21 N HN 0.340 nan 8.380 nan 0.000 0.424 22 V N 1.659 121.579 119.914 0.009 0.000 2.295 22 V HA -0.185 3.935 4.120 0.000 0.000 0.246 22 V C 2.193 178.290 176.094 0.004 0.000 1.049 22 V CA 1.172 63.476 62.300 0.007 0.000 1.024 22 V CB -0.619 31.209 31.823 0.007 0.000 0.648 22 V HN 0.384 nan 8.190 nan 0.000 0.447 23 L N 1.330 122.556 121.223 0.005 0.000 1.976 23 L HA -0.102 4.238 4.340 0.000 0.000 0.209 23 L C 2.542 179.414 176.870 0.004 0.000 1.071 23 L CA 2.851 57.693 54.840 0.003 0.000 0.746 23 L CB -1.753 40.308 42.059 0.004 0.000 0.890 23 L HN 0.272 nan 8.230 nan 0.000 0.432 24 A N 0.040 122.864 122.820 0.006 0.000 1.903 24 A HA -0.281 4.039 4.320 0.000 0.000 0.219 24 A C 1.887 179.474 177.584 0.005 0.000 1.191 24 A CA 2.182 54.223 52.037 0.007 0.000 0.638 24 A CB -1.061 17.945 19.000 0.009 0.000 0.823 24 A HN 0.601 nan 8.150 nan 0.000 0.451 25 D N -0.081 120.322 120.400 0.004 0.000 2.218 25 D HA 0.002 4.642 4.640 0.000 0.000 0.204 25 D C 2.003 178.304 176.300 0.001 0.000 0.976 25 D CA 1.361 55.362 54.000 0.003 0.000 0.853 25 D CB -0.371 40.431 40.800 0.003 0.000 0.939 25 D HN 0.486 nan 8.370 nan 0.000 0.481 26 A N 0.123 122.942 122.820 -0.000 0.000 2.014 26 A HA -0.033 4.287 4.320 0.000 0.000 0.218 26 A C 2.259 179.842 177.584 -0.002 0.000 1.163 26 A CA 0.710 52.746 52.037 -0.003 0.000 0.652 26 A CB -0.141 18.856 19.000 -0.005 0.000 0.808 26 A HN 0.170 nan 8.150 nan 0.000 0.449 27 V N -0.167 119.747 119.914 -0.000 0.000 2.825 27 V HA -0.113 4.007 4.120 0.000 0.000 0.246 27 V C 2.171 178.266 176.094 0.002 0.000 1.068 27 V CA 1.434 63.734 62.300 -0.000 0.000 1.088 27 V CB -0.457 31.366 31.823 0.001 0.000 0.733 27 V HN 0.454 nan 8.190 nan 0.000 0.468 28 K N 1.041 121.442 120.400 0.003 0.000 2.113 28 K HA -0.184 4.136 4.320 0.000 0.000 0.208 28 K C 2.117 178.719 176.600 0.003 0.000 1.047 28 K CA 1.878 58.168 56.287 0.005 0.000 0.928 28 K CB -0.667 31.836 32.500 0.005 0.000 0.716 28 K HN 0.571 nan 8.250 nan 0.000 0.446 29 V N 0.014 119.929 119.914 0.001 0.000 2.688 29 V HA -0.186 3.934 4.120 0.000 0.000 0.256 29 V C 2.024 178.119 176.094 0.001 0.000 1.084 29 V CA 2.142 64.443 62.300 0.001 0.000 1.103 29 V CB -1.581 30.242 31.823 -0.001 0.000 0.688 29 V HN 0.377 nan 8.190 nan 0.000 0.480 30 T N -2.145 112.410 114.554 0.001 0.000 3.235 30 T HA 0.375 4.725 4.350 0.000 0.000 0.251 30 T C 0.145 174.848 174.700 0.004 0.000 1.060 30 T CA -0.228 61.873 62.100 0.001 0.000 0.949 30 T CB -0.217 68.651 68.868 0.000 0.000 1.020 30 T HN 0.357 nan 8.240 nan 0.000 0.564 31 L N 2.076 123.303 121.223 0.006 0.000 2.275 31 L HA 0.705 5.045 4.340 0.000 0.000 0.288 31 L C 0.532 177.408 176.870 0.010 0.000 1.046 31 L CA 1.117 55.963 54.840 0.009 0.000 0.805 31 L CB 0.227 42.292 42.059 0.011 0.000 1.193 31 L HN 0.614 nan 8.230 nan 0.000 0.426 32 G N 4.707 113.513 108.800 0.010 0.000 2.712 32 G HA2 -0.142 3.818 3.960 0.000 0.000 0.683 32 G HA3 -0.142 3.818 3.960 0.000 0.000 0.683 32 G C -2.317 172.586 174.900 0.004 0.000 1.320 32 G CA -0.322 44.784 45.100 0.010 0.000 0.847 32 G HN 0.527 nan 8.290 nan 0.000 0.553 33 P HA -0.019 nan 4.420 nan 0.000 0.218 33 P C 1.009 178.306 177.300 -0.005 0.000 1.149 33 P CA 1.283 64.378 63.100 -0.008 0.000 0.817 33 P CB 0.060 31.748 31.700 -0.020 0.000 0.785 34 K N 0.695 121.095 120.400 0.001 0.000 2.790 34 K HA 0.215 4.535 4.320 0.000 0.000 0.229 34 K C 1.122 177.725 176.600 0.004 0.000 1.040 34 K CA -0.341 55.947 56.287 0.003 0.000 1.211 34 K CB -0.287 32.218 32.500 0.009 0.000 1.002 34 K HN 0.109 nan 8.250 nan 0.000 0.479 35 G N 0.800 109.602 108.800 0.002 0.000 2.572 35 G HA2 0.231 4.191 3.960 0.000 0.000 0.261 35 G HA3 0.231 4.191 3.960 0.000 0.000 0.261 35 G C -0.210 174.690 174.900 0.001 0.000 1.197 35 G CA -0.490 44.612 45.100 0.003 0.000 0.870 35 G HN 0.236 nan 8.290 nan 0.000 0.548 36 R N -0.298 120.202 120.500 -0.000 0.000 2.912 36 R HA 0.351 4.691 4.340 0.000 0.000 0.262 36 R C -0.676 175.622 176.300 -0.003 0.000 1.057 36 R CA -1.005 55.093 56.100 -0.002 0.000 0.981 36 R CB 1.465 31.764 30.300 -0.002 0.000 1.201 36 R HN 0.472 nan 8.270 nan 0.000 0.484 37 N N -0.118 118.579 118.700 -0.005 0.000 2.477 37 N HA 0.408 5.148 4.740 0.000 0.000 0.284 37 N C -0.850 174.655 175.510 -0.009 0.000 1.182 37 N CA -0.392 52.655 53.050 -0.006 0.000 0.949 37 N CB 1.846 40.329 38.487 -0.007 0.000 1.204 37 N HN 0.115 nan 8.380 nan 0.000 0.526 38 V N 0.700 120.607 119.914 -0.011 0.000 2.815 38 V HA 0.476 4.596 4.120 0.000 0.000 0.314 38 V C -0.136 175.946 176.094 -0.020 0.000 1.064 38 V CA -0.802 61.489 62.300 -0.014 0.000 0.952 38 V CB 2.187 34.002 31.823 -0.014 0.000 1.020 38 V HN 0.286 nan 8.190 nan 0.000 0.439 39 V N 4.650 124.549 119.914 -0.025 0.000 2.409 39 V HA 0.490 4.610 4.120 0.000 0.000 0.291 39 V C -0.434 175.633 176.094 -0.044 0.000 1.020 39 V CA -0.440 61.840 62.300 -0.034 0.000 0.848 39 V CB 1.431 33.233 31.823 -0.033 0.000 0.990 39 V HN 0.604 nan 8.190 nan 0.000 0.430 40 L N 3.744 124.933 121.223 -0.057 0.000 2.296 40 L HA 0.560 4.900 4.340 0.000 0.000 0.286 40 L C 0.139 176.938 176.870 -0.118 0.000 1.023 40 L CA -0.493 54.301 54.840 -0.076 0.000 0.812 40 L CB 1.452 43.471 42.059 -0.067 0.000 1.223 40 L HN 0.514 nan 8.230 nan 0.000 0.421 41 D N 2.770 123.091 120.400 -0.131 0.000 2.384 41 D HA 0.297 4.937 4.640 0.000 0.000 0.244 41 D C -0.587 175.519 176.300 -0.323 0.000 1.251 41 D CA 0.070 53.965 54.000 -0.175 0.000 0.961 41 D CB 0.865 41.586 40.800 -0.131 0.000 1.116 41 D HN 0.379 nan 8.370 nan 0.000 0.484 42 K N -0.354 119.796 120.400 -0.416 0.000 2.606 42 K HA 0.139 4.459 4.320 0.000 0.000 0.259 42 K C 0.665 176.912 176.600 -0.588 0.000 1.001 42 K CA -0.277 55.476 56.287 -0.889 0.000 0.881 42 K CB 1.243 33.129 32.500 -1.023 0.000 1.288 42 K HN 0.286 nan 8.250 nan 0.000 0.452 43 S N 2.915 118.391 115.700 -0.374 0.000 2.382 43 S HA -0.167 4.303 4.470 0.000 0.000 0.228 43 S C 1.594 176.322 174.600 0.213 0.000 1.027 43 S CA 0.948 59.180 58.200 0.052 0.000 0.991 43 S CB -0.620 62.697 63.200 0.195 0.000 0.823 43 S HN 0.506 nan 8.310 nan 0.000 0.469 44 F N 2.883 122.831 119.950 -0.004 0.000 2.397 44 F HA 0.067 4.594 4.527 0.000 0.000 0.308 44 F C 1.934 177.732 175.800 -0.003 0.000 1.335 44 F CA 0.456 58.454 58.000 -0.004 0.000 1.282 44 F CB -1.817 37.181 39.000 -0.004 0.000 0.881 44 F HN 0.461 nan 8.300 nan 0.000 0.606 45 G N -1.716 107.182 108.800 0.164 0.000 3.291 45 G HA2 0.606 4.566 3.960 0.000 0.000 0.173 45 G HA3 0.606 4.566 3.960 0.000 0.000 0.173 45 G C -0.899 173.999 174.900 -0.002 0.000 1.099 45 G CA -0.224 44.917 45.100 0.069 0.000 0.794 45 G HN 0.634 nan 8.290 nan 0.000 0.651 46 A N 0.583 123.402 122.820 -0.001 0.000 2.520 46 A HA 0.567 4.887 4.320 0.000 0.000 0.235 46 A C -1.850 175.697 177.584 -0.061 0.000 1.065 46 A CA -0.299 51.722 52.037 -0.026 0.000 0.764 46 A CB -0.557 18.436 19.000 -0.011 0.000 1.002 46 A HN 0.357 nan 8.150 nan 0.000 0.502 47 P HA 0.239 nan 4.420 nan 0.000 0.274 47 P C -0.128 177.132 177.300 -0.067 0.000 1.264 47 P CA 0.072 63.113 63.100 -0.098 0.000 0.795 47 P CB 0.418 32.071 31.700 -0.079 0.000 1.064 48 T N 0.681 115.194 114.554 -0.068 0.000 2.841 48 T HA 0.570 4.920 4.350 0.000 0.000 0.285 48 T C -0.313 174.367 174.700 -0.034 0.000 0.991 48 T CA -0.333 61.742 62.100 -0.042 0.000 0.966 48 T CB 0.083 68.924 68.868 -0.045 0.000 0.962 48 T HN 0.108 nan 8.240 nan 0.000 0.438 49 I N 2.877 123.435 120.570 -0.020 0.000 2.354 49 I HA 0.565 4.735 4.170 0.000 0.000 0.292 49 I C 0.472 176.582 176.117 -0.010 0.000 0.989 49 I CA -0.433 60.857 61.300 -0.017 0.000 1.188 49 I CB 1.849 39.842 38.000 -0.013 0.000 1.342 49 I HN 0.436 nan 8.210 nan 0.000 0.457 50 T N 4.154 118.701 114.554 -0.010 0.000 2.883 50 T HA 0.331 4.681 4.350 0.000 0.000 0.301 50 T C -0.097 174.600 174.700 -0.005 0.000 1.158 50 T CA -0.629 61.467 62.100 -0.006 0.000 1.007 50 T CB 1.747 70.612 68.868 -0.005 0.000 1.186 50 T HN 0.698 nan 8.240 nan 0.000 0.499 51 K N 1.517 121.915 120.400 -0.002 0.000 2.455 51 K HA 0.231 4.551 4.320 0.000 0.000 0.206 51 K C -0.622 175.977 176.600 -0.001 0.000 1.027 51 K CA -0.128 56.158 56.287 -0.002 0.000 1.113 51 K CB 0.250 32.750 32.500 0.000 0.000 0.850 51 K HN 0.556 nan 8.250 nan 0.000 0.503 52 D N -1.222 119.176 120.400 -0.003 0.000 2.440 52 D HA 0.198 4.839 4.640 0.000 0.000 0.239 52 D C 1.124 177.420 176.300 -0.007 0.000 1.084 52 D CA -0.455 53.542 54.000 -0.004 0.000 0.843 52 D CB 1.475 42.273 40.800 -0.004 0.000 1.097 52 D HN 0.102 nan 8.370 nan 0.000 0.531 53 G N 2.408 111.204 108.800 -0.007 0.000 2.513 53 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 53 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 53 G C 1.471 176.364 174.900 -0.011 0.000 1.160 53 G CA 0.981 46.077 45.100 -0.007 0.000 0.767 53 G HN 0.528 nan 8.290 nan 0.000 0.571 54 V N 0.317 120.221 119.914 -0.017 0.000 2.626 54 V HA -0.090 4.030 4.120 0.000 0.000 0.252 54 V C 2.801 178.887 176.094 -0.014 0.000 1.067 54 V CA 2.630 64.917 62.300 -0.021 0.000 1.081 54 V CB -0.266 31.536 31.823 -0.035 0.000 0.686 54 V HN 0.322 nan 8.190 nan 0.000 0.468 55 S N -0.346 115.348 115.700 -0.010 0.000 2.355 55 S HA -0.133 4.337 4.470 0.000 0.000 0.222 55 S C 1.851 176.448 174.600 -0.005 0.000 1.031 55 S CA 1.613 59.810 58.200 -0.004 0.000 0.993 55 S CB -0.080 63.119 63.200 -0.002 0.000 0.859 55 S HN 0.506 nan 8.310 nan 0.000 0.453 56 V N 1.863 121.772 119.914 -0.008 0.000 2.343 56 V HA -0.174 3.946 4.120 0.000 0.000 0.247 56 V C 2.583 178.672 176.094 -0.008 0.000 1.051 56 V CA 1.719 64.013 62.300 -0.010 0.000 1.036 56 V CB -1.082 30.736 31.823 -0.009 0.000 0.654 56 V HN 0.525 nan 8.190 nan 0.000 0.451 57 A N 0.198 123.013 122.820 -0.008 0.000 1.898 57 A HA -0.184 4.136 4.320 0.000 0.000 0.216 57 A C 2.276 179.856 177.584 -0.006 0.000 1.181 57 A CA 1.358 53.391 52.037 -0.007 0.000 0.620 57 A CB -0.482 18.512 19.000 -0.009 0.000 0.819 57 A HN 0.475 nan 8.150 nan 0.000 0.442 58 R N 0.054 120.550 120.500 -0.006 0.000 2.226 58 R HA -0.150 4.190 4.340 0.000 0.000 0.246 58 R C 1.233 177.535 176.300 0.004 0.000 1.161 58 R CA 1.322 57.421 56.100 -0.001 0.000 0.997 58 R CB -0.484 29.819 30.300 0.004 0.000 0.870 58 R HN 0.548 nan 8.270 nan 0.000 0.465 59 E N 0.469 120.669 120.200 -0.000 0.000 2.371 59 E HA 0.044 4.394 4.350 0.000 0.000 0.194 59 E C 0.712 177.309 176.600 -0.006 0.000 1.012 59 E CA 0.233 56.631 56.400 -0.003 0.000 0.860 59 E CB 0.164 29.855 29.700 -0.016 0.000 0.811 59 E HN 0.180 nan 8.360 nan 0.000 0.502 60 I N 2.071 122.638 120.570 -0.005 0.000 2.396 60 I HA 0.163 4.333 4.170 0.000 0.000 0.289 60 I C 0.391 176.505 176.117 -0.004 0.000 1.056 60 I CA 0.117 61.414 61.300 -0.005 0.000 1.365 60 I CB 0.372 38.370 38.000 -0.004 0.000 1.407 60 I HN -0.058 nan 8.210 nan 0.000 0.509 61 E N 6.248 126.445 120.200 -0.004 0.000 2.290 61 E HA 0.481 4.831 4.350 0.000 0.000 0.274 61 E C -1.911 174.686 176.600 -0.005 0.000 0.889 61 E CA -0.669 55.728 56.400 -0.005 0.000 0.760 61 E CB 2.170 31.867 29.700 -0.006 0.000 1.206 61 E HN 0.245 nan 8.360 nan 0.000 0.419 62 L N 3.174 124.394 121.223 -0.005 0.000 2.322 62 L HA 0.320 4.660 4.340 0.000 0.000 0.269 62 L C 1.283 178.151 176.870 -0.004 0.000 1.012 62 L CA -0.042 54.797 54.840 -0.000 0.000 0.815 62 L CB 1.453 43.517 42.059 0.008 0.000 1.295 62 L HN 0.839 nan 8.230 nan 0.000 0.438 63 E N 0.156 120.357 120.200 0.002 0.000 2.086 63 E HA -0.106 4.244 4.350 0.000 0.000 0.190 63 E C 0.237 176.837 176.600 0.001 0.000 0.975 63 E CA 0.308 56.707 56.400 -0.001 0.000 0.813 63 E CB 0.156 29.857 29.700 0.002 0.000 0.768 63 E HN 0.638 nan 8.360 nan 0.000 0.457 64 D N 0.907 121.319 120.400 0.020 0.000 2.412 64 D HA -0.064 4.576 4.640 0.000 0.000 0.257 64 D C 0.536 176.844 176.300 0.013 0.000 1.217 64 D CA 0.034 54.061 54.000 0.044 0.000 0.897 64 D CB 0.853 41.701 40.800 0.081 0.000 1.132 64 D HN 0.056 nan 8.370 nan 0.000 0.493 65 K N 3.540 123.903 120.400 -0.061 0.000 2.211 65 K HA -0.157 4.163 4.320 0.000 0.000 0.204 65 K C 1.713 178.167 176.600 -0.242 0.000 1.047 65 K CA 1.002 57.171 56.287 -0.196 0.000 0.935 65 K CB -0.221 32.076 32.500 -0.338 0.000 0.728 65 K HN 0.504 nan 8.250 nan 0.000 0.452 66 F N 1.345 121.285 119.950 -0.018 0.000 2.187 66 F HA -0.011 4.516 4.527 0.000 0.000 0.295 66 F C 2.322 178.114 175.800 -0.014 0.000 1.091 66 F CA 0.821 58.809 58.000 -0.020 0.000 1.308 66 F CB -0.344 38.643 39.000 -0.022 0.000 1.030 66 F HN 0.072 nan 8.300 nan 0.000 0.487 67 E N 0.066 120.372 120.200 0.177 0.000 2.110 67 E HA -0.263 4.087 4.350 0.000 0.000 0.193 67 E C 1.816 178.450 176.600 0.056 0.000 0.988 67 E CA 1.329 57.786 56.400 0.095 0.000 0.804 67 E CB -0.315 29.426 29.700 0.069 0.000 0.745 67 E HN 0.303 nan 8.360 nan 0.000 0.458 68 N N 0.538 119.256 118.700 0.029 0.000 2.120 68 N HA -0.151 4.589 4.740 0.000 0.000 0.188 68 N C 1.724 177.233 175.510 -0.001 0.000 1.024 68 N CA 1.276 54.326 53.050 0.000 0.000 0.852 68 N CB 0.011 38.482 38.487 -0.026 0.000 1.003 68 N HN 0.073 nan 8.380 nan 0.000 0.424 69 M N -0.704 118.896 119.600 -0.001 0.000 2.159 69 M HA -0.022 4.458 4.480 0.000 0.000 0.263 69 M C 2.130 178.443 176.300 0.021 0.000 1.063 69 M CA 1.488 56.788 55.300 0.000 0.000 1.110 69 M CB -0.497 32.104 32.600 0.001 0.000 1.374 69 M HN 0.333 nan 8.290 nan 0.000 0.411 70 G N 0.076 108.900 108.800 0.040 0.000 2.459 70 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 70 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 70 G C 1.581 176.493 174.900 0.021 0.000 1.183 70 G CA 1.116 46.237 45.100 0.035 0.000 0.776 70 G HN 0.551 nan 8.290 nan 0.000 0.552 71 A N -0.478 122.353 122.820 0.017 0.000 1.929 71 A HA 0.023 4.343 4.320 0.000 0.000 0.216 71 A C 2.324 179.910 177.584 0.004 0.000 1.176 71 A CA 1.637 53.679 52.037 0.010 0.000 0.628 71 A CB -0.238 18.766 19.000 0.008 0.000 0.816 71 A HN 0.313 nan 8.150 nan 0.000 0.444 72 Q N -0.848 118.952 119.800 0.001 0.000 2.436 72 Q HA 0.038 4.378 4.340 0.000 0.000 0.209 72 Q C 1.851 177.849 176.000 -0.004 0.000 0.965 72 Q CA 0.830 56.630 55.803 -0.005 0.000 0.910 72 Q CB -0.203 28.528 28.738 -0.011 0.000 0.980 72 Q HN 0.773 nan 8.270 nan 0.000 0.491 73 M N -0.525 119.077 119.600 0.003 0.000 2.240 73 M HA -0.089 4.391 4.480 0.000 0.000 0.257 73 M C 2.180 178.484 176.300 0.007 0.000 1.107 73 M CA 0.950 56.254 55.300 0.006 0.000 1.169 73 M CB -0.251 32.357 32.600 0.013 0.000 1.307 73 M HN 0.003 nan 8.290 nan 0.000 0.447 74 V N -0.357 119.564 119.914 0.011 0.000 2.568 74 V HA -0.240 3.880 4.120 0.000 0.000 0.253 74 V C 2.098 178.195 176.094 0.004 0.000 1.072 74 V CA 1.841 64.148 62.300 0.012 0.000 1.084 74 V CB -1.463 30.369 31.823 0.014 0.000 0.676 74 V HN 0.516 nan 8.190 nan 0.000 0.469 75 K N 0.823 121.223 120.400 -0.001 0.000 2.281 75 K HA -0.243 4.077 4.320 0.000 0.000 0.203 75 K C 2.078 178.665 176.600 -0.021 0.000 1.046 75 K CA 1.838 58.120 56.287 -0.009 0.000 0.938 75 K CB -0.115 32.380 32.500 -0.009 0.000 0.737 75 K HN 0.681 nan 8.250 nan 0.000 0.458 76 E N 0.595 120.782 120.200 -0.022 0.000 2.481 76 E HA -0.083 4.267 4.350 0.000 0.000 0.195 76 E C 1.737 178.298 176.600 -0.065 0.000 1.047 76 E CA 0.331 56.705 56.400 -0.044 0.000 0.867 76 E CB 0.299 29.977 29.700 -0.036 0.000 0.858 76 E HN 0.292 nan 8.360 nan 0.000 0.513 77 V N -0.441 119.457 119.914 -0.027 0.000 2.323 77 V HA -0.062 4.058 4.120 0.000 0.000 0.244 77 V C 2.178 178.249 176.094 -0.038 0.000 1.041 77 V CA 1.782 64.078 62.300 -0.006 0.000 1.025 77 V CB -0.294 31.561 31.823 0.052 0.000 0.656 77 V HN 0.244 nan 8.190 nan 0.000 0.451 78 A N 0.093 122.897 122.820 -0.026 0.000 1.933 78 A HA -0.182 4.138 4.320 0.000 0.000 0.218 78 A C 2.601 180.147 177.584 -0.063 0.000 1.175 78 A CA 2.443 54.462 52.037 -0.029 0.000 0.628 78 A CB -1.051 17.938 19.000 -0.018 0.000 0.814 78 A HN 0.771 nan 8.150 nan 0.000 0.444 79 S N -1.284 114.368 115.700 -0.080 0.000 2.414 79 S HA -0.083 4.387 4.470 0.000 0.000 0.227 79 S C 2.128 176.633 174.600 -0.158 0.000 1.022 79 S CA 1.373 59.516 58.200 -0.096 0.000 0.958 79 S CB -0.208 62.947 63.200 -0.075 0.000 0.797 79 S HN 0.413 nan 8.310 nan 0.000 0.493 80 K N 1.247 121.493 120.400 -0.258 0.000 2.044 80 K HA 0.239 4.559 4.320 0.000 0.000 0.204 80 K C 2.354 178.641 176.600 -0.521 0.000 1.049 80 K CA 1.041 57.045 56.287 -0.471 0.000 0.945 80 K CB -0.964 31.081 32.500 -0.758 0.000 0.724 80 K HN 0.373 nan 8.250 nan 0.000 0.440 81 A N 2.218 124.812 122.820 -0.376 0.000 1.971 81 A HA -0.268 4.052 4.320 0.000 0.000 0.222 81 A C 1.991 179.543 177.584 -0.053 0.000 1.182 81 A CA 2.301 54.309 52.037 -0.048 0.000 0.649 81 A CB -0.784 18.245 19.000 0.049 0.000 0.818 81 A HN 0.557 nan 8.150 nan 0.000 0.458 82 N N -1.176 117.463 118.700 -0.102 0.000 2.290 82 N HA -0.125 4.615 4.740 0.000 0.000 0.179 82 N C 0.709 176.155 175.510 -0.108 0.000 1.016 82 N CA 1.119 54.109 53.050 -0.100 0.000 0.871 82 N CB -0.109 38.322 38.487 -0.094 0.000 0.987 82 N HN 0.375 nan 8.380 nan 0.000 0.431 83 D N 0.691 121.030 120.400 -0.102 0.000 2.269 83 D HA -0.018 4.622 4.640 0.000 0.000 0.208 83 D C 1.630 177.916 176.300 -0.023 0.000 0.963 83 D CA 0.485 54.446 54.000 -0.064 0.000 0.864 83 D CB 0.036 40.794 40.800 -0.070 0.000 0.936 83 D HN 0.387 nan 8.370 nan 0.000 0.505 84 A N 0.367 123.178 122.820 -0.015 0.000 1.903 84 A HA 0.322 4.642 4.320 0.000 0.000 0.213 84 A C 1.854 179.486 177.584 0.080 0.000 1.185 84 A CA 1.525 53.607 52.037 0.075 0.000 0.628 84 A CB 0.205 19.329 19.000 0.208 0.000 0.830 84 A HN 0.192 nan 8.150 nan 0.000 0.446 85 A N -2.553 120.295 122.820 0.045 0.000 2.704 85 A HA 0.473 4.793 4.320 0.000 0.000 0.260 85 A C 1.378 178.940 177.584 -0.036 0.000 1.144 85 A CA 0.931 53.001 52.037 0.054 0.000 0.985 85 A CB -0.645 18.397 19.000 0.070 0.000 1.256 85 A HN 1.827 nan 8.150 nan 0.000 0.598 86 G N 0.135 108.830 108.800 -0.174 0.000 2.416 86 G HA2 -0.183 3.777 3.960 0.000 0.000 0.301 86 G HA3 -0.183 3.777 3.960 0.000 0.000 0.301 86 G C -0.142 174.651 174.900 -0.178 0.000 0.985 86 G CA 1.088 45.968 45.100 -0.365 0.000 0.934 86 G HN 0.714 nan 8.290 nan 0.000 0.513 87 D N -2.420 117.943 120.400 -0.063 0.000 2.653 87 D HA 0.514 5.154 4.640 0.000 0.000 0.258 87 D C 0.839 177.143 176.300 0.006 0.000 1.252 87 D CA 0.793 54.782 54.000 -0.018 0.000 0.777 87 D CB 0.690 41.498 40.800 0.014 0.000 1.339 87 D HN 1.189 nan 8.370 nan 0.000 0.422 88 G N 0.501 109.307 108.800 0.011 0.000 2.157 88 G HA2 -0.331 3.629 3.960 0.000 0.000 0.248 88 G HA3 -0.331 3.629 3.960 0.000 0.000 0.248 88 G C 1.056 175.971 174.900 0.025 0.000 0.979 88 G CA 1.713 46.826 45.100 0.023 0.000 0.650 88 G HN 0.857 nan 8.290 nan 0.000 0.529 89 T N -2.360 112.200 114.554 0.010 0.000 2.737 89 T HA -0.157 4.193 4.350 0.000 0.000 0.269 89 T C 2.202 176.908 174.700 0.010 0.000 1.040 89 T CA 2.664 64.767 62.100 0.006 0.000 1.142 89 T CB -0.686 68.173 68.868 -0.015 0.000 0.861 89 T HN 0.393 nan 8.240 nan 0.000 0.456 90 T N 1.680 116.239 114.554 0.009 0.000 2.777 90 T HA -0.059 4.291 4.350 0.000 0.000 0.266 90 T C 2.229 176.939 174.700 0.016 0.000 1.040 90 T CA 1.672 63.778 62.100 0.010 0.000 1.141 90 T CB -0.844 68.028 68.868 0.008 0.000 0.868 90 T HN 0.540 nan 8.240 nan 0.000 0.444 91 T N 2.347 116.913 114.554 0.020 0.000 2.595 91 T HA -0.094 4.256 4.350 0.000 0.000 0.264 91 T C 2.401 177.119 174.700 0.030 0.000 1.058 91 T CA 1.363 63.477 62.100 0.024 0.000 1.166 91 T CB -0.877 68.007 68.868 0.026 0.000 0.863 91 T HN 0.420 nan 8.240 nan 0.000 0.415 92 A N 1.489 124.333 122.820 0.040 0.000 1.893 92 A HA -0.307 4.013 4.320 0.000 0.000 0.222 92 A C 2.533 180.141 177.584 0.041 0.000 1.309 92 A CA 2.978 55.048 52.037 0.054 0.000 0.681 92 A CB -1.719 17.328 19.000 0.078 0.000 0.842 92 A HN 0.518 nan 8.150 nan 0.000 0.468 93 T N -0.587 113.985 114.554 0.029 0.000 2.653 93 T HA -0.174 4.176 4.350 0.000 0.000 0.268 93 T C 1.856 176.569 174.700 0.021 0.000 1.035 93 T CA 1.797 63.910 62.100 0.022 0.000 1.154 93 T CB -0.594 68.282 68.868 0.014 0.000 0.862 93 T HN 0.207 nan 8.240 nan 0.000 0.441 94 V N 1.226 121.151 119.914 0.019 0.000 2.332 94 V HA -0.133 3.987 4.120 0.000 0.000 0.248 94 V C 2.482 178.587 176.094 0.019 0.000 1.055 94 V CA 1.508 63.818 62.300 0.017 0.000 1.038 94 V CB -0.624 31.208 31.823 0.016 0.000 0.651 94 V HN 0.447 nan 8.190 nan 0.000 0.450 95 L N -0.240 120.997 121.223 0.023 0.000 2.131 95 L HA -0.161 4.179 4.340 0.000 0.000 0.210 95 L C 2.612 179.496 176.870 0.023 0.000 1.092 95 L CA 1.488 56.342 54.840 0.023 0.000 0.759 95 L CB -0.611 41.464 42.059 0.025 0.000 0.903 95 L HN 0.383 nan 8.230 nan 0.000 0.435 96 A N 0.036 122.872 122.820 0.027 0.000 1.898 96 A HA -0.228 4.092 4.320 0.000 0.000 0.214 96 A C 2.185 179.782 177.584 0.022 0.000 1.183 96 A CA 1.289 53.342 52.037 0.028 0.000 0.622 96 A CB -0.472 18.548 19.000 0.034 0.000 0.824 96 A HN 0.509 nan 8.150 nan 0.000 0.444 97 Q N 0.080 119.892 119.800 0.019 0.000 2.234 97 Q HA -0.015 4.325 4.340 0.000 0.000 0.206 97 Q C 1.724 177.733 176.000 0.014 0.000 0.980 97 Q CA 2.173 57.986 55.803 0.016 0.000 0.869 97 Q CB -0.418 28.328 28.738 0.014 0.000 0.912 97 Q HN 0.488 nan 8.270 nan 0.000 0.436 98 A N 0.848 123.677 122.820 0.015 0.000 1.861 98 A HA 0.053 4.373 4.320 0.000 0.000 0.212 98 A C 2.118 179.710 177.584 0.013 0.000 1.199 98 A CA 0.956 53.001 52.037 0.013 0.000 0.613 98 A CB -0.542 18.466 19.000 0.013 0.000 0.846 98 A HN 0.424 nan 8.150 nan 0.000 0.446 99 I N 0.068 120.647 120.570 0.015 0.000 2.151 99 I HA -0.325 3.845 4.170 0.000 0.000 0.243 99 I C 2.349 178.474 176.117 0.014 0.000 1.080 99 I CA 1.718 63.027 61.300 0.015 0.000 1.339 99 I CB -0.566 37.444 38.000 0.017 0.000 1.039 99 I HN 0.301 nan 8.210 nan 0.000 0.409 100 I N 0.334 120.914 120.570 0.016 0.000 2.179 100 I HA -0.278 3.892 4.170 0.000 0.000 0.242 100 I C 2.626 178.751 176.117 0.013 0.000 1.088 100 I CA 1.615 62.925 61.300 0.016 0.000 1.357 100 I CB -0.670 37.340 38.000 0.018 0.000 1.051 100 I HN 0.241 nan 8.210 nan 0.000 0.409 101 T N 0.139 114.700 114.554 0.012 0.000 2.607 101 T HA -0.212 4.138 4.350 0.000 0.000 0.267 101 T C 1.896 176.601 174.700 0.009 0.000 1.049 101 T CA 1.539 63.645 62.100 0.010 0.000 1.162 101 T CB -0.214 68.659 68.868 0.009 0.000 0.863 101 T HN 0.243 nan 8.240 nan 0.000 0.424 102 E N 0.543 120.749 120.200 0.009 0.000 2.077 102 E HA -0.019 4.331 4.350 0.000 0.000 0.193 102 E C 2.500 179.105 176.600 0.008 0.000 0.989 102 E CA 1.218 57.623 56.400 0.008 0.000 0.800 102 E CB -1.059 28.646 29.700 0.008 0.000 0.746 102 E HN 0.537 nan 8.360 nan 0.000 0.452 103 G N 1.330 110.136 108.800 0.010 0.000 2.491 103 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 103 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 103 G C 1.715 176.621 174.900 0.010 0.000 1.180 103 G CA 0.886 45.992 45.100 0.010 0.000 0.774 103 G HN 0.245 nan 8.290 nan 0.000 0.562 104 L N 0.219 121.448 121.223 0.011 0.000 2.129 104 L HA -0.116 4.225 4.340 0.000 0.000 0.212 104 L C 2.824 179.699 176.870 0.008 0.000 1.087 104 L CA 1.662 56.508 54.840 0.010 0.000 0.757 104 L CB -0.319 41.746 42.059 0.010 0.000 0.896 104 L HN 0.298 nan 8.230 nan 0.000 0.434 105 K N 0.176 120.580 120.400 0.007 0.000 2.217 105 K HA -0.096 4.224 4.320 0.000 0.000 0.202 105 K C 1.987 178.590 176.600 0.005 0.000 1.051 105 K CA 1.010 57.300 56.287 0.005 0.000 0.952 105 K CB 0.074 32.577 32.500 0.005 0.000 0.736 105 K HN 0.261 nan 8.250 nan 0.000 0.453 106 A N 0.214 123.037 122.820 0.006 0.000 2.072 106 A HA 0.021 4.341 4.320 0.000 0.000 0.216 106 A C 1.969 179.557 177.584 0.006 0.000 1.156 106 A CA 0.580 52.620 52.037 0.006 0.000 0.701 106 A CB -0.043 18.961 19.000 0.006 0.000 0.816 106 A HN 0.130 nan 8.150 nan 0.000 0.458 107 V N -0.116 119.803 119.914 0.008 0.000 2.453 107 V HA -0.183 3.937 4.120 0.000 0.000 0.247 107 V C 2.919 179.017 176.094 0.007 0.000 1.048 107 V CA 1.677 63.982 62.300 0.009 0.000 1.049 107 V CB -0.996 30.834 31.823 0.012 0.000 0.672 107 V HN 0.557 nan 8.190 nan 0.000 0.457 108 A N 0.009 122.832 122.820 0.005 0.000 2.121 108 A HA 0.063 4.383 4.320 0.000 0.000 0.218 108 A C 2.244 179.830 177.584 0.002 0.000 1.154 108 A CA 1.495 53.534 52.037 0.003 0.000 0.679 108 A CB -0.439 18.562 19.000 0.003 0.000 0.795 108 A HN 0.552 nan 8.150 nan 0.000 0.458 109 A N -1.763 121.059 122.820 0.003 0.000 2.206 109 A HA 0.404 4.724 4.320 0.000 0.000 0.211 109 A C 1.710 179.295 177.584 0.001 0.000 1.158 109 A CA 1.242 53.280 52.037 0.002 0.000 0.761 109 A CB -0.673 18.329 19.000 0.002 0.000 0.801 109 A HN 1.795 nan 8.150 nan 0.000 0.473 110 G N -1.802 106.999 108.800 0.002 0.000 2.138 110 G HA2 -0.195 3.765 3.960 0.000 0.000 0.193 110 G HA3 -0.195 3.765 3.960 0.000 0.000 0.193 110 G C 0.087 174.989 174.900 0.003 0.000 0.998 110 G CA 0.116 45.217 45.100 0.002 0.000 0.668 110 G HN 0.343 nan 8.290 nan 0.000 0.516 111 M N 0.611 120.214 119.600 0.004 0.000 2.242 111 M HA 0.279 4.760 4.480 0.000 0.000 0.344 111 M C 0.734 177.038 176.300 0.007 0.000 1.140 111 M CA -0.532 54.771 55.300 0.005 0.000 1.160 111 M CB 0.531 33.134 32.600 0.005 0.000 1.491 111 M HN 0.219 nan 8.290 nan 0.000 0.459 112 N N 3.151 121.855 118.700 0.007 0.000 2.405 112 N HA 0.170 4.910 4.740 0.000 0.000 0.260 112 N C -2.241 173.275 175.510 0.010 0.000 1.152 112 N CA -1.787 51.268 53.050 0.008 0.000 0.948 112 N CB 0.865 39.356 38.487 0.007 0.000 1.111 112 N HN 0.200 nan 8.380 nan 0.000 0.485 113 P HA -0.141 nan 4.420 nan 0.000 0.216 113 P C 1.584 178.892 177.300 0.014 0.000 1.150 113 P CA 1.099 64.207 63.100 0.014 0.000 0.837 113 P CB 0.141 31.851 31.700 0.017 0.000 0.786 114 M N -0.446 119.162 119.600 0.014 0.000 2.149 114 M HA -0.155 4.325 4.480 0.000 0.000 0.261 114 M C 1.268 177.575 176.300 0.011 0.000 1.064 114 M CA 1.711 57.019 55.300 0.013 0.000 1.102 114 M CB -1.545 31.063 32.600 0.013 0.000 1.369 114 M HN -0.027 nan 8.290 nan 0.000 0.408 115 D N -0.205 120.200 120.400 0.009 0.000 2.183 115 D HA -0.022 4.619 4.640 0.000 0.000 0.203 115 D C 2.230 178.535 176.300 0.008 0.000 0.969 115 D CA 0.649 54.654 54.000 0.008 0.000 0.842 115 D CB -0.027 40.777 40.800 0.006 0.000 0.957 115 D HN 0.329 nan 8.370 nan 0.000 0.484 116 L N 0.755 121.983 121.223 0.009 0.000 2.046 116 L HA -0.188 4.152 4.340 0.000 0.000 0.208 116 L C 2.506 179.381 176.870 0.009 0.000 1.077 116 L CA 1.147 55.992 54.840 0.009 0.000 0.747 116 L CB -0.279 41.786 42.059 0.010 0.000 0.896 116 L HN 0.009 nan 8.230 nan 0.000 0.432 117 K N 0.268 120.674 120.400 0.011 0.000 2.009 117 K HA -0.199 4.121 4.320 0.000 0.000 0.210 117 K C 2.280 178.885 176.600 0.009 0.000 1.049 117 K CA 1.348 57.642 56.287 0.011 0.000 0.929 117 K CB -0.030 32.478 32.500 0.013 0.000 0.714 117 K HN 0.150 nan 8.250 nan 0.000 0.440 118 R N -0.225 120.280 120.500 0.008 0.000 2.096 118 R HA -0.140 4.200 4.340 0.000 0.000 0.240 118 R C 2.487 178.790 176.300 0.004 0.000 1.139 118 R CA 1.593 57.696 56.100 0.006 0.000 0.952 118 R CB -0.805 29.499 30.300 0.006 0.000 0.854 118 R HN 0.461 nan 8.270 nan 0.000 0.436 119 G N 1.545 110.348 108.800 0.005 0.000 2.453 119 G HA2 -0.243 3.718 3.960 0.000 0.000 0.215 119 G HA3 -0.243 3.718 3.960 0.000 0.000 0.215 119 G C 1.527 176.429 174.900 0.003 0.000 1.201 119 G CA 0.734 45.836 45.100 0.004 0.000 0.784 119 G HN 0.165 nan 8.290 nan 0.000 0.545 120 I N 1.334 121.907 120.570 0.005 0.000 2.113 120 I HA -0.265 3.905 4.170 0.000 0.000 0.242 120 I C 2.384 178.502 176.117 0.002 0.000 1.057 120 I CA 1.795 63.098 61.300 0.005 0.000 1.314 120 I CB -0.164 37.840 38.000 0.007 0.000 1.022 120 I HN 0.122 nan 8.210 nan 0.000 0.408 121 D N 0.290 120.691 120.400 0.002 0.000 2.117 121 D HA -0.181 4.459 4.640 0.000 0.000 0.198 121 D C 2.037 178.335 176.300 -0.004 0.000 0.982 121 D CA 1.050 55.049 54.000 -0.002 0.000 0.828 121 D CB -0.276 40.523 40.800 -0.001 0.000 0.967 121 D HN 0.335 nan 8.370 nan 0.000 0.464 122 K N 1.102 121.501 120.400 -0.002 0.000 1.991 122 K HA -0.186 4.134 4.320 0.000 0.000 0.212 122 K C 2.122 178.720 176.600 -0.003 0.000 1.049 122 K CA 1.569 57.855 56.287 -0.002 0.000 0.932 122 K CB -0.173 32.326 32.500 -0.001 0.000 0.717 122 K HN -0.004 nan 8.250 nan 0.000 0.441 123 A N 0.704 123.523 122.820 -0.002 0.000 1.894 123 A HA -0.252 4.068 4.320 0.000 0.000 0.220 123 A C 2.313 179.894 177.584 -0.005 0.000 1.237 123 A CA 2.509 54.545 52.037 -0.002 0.000 0.660 123 A CB -1.188 17.812 19.000 0.000 0.000 0.835 123 A HN 0.244 nan 8.150 nan 0.000 0.461 124 V N -0.513 119.397 119.914 -0.008 0.000 2.295 124 V HA -0.231 3.889 4.120 0.000 0.000 0.246 124 V C 2.729 178.811 176.094 -0.019 0.000 1.049 124 V CA 2.490 64.781 62.300 -0.015 0.000 1.024 124 V CB -1.301 30.511 31.823 -0.019 0.000 0.648 124 V HN 0.674 nan 8.190 nan 0.000 0.447 125 T N 0.377 114.921 114.554 -0.017 0.000 2.803 125 T HA -0.175 4.175 4.350 0.000 0.000 0.269 125 T C 1.963 176.654 174.700 -0.014 0.000 1.052 125 T CA 1.533 63.622 62.100 -0.018 0.000 1.136 125 T CB -0.363 68.497 68.868 -0.013 0.000 0.864 125 T HN 0.578 nan 8.240 nan 0.000 0.467 126 A N 1.329 124.143 122.820 -0.010 0.000 1.872 126 A HA 0.350 4.670 4.320 0.000 0.000 0.214 126 A C 2.671 180.251 177.584 -0.007 0.000 1.187 126 A CA 1.431 53.464 52.037 -0.007 0.000 0.614 126 A CB -1.065 17.933 19.000 -0.004 0.000 0.826 126 A HN 0.486 nan 8.150 nan 0.000 0.442 127 A N -0.417 122.398 122.820 -0.008 0.000 1.933 127 A HA -0.005 4.315 4.320 0.000 0.000 0.218 127 A C 2.206 179.783 177.584 -0.011 0.000 1.175 127 A CA 1.761 53.793 52.037 -0.007 0.000 0.628 127 A CB -0.941 18.055 19.000 -0.007 0.000 0.814 127 A HN 0.366 nan 8.150 nan 0.000 0.444 128 V N 0.093 119.996 119.914 -0.018 0.000 2.332 128 V HA -0.242 3.879 4.120 0.000 0.000 0.248 128 V C 2.651 178.736 176.094 -0.015 0.000 1.055 128 V CA 2.308 64.594 62.300 -0.023 0.000 1.038 128 V CB -0.736 31.066 31.823 -0.035 0.000 0.651 128 V HN 0.484 nan 8.190 nan 0.000 0.450 129 E N -0.135 120.058 120.200 -0.012 0.000 2.058 129 E HA -0.186 4.165 4.350 0.000 0.000 0.194 129 E C 2.316 178.913 176.600 -0.004 0.000 0.997 129 E CA 1.096 57.491 56.400 -0.007 0.000 0.801 129 E CB -0.401 29.295 29.700 -0.006 0.000 0.746 129 E HN 0.527 nan 8.360 nan 0.000 0.450 130 E N 0.487 120.685 120.200 -0.003 0.000 2.033 130 E HA -0.179 4.171 4.350 0.000 0.000 0.199 130 E C 2.427 179.029 176.600 0.002 0.000 1.011 130 E CA 0.697 57.097 56.400 0.001 0.000 0.815 130 E CB -0.546 29.155 29.700 0.002 0.000 0.755 130 E HN 0.263 nan 8.360 nan 0.000 0.451 131 L N 0.806 122.030 121.223 0.000 0.000 1.991 131 L HA -0.281 4.059 4.340 0.000 0.000 0.221 131 L C 2.501 179.372 176.870 0.002 0.000 1.079 131 L CA 1.805 56.646 54.840 0.001 0.000 0.778 131 L CB -0.520 41.538 42.059 -0.003 0.000 0.893 131 L HN 0.107 nan 8.230 nan 0.000 0.437 132 K N -0.398 120.001 120.400 -0.001 0.000 2.281 132 K HA -0.144 4.176 4.320 0.000 0.000 0.203 132 K C 2.068 178.669 176.600 0.002 0.000 1.046 132 K CA 1.160 57.447 56.287 -0.000 0.000 0.938 132 K CB -0.207 32.291 32.500 -0.003 0.000 0.737 132 K HN 0.374 nan 8.250 nan 0.000 0.458 133 A N 0.641 123.462 122.820 0.003 0.000 1.970 133 A HA -0.040 4.280 4.320 0.000 0.000 0.216 133 A C 1.934 179.523 177.584 0.007 0.000 1.170 133 A CA 0.825 52.864 52.037 0.005 0.000 0.645 133 A CB -0.131 18.871 19.000 0.004 0.000 0.816 133 A HN 0.098 nan 8.150 nan 0.000 0.447 134 L N -0.300 120.929 121.223 0.009 0.000 2.240 134 L HA 0.106 4.446 4.340 0.000 0.000 0.211 134 L C 1.480 178.357 176.870 0.012 0.000 1.106 134 L CA 0.788 55.635 54.840 0.012 0.000 0.793 134 L CB -0.405 41.663 42.059 0.015 0.000 0.927 134 L HN 0.241 nan 8.230 nan 0.000 0.446 135 S N -0.299 115.407 115.700 0.010 0.000 2.575 135 S HA 0.207 4.678 4.470 0.000 0.000 0.295 135 S C -0.231 174.375 174.600 0.010 0.000 1.267 135 S CA -0.265 57.941 58.200 0.010 0.000 1.074 135 S CB -0.029 63.176 63.200 0.008 0.000 0.829 135 S HN 0.127 nan 8.310 nan 0.000 0.497 136 V N 4.139 124.060 119.914 0.011 0.000 2.628 136 V HA 0.738 4.858 4.120 0.000 0.000 0.306 136 V C -2.731 173.368 176.094 0.009 0.000 1.045 136 V CA -2.816 59.490 62.300 0.010 0.000 0.905 136 V CB 1.127 32.957 31.823 0.011 0.000 0.997 136 V HN 0.603 nan 8.190 nan 0.000 0.436 137 P HA 0.199 nan 4.420 nan 0.000 0.268 137 P C -0.529 176.776 177.300 0.008 0.000 1.205 137 P CA -0.038 63.066 63.100 0.008 0.000 0.771 137 P CB 0.411 32.115 31.700 0.006 0.000 0.858 138 C N 3.165 122.470 119.300 0.008 0.000 2.264 138 C HA 0.586 5.046 4.460 0.000 0.000 0.322 138 C C 1.154 176.148 174.990 0.006 0.000 1.210 138 C CA 0.490 59.513 59.018 0.008 0.000 1.539 138 C CB -0.996 26.750 27.740 0.010 0.000 2.167 138 C HN 0.680 nan 8.230 nan 0.000 0.463 139 S N 2.107 117.810 115.700 0.005 0.000 2.744 139 S HA 0.187 4.657 4.470 0.000 0.000 0.265 139 S C -0.199 174.403 174.600 0.003 0.000 1.065 139 S CA 0.113 58.316 58.200 0.004 0.000 1.191 139 S CB -0.342 62.861 63.200 0.004 0.000 1.150 139 S HN 0.865 nan 8.310 nan 0.000 0.646 140 D N 1.376 121.778 120.400 0.003 0.000 2.354 140 D HA 0.485 5.125 4.640 0.000 0.000 0.247 140 D C 0.972 177.273 176.300 0.002 0.000 1.138 140 D CA -0.412 53.589 54.000 0.002 0.000 0.958 140 D CB 0.761 41.563 40.800 0.003 0.000 1.144 140 D HN -0.059 nan 8.370 nan 0.000 0.458 141 S N -0.442 115.259 115.700 0.001 0.000 2.399 141 S HA -0.176 4.294 4.470 0.000 0.000 0.231 141 S C 1.557 176.158 174.600 0.001 0.000 1.022 141 S CA 1.193 59.393 58.200 0.001 0.000 0.983 141 S CB -0.354 62.846 63.200 -0.000 0.000 0.803 141 S HN 0.637 nan 8.310 nan 0.000 0.480 142 K N 1.286 121.686 120.400 0.001 0.000 2.026 142 K HA -0.063 4.257 4.320 0.000 0.000 0.208 142 K C 2.175 178.776 176.600 0.002 0.000 1.048 142 K CA 1.306 57.594 56.287 0.001 0.000 0.929 142 K CB -0.418 32.083 32.500 0.001 0.000 0.713 142 K HN 0.265 nan 8.250 nan 0.000 0.439 143 A N 1.803 124.625 122.820 0.003 0.000 1.858 143 A HA -0.146 4.174 4.320 0.000 0.000 0.216 143 A C 2.149 179.736 177.584 0.005 0.000 1.190 143 A CA 1.708 53.747 52.037 0.004 0.000 0.617 143 A CB -0.770 18.234 19.000 0.006 0.000 0.827 143 A HN 0.395 nan 8.150 nan 0.000 0.443 144 I N -0.125 120.448 120.570 0.005 0.000 2.147 144 I HA -0.420 3.750 4.170 0.000 0.000 0.245 144 I C 2.953 179.072 176.117 0.005 0.000 1.059 144 I CA 1.616 62.919 61.300 0.005 0.000 1.320 144 I CB -0.602 37.400 38.000 0.003 0.000 1.021 144 I HN 0.421 nan 8.210 nan 0.000 0.415 145 A N -0.040 122.781 122.820 0.003 0.000 1.933 145 A HA -0.265 4.055 4.320 0.000 0.000 0.218 145 A C 2.200 179.785 177.584 0.002 0.000 1.175 145 A CA 1.721 53.760 52.037 0.002 0.000 0.628 145 A CB -0.590 18.410 19.000 0.000 0.000 0.814 145 A HN 0.529 nan 8.150 nan 0.000 0.444 146 Q N -0.668 119.133 119.800 0.002 0.000 2.167 146 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 146 Q C 2.212 178.215 176.000 0.004 0.000 0.970 146 Q CA 1.566 57.370 55.803 0.001 0.000 0.855 146 Q CB -0.401 28.338 28.738 0.001 0.000 0.911 146 Q HN 0.718 nan 8.270 nan 0.000 0.438 147 V N -1.122 118.797 119.914 0.008 0.000 2.379 147 V HA -0.048 4.073 4.120 0.000 0.000 0.245 147 V C 1.899 178.001 176.094 0.015 0.000 1.044 147 V CA 2.127 64.434 62.300 0.012 0.000 1.036 147 V CB -1.194 30.639 31.823 0.016 0.000 0.664 147 V HN 0.333 nan 8.190 nan 0.000 0.453 148 G N 0.241 109.049 108.800 0.013 0.000 2.586 148 G HA2 -0.336 3.624 3.960 0.000 0.000 0.218 148 G HA3 -0.336 3.624 3.960 0.000 0.000 0.218 148 G C 1.621 176.528 174.900 0.011 0.000 1.216 148 G CA 2.023 47.131 45.100 0.014 0.000 0.786 148 G HN 0.507 nan 8.290 nan 0.000 0.583 149 T N 0.759 115.317 114.554 0.006 0.000 2.699 149 T HA -0.145 4.205 4.350 0.000 0.000 0.268 149 T C 2.345 177.046 174.700 0.002 0.000 1.036 149 T CA 1.352 63.454 62.100 0.003 0.000 1.147 149 T CB -0.162 68.706 68.868 -0.002 0.000 0.862 149 T HN 0.172 nan 8.240 nan 0.000 0.446 150 I N 0.402 120.973 120.570 0.003 0.000 2.353 150 I HA -0.061 4.109 4.170 0.000 0.000 0.248 150 I C 2.592 178.712 176.117 0.006 0.000 1.119 150 I CA 0.778 62.079 61.300 0.001 0.000 1.417 150 I CB -0.245 37.756 38.000 0.001 0.000 1.078 150 I HN 0.126 nan 8.210 nan 0.000 0.421 151 S N 0.456 116.164 115.700 0.013 0.000 2.382 151 S HA -0.069 4.401 4.470 0.000 0.000 0.228 151 S C 1.773 176.383 174.600 0.017 0.000 1.027 151 S CA 1.081 59.292 58.200 0.019 0.000 0.991 151 S CB -0.340 62.878 63.200 0.030 0.000 0.823 151 S HN 0.450 nan 8.310 nan 0.000 0.469 152 A N 1.188 124.017 122.820 0.014 0.000 2.840 152 A HA 0.364 4.684 4.320 0.000 0.000 0.269 152 A C 0.651 178.239 177.584 0.006 0.000 1.439 152 A CA 0.088 52.133 52.037 0.012 0.000 1.083 152 A CB -1.457 17.550 19.000 0.012 0.000 1.019 152 A HN 0.780 nan 8.150 nan 0.000 0.607 153 N N 0.096 118.799 118.700 0.005 0.000 2.696 153 N HA -0.261 4.479 4.740 0.000 0.000 0.249 153 N C -0.121 175.386 175.510 -0.005 0.000 1.090 153 N CA 0.581 53.631 53.050 -0.000 0.000 0.716 153 N CB -0.594 37.893 38.487 0.000 0.000 1.020 153 N HN 0.501 nan 8.380 nan 0.000 0.548 154 S N -1.033 114.663 115.700 -0.005 0.000 3.717 154 S HA -0.139 4.331 4.470 0.000 0.000 0.289 154 S C -0.835 173.760 174.600 -0.008 0.000 1.198 154 S CA 0.448 58.642 58.200 -0.010 0.000 0.801 154 S CB -0.870 62.320 63.200 -0.016 0.000 0.942 154 S HN 0.584 nan 8.310 nan 0.000 0.602 155 D N 1.588 121.986 120.400 -0.003 0.000 2.456 155 D HA 0.285 4.925 4.640 0.000 0.000 0.219 155 D C 1.147 177.446 176.300 -0.002 0.000 1.126 155 D CA -0.324 53.675 54.000 -0.002 0.000 0.890 155 D CB 0.523 41.324 40.800 0.001 0.000 1.025 155 D HN 0.425 nan 8.370 nan 0.000 0.511 156 E N 0.830 121.027 120.200 -0.004 0.000 2.267 156 E HA -0.123 4.227 4.350 0.000 0.000 0.197 156 E C 1.153 177.752 176.600 -0.002 0.000 0.998 156 E CA 1.044 57.441 56.400 -0.004 0.000 0.830 156 E CB 0.371 30.067 29.700 -0.006 0.000 0.751 156 E HN 0.471 nan 8.360 nan 0.000 0.491 157 T N 0.180 114.733 114.554 -0.001 0.000 2.896 157 T HA -0.056 4.294 4.350 0.000 0.000 0.263 157 T C 2.179 176.880 174.700 0.001 0.000 1.050 157 T CA 0.641 62.741 62.100 -0.001 0.000 1.140 157 T CB -0.088 68.780 68.868 -0.001 0.000 0.877 157 T HN -0.018 nan 8.240 nan 0.000 0.457 158 V N 1.950 121.865 119.914 0.002 0.000 2.270 158 V HA -0.046 4.074 4.120 0.000 0.000 0.245 158 V C 2.962 179.058 176.094 0.004 0.000 1.043 158 V CA 1.895 64.198 62.300 0.005 0.000 1.014 158 V CB -1.634 30.193 31.823 0.008 0.000 0.645 158 V HN 0.555 nan 8.190 nan 0.000 0.447 159 G N 0.007 108.809 108.800 0.004 0.000 2.599 159 G HA2 -0.410 3.551 3.960 0.000 0.000 0.219 159 G HA3 -0.410 3.551 3.960 0.000 0.000 0.219 159 G C 1.658 176.559 174.900 0.001 0.000 1.193 159 G CA 1.529 46.631 45.100 0.003 0.000 0.778 159 G HN 0.469 nan 8.290 nan 0.000 0.589 160 K N -0.444 119.956 120.400 0.000 0.000 2.063 160 K HA -0.038 4.282 4.320 0.000 0.000 0.208 160 K C 2.535 179.135 176.600 -0.001 0.000 1.048 160 K CA 1.133 57.419 56.287 -0.001 0.000 0.928 160 K CB -0.233 32.266 32.500 -0.001 0.000 0.713 160 K HN 0.285 nan 8.250 nan 0.000 0.442 161 L N 1.309 122.532 121.223 -0.000 0.000 2.072 161 L HA -0.060 4.280 4.340 0.000 0.000 0.205 161 L C 2.114 178.983 176.870 -0.002 0.000 1.079 161 L CA 1.236 56.075 54.840 -0.001 0.000 0.752 161 L CB -0.271 41.788 42.059 -0.000 0.000 0.906 161 L HN 0.174 nan 8.230 nan 0.000 0.436 162 I N -0.938 119.631 120.570 -0.002 0.000 2.127 162 I HA -0.349 3.822 4.170 0.000 0.000 0.241 162 I C 2.557 178.672 176.117 -0.004 0.000 1.075 162 I CA 1.334 62.632 61.300 -0.004 0.000 1.334 162 I CB -0.531 37.469 38.000 -0.001 0.000 1.040 162 I HN 0.285 nan 8.210 nan 0.000 0.405 163 A N 0.015 122.833 122.820 -0.002 0.000 1.908 163 A HA -0.268 4.052 4.320 0.000 0.000 0.218 163 A C 2.269 179.851 177.584 -0.003 0.000 1.181 163 A CA 1.858 53.894 52.037 -0.002 0.000 0.627 163 A CB -0.671 18.329 19.000 -0.001 0.000 0.818 163 A HN 0.448 nan 8.150 nan 0.000 0.445 164 E N -0.574 119.625 120.200 -0.003 0.000 2.058 164 E HA -0.168 4.182 4.350 0.000 0.000 0.194 164 E C 2.379 178.976 176.600 -0.005 0.000 0.997 164 E CA 1.055 57.453 56.400 -0.003 0.000 0.801 164 E CB -0.239 29.459 29.700 -0.003 0.000 0.746 164 E HN 0.613 nan 8.360 nan 0.000 0.450 165 A N 1.271 124.088 122.820 -0.006 0.000 1.855 165 A HA -0.179 4.141 4.320 0.000 0.000 0.215 165 A C 2.186 179.765 177.584 -0.008 0.000 1.191 165 A CA 1.357 53.390 52.037 -0.007 0.000 0.613 165 A CB -0.538 18.456 19.000 -0.009 0.000 0.829 165 A HN 0.165 nan 8.150 nan 0.000 0.442 166 M N -0.590 119.004 119.600 -0.009 0.000 2.146 166 M HA -0.265 4.216 4.480 0.000 0.000 0.256 166 M C 1.771 178.067 176.300 -0.007 0.000 1.075 166 M CA 2.283 57.577 55.300 -0.009 0.000 1.082 166 M CB -0.860 31.735 32.600 -0.008 0.000 1.355 166 M HN 0.547 nan 8.290 nan 0.000 0.402 167 D N 0.044 120.440 120.400 -0.006 0.000 2.123 167 D HA -0.082 4.558 4.640 0.000 0.000 0.200 167 D C 1.845 178.142 176.300 -0.005 0.000 0.976 167 D CA 1.303 55.301 54.000 -0.004 0.000 0.831 167 D CB 0.245 41.043 40.800 -0.003 0.000 0.974 167 D HN 0.232 nan 8.370 nan 0.000 0.469 168 K N -0.423 119.974 120.400 -0.005 0.000 2.067 168 K HA 0.016 4.336 4.320 0.000 0.000 0.203 168 K C 2.038 178.635 176.600 -0.005 0.000 1.048 168 K CA 1.018 57.303 56.287 -0.005 0.000 0.954 168 K CB 0.039 32.536 32.500 -0.004 0.000 0.737 168 K HN 0.114 nan 8.250 nan 0.000 0.444 169 V N -1.540 118.370 119.914 -0.006 0.000 3.141 169 V HA 0.156 4.276 4.120 0.000 0.000 0.265 169 V C 0.977 177.067 176.094 -0.007 0.000 1.126 169 V CA 0.691 62.987 62.300 -0.007 0.000 1.141 169 V CB -1.447 30.371 31.823 -0.009 0.000 0.743 169 V HN 0.437 nan 8.190 nan 0.000 0.492 170 G N 1.002 109.798 108.800 -0.007 0.000 2.542 170 G HA2 -0.268 3.692 3.960 0.000 0.000 0.235 170 G HA3 -0.268 3.692 3.960 0.000 0.000 0.235 170 G C 0.313 175.209 174.900 -0.008 0.000 1.286 170 G CA 0.327 45.423 45.100 -0.007 0.000 0.904 170 G HN 0.408 nan 8.290 nan 0.000 0.577 171 K N 0.701 121.096 120.400 -0.007 0.000 2.262 171 K HA 0.130 4.450 4.320 0.000 0.000 0.200 171 K C 1.360 177.953 176.600 -0.010 0.000 1.049 171 K CA 1.320 57.603 56.287 -0.008 0.000 0.979 171 K CB 0.199 32.695 32.500 -0.006 0.000 0.773 171 K HN 0.570 nan 8.250 nan 0.000 0.474 172 E N 0.989 121.182 120.200 -0.011 0.000 2.569 172 E HA 0.120 4.470 4.350 0.000 0.000 0.205 172 E C 0.149 176.740 176.600 -0.014 0.000 1.006 172 E CA -0.301 56.091 56.400 -0.013 0.000 0.985 172 E CB 1.170 30.863 29.700 -0.012 0.000 1.060 172 E HN 0.140 nan 8.360 nan 0.000 0.460 173 G N 0.966 109.757 108.800 -0.014 0.000 2.389 173 G HA2 0.431 4.391 3.960 0.000 0.000 0.328 173 G HA3 0.431 4.391 3.960 0.000 0.000 0.328 173 G C 0.095 174.983 174.900 -0.019 0.000 1.133 173 G CA -0.472 44.620 45.100 -0.014 0.000 0.891 173 G HN -0.008 nan 8.290 nan 0.000 0.485 174 V N 0.948 120.850 119.914 -0.019 0.000 2.686 174 V HA 0.521 4.641 4.120 0.000 0.000 0.295 174 V C 0.101 176.181 176.094 -0.024 0.000 1.057 174 V CA -0.550 61.735 62.300 -0.025 0.000 1.012 174 V CB 1.152 32.962 31.823 -0.023 0.000 1.006 174 V HN 0.551 nan 8.190 nan 0.000 0.477 175 I N 3.098 123.648 120.570 -0.034 0.000 2.466 175 I HA 0.584 4.754 4.170 0.000 0.000 0.289 175 I C -0.022 176.073 176.117 -0.037 0.000 1.026 175 I CA -0.165 61.116 61.300 -0.032 0.000 1.078 175 I CB 2.334 40.313 38.000 -0.036 0.000 1.249 175 I HN 0.833 nan 8.210 nan 0.000 0.429 176 T N 2.754 117.295 114.554 -0.022 0.000 2.907 176 T HA 0.697 5.047 4.350 0.000 0.000 0.292 176 T C -0.575 174.121 174.700 -0.007 0.000 1.043 176 T CA -0.896 61.194 62.100 -0.016 0.000 1.003 176 T CB 2.190 71.055 68.868 -0.005 0.000 1.084 176 T HN 0.403 nan 8.240 nan 0.000 0.483 177 V N 0.751 120.665 119.914 0.000 0.000 2.513 177 V HA 0.888 5.008 4.120 0.000 0.000 0.299 177 V C -0.935 175.167 176.094 0.013 0.000 1.035 177 V CA -0.661 61.643 62.300 0.008 0.000 0.889 177 V CB 1.144 32.974 31.823 0.012 0.000 0.988 177 V HN 1.201 nan 8.190 nan 0.000 0.440 178 E N 2.718 122.925 120.200 0.011 0.000 2.433 178 E HA 0.492 4.842 4.350 0.000 0.000 0.278 178 E C -1.692 174.915 176.600 0.011 0.000 0.976 178 E CA -1.083 55.325 56.400 0.013 0.000 0.793 178 E CB 1.343 31.049 29.700 0.010 0.000 1.311 178 E HN 0.556 nan 8.360 nan 0.000 0.460 179 D N 0.809 121.216 120.400 0.012 0.000 2.472 179 D HA 0.245 4.885 4.640 0.000 0.000 0.237 179 D C 0.195 176.500 176.300 0.007 0.000 1.141 179 D CA 0.599 54.605 54.000 0.010 0.000 0.875 179 D CB 0.934 41.741 40.800 0.011 0.000 1.192 179 D HN 0.563 nan 8.370 nan 0.000 0.450 180 G N -0.275 108.529 108.800 0.006 0.000 2.488 180 G HA2 0.389 4.349 3.960 0.000 0.000 0.318 180 G HA3 0.389 4.349 3.960 0.000 0.000 0.318 180 G C 0.987 175.889 174.900 0.003 0.000 1.188 180 G CA -0.273 44.829 45.100 0.004 0.000 0.944 180 G HN 0.423 nan 8.290 nan 0.000 0.495 181 T N -1.432 113.124 114.554 0.002 0.000 2.901 181 T HA 0.233 4.583 4.350 0.000 0.000 0.252 181 T C 1.592 176.293 174.700 0.002 0.000 1.035 181 T CA 0.946 63.047 62.100 0.001 0.000 1.142 181 T CB -0.338 68.531 68.868 0.000 0.000 0.869 181 T HN 0.703 nan 8.240 nan 0.000 0.442 182 G N 0.636 109.436 108.800 0.001 0.000 2.714 182 G HA2 0.537 4.497 3.960 0.000 0.000 0.197 182 G HA3 0.537 4.497 3.960 0.000 0.000 0.197 182 G C 0.523 175.424 174.900 0.002 0.000 1.449 182 G CA -0.536 44.565 45.100 0.001 0.000 1.065 182 G HN 0.294 nan 8.290 nan 0.000 0.575 183 L N -0.486 120.738 121.223 0.001 0.000 2.408 183 L HA 0.166 4.507 4.340 0.000 0.000 0.215 183 L C 0.416 177.287 176.870 0.001 0.000 1.081 183 L CA 0.478 55.319 54.840 0.001 0.000 0.840 183 L CB -0.185 41.875 42.059 0.001 0.000 1.002 183 L HN 0.422 nan 8.230 nan 0.000 0.468 184 Q N 0.062 119.863 119.800 0.001 0.000 2.222 184 Q HA 0.284 4.624 4.340 0.000 0.000 0.252 184 Q C -0.690 175.311 176.000 0.001 0.000 0.926 184 Q CA -0.571 55.233 55.803 0.001 0.000 0.899 184 Q CB 0.598 29.336 28.738 0.000 0.000 1.250 184 Q HN -0.032 nan 8.270 nan 0.000 0.441 185 D N 1.450 121.851 120.400 0.001 0.000 2.399 185 D HA 0.085 4.725 4.640 0.000 0.000 0.241 185 D C -0.393 175.908 176.300 0.001 0.000 1.133 185 D CA 0.276 54.277 54.000 0.002 0.000 0.890 185 D CB 0.829 41.630 40.800 0.002 0.000 1.201 185 D HN 0.653 nan 8.370 nan 0.000 0.432 186 E N 0.997 121.197 120.200 0.001 0.000 2.304 186 E HA 0.364 4.714 4.350 0.000 0.000 0.277 186 E C -1.893 174.707 176.600 -0.001 0.000 0.898 186 E CA -0.821 55.578 56.400 -0.001 0.000 0.764 186 E CB 1.563 31.262 29.700 -0.001 0.000 1.216 186 E HN 0.186 nan 8.360 nan 0.000 0.419 187 L N 4.105 125.327 121.223 -0.002 0.000 2.298 187 L HA 0.502 4.842 4.340 0.000 0.000 0.284 187 L C -1.406 175.462 176.870 -0.003 0.000 1.013 187 L CA -0.257 54.581 54.840 -0.003 0.000 0.824 187 L CB 1.256 43.313 42.059 -0.003 0.000 1.221 187 L HN 0.456 nan 8.230 nan 0.000 0.418 188 D N 4.194 124.592 120.400 -0.004 0.000 2.177 188 D HA 0.478 5.118 4.640 0.000 0.000 0.247 188 D C -0.840 175.457 176.300 -0.005 0.000 1.063 188 D CA 0.066 54.063 54.000 -0.005 0.000 0.867 188 D CB 2.304 43.101 40.800 -0.005 0.000 1.168 188 D HN 0.289 nan 8.370 nan 0.000 0.445 189 V N 2.691 122.602 119.914 -0.005 0.000 2.447 189 V HA 0.193 4.313 4.120 0.000 0.000 0.292 189 V C -0.090 176.001 176.094 -0.004 0.000 1.021 189 V CA -0.874 61.423 62.300 -0.004 0.000 0.850 189 V CB 1.894 33.714 31.823 -0.004 0.000 1.005 189 V HN 0.285 nan 8.190 nan 0.000 0.426 190 V N 3.820 123.732 119.914 -0.003 0.000 2.461 190 V HA 0.369 4.489 4.120 0.000 0.000 0.275 190 V C 0.361 176.455 176.094 -0.000 0.000 1.047 190 V CA -0.681 61.617 62.300 -0.003 0.000 0.955 190 V CB 1.107 32.929 31.823 -0.002 0.000 0.988 190 V HN 0.743 nan 8.190 nan 0.000 0.471 191 E N 3.667 123.867 120.200 -0.001 0.000 2.152 191 E HA 0.469 4.819 4.350 0.000 0.000 0.285 191 E C 0.899 177.502 176.600 0.005 0.000 1.043 191 E CA 0.955 57.355 56.400 0.001 0.000 0.839 191 E CB 1.188 30.887 29.700 -0.002 0.000 1.069 191 E HN 1.013 nan 8.360 nan 0.000 0.399 192 G N 3.683 112.487 108.800 0.007 0.000 2.527 192 G HA2 -0.337 3.624 3.960 0.000 0.000 0.268 192 G HA3 -0.337 3.624 3.960 0.000 0.000 0.268 192 G C 0.019 174.934 174.900 0.024 0.000 1.175 192 G CA 0.339 45.446 45.100 0.013 0.000 0.962 192 G HN 0.554 nan 8.290 nan 0.000 0.560 193 M N 1.261 120.883 119.600 0.038 0.000 2.209 193 M HA 0.707 5.187 4.480 0.000 0.000 0.355 193 M C -0.348 176.012 176.300 0.101 0.000 1.171 193 M CA -0.129 55.213 55.300 0.071 0.000 1.069 193 M CB 1.264 33.910 32.600 0.076 0.000 1.622 193 M HN 0.960 nan 8.290 nan 0.000 0.459 194 Q N 4.857 124.741 119.800 0.140 0.000 2.503 194 Q HA 0.489 4.829 4.340 0.000 0.000 0.268 194 Q C -2.213 173.904 176.000 0.195 0.000 0.982 194 Q CA -0.758 55.112 55.803 0.111 0.000 0.907 194 Q CB 1.546 30.283 28.738 -0.002 0.000 1.467 194 Q HN 0.812 nan 8.270 nan 0.000 0.394 195 F N -0.297 119.645 119.950 -0.012 0.000 2.790 195 F HA 0.601 5.128 4.527 0.000 0.000 0.337 195 F C -0.596 175.195 175.800 -0.015 0.000 1.163 195 F CA -1.229 56.764 58.000 -0.010 0.000 0.997 195 F CB 0.711 39.707 39.000 -0.006 0.000 1.437 195 F HN 0.416 nan 8.300 nan 0.000 0.512 196 D N 0.457 120.941 120.400 0.140 0.000 2.870 196 D HA 0.231 4.871 4.640 0.000 0.000 0.241 196 D C -0.568 175.721 176.300 -0.018 0.000 1.234 196 D CA 0.067 54.080 54.000 0.022 0.000 0.844 196 D CB -0.126 40.715 40.800 0.068 0.000 1.051 196 D HN 0.112 nan 8.370 nan 0.000 0.469 197 R N 0.516 120.927 120.500 -0.149 0.000 2.513 197 R HA 0.614 4.954 4.340 0.000 0.000 0.301 197 R C 0.310 176.479 176.300 -0.218 0.000 0.968 197 R CA -0.795 55.239 56.100 -0.110 0.000 0.872 197 R CB 1.685 32.022 30.300 0.062 0.000 1.177 197 R HN 0.163 nan 8.270 nan 0.000 0.444 198 G N 1.492 110.165 108.800 -0.212 0.000 2.488 198 G HA2 0.403 4.363 3.960 0.000 0.000 0.318 198 G HA3 0.403 4.363 3.960 0.000 0.000 0.318 198 G C -0.539 174.206 174.900 -0.259 0.000 1.188 198 G CA -0.540 44.332 45.100 -0.380 0.000 0.944 198 G HN 0.457 nan 8.290 nan 0.000 0.495 199 Y N -1.037 119.282 120.300 0.032 0.000 2.757 199 Y HA 0.156 4.706 4.550 0.000 0.000 0.344 199 Y C 1.213 177.209 175.900 0.161 0.000 1.263 199 Y CA -0.681 57.489 58.100 0.116 0.000 1.493 199 Y CB 0.306 38.893 38.460 0.211 0.000 1.342 199 Y HN 0.206 nan 8.280 nan 0.000 0.627 200 L N 1.444 122.951 121.223 0.474 0.000 2.446 200 L HA 0.096 4.436 4.340 0.000 0.000 0.219 200 L C 0.461 177.541 176.870 0.350 0.000 1.116 200 L CA 0.816 55.869 54.840 0.354 0.000 0.844 200 L CB -0.073 42.165 42.059 0.297 0.000 0.970 200 L HN 0.839 nan 8.230 nan 0.000 0.457 201 S N -2.456 113.494 115.700 0.417 0.000 2.575 201 S HA 0.402 4.872 4.470 0.000 0.000 0.278 201 S C -2.452 172.112 174.600 -0.059 0.000 1.139 201 S CA -1.201 57.078 58.200 0.132 0.000 0.954 201 S CB 1.825 65.013 63.200 -0.021 0.000 1.054 201 S HN -0.244 nan 8.310 nan 0.000 0.483 202 P HA 0.029 nan 4.420 nan 0.000 0.236 202 P C 0.129 177.073 177.300 -0.593 0.000 1.172 202 P CA 0.643 63.328 63.100 -0.691 0.000 0.759 202 P CB -0.327 31.103 31.700 -0.450 0.000 0.843 203 Y N -2.657 117.434 120.300 -0.349 0.000 2.420 203 Y HA 0.010 4.560 4.550 0.000 0.000 0.292 203 Y C 1.868 177.607 175.900 -0.268 0.000 1.119 203 Y CA 0.639 58.554 58.100 -0.308 0.000 1.229 203 Y CB -1.002 37.255 38.460 -0.338 0.000 1.026 203 Y HN -0.096 nan 8.280 nan 0.000 0.554 204 F N 0.294 120.228 119.950 -0.027 0.000 2.250 204 F HA -0.132 4.395 4.527 0.000 0.000 0.301 204 F C 0.999 176.758 175.800 -0.068 0.000 1.077 204 F CA 0.179 58.164 58.000 -0.025 0.000 1.348 204 F CB -0.962 38.037 39.000 -0.002 0.000 1.040 204 F HN -0.154 nan 8.300 nan 0.000 0.509 205 I N 2.563 123.125 120.570 -0.012 0.000 2.792 205 I HA -0.182 3.988 4.170 0.000 0.000 0.284 205 I C 0.912 177.029 176.117 0.000 0.000 1.166 205 I CA 0.290 61.556 61.300 -0.056 0.000 1.375 205 I CB -0.113 37.771 38.000 -0.193 0.000 1.421 205 I HN 0.198 nan 8.210 nan 0.000 0.544 206 N N 5.815 124.534 118.700 0.032 0.000 2.336 206 N HA 0.001 4.741 4.740 0.000 0.000 0.189 206 N C -0.065 175.456 175.510 0.018 0.000 1.113 206 N CA 0.172 53.241 53.050 0.031 0.000 0.858 206 N CB 0.406 38.919 38.487 0.044 0.000 0.970 206 N HN 0.430 nan 8.380 nan 0.000 0.471 207 K N 0.886 121.294 120.400 0.013 0.000 2.701 207 K HA 0.220 4.540 4.320 0.000 0.000 0.212 207 K C -2.236 174.366 176.600 0.004 0.000 1.035 207 K CA -1.484 54.808 56.287 0.010 0.000 1.048 207 K CB 2.410 34.919 32.500 0.015 0.000 1.234 207 K HN -0.009 nan 8.250 nan 0.000 0.540 208 P HA -0.165 nan 4.420 nan 0.000 0.222 208 P C 0.364 177.662 177.300 -0.002 0.000 1.147 208 P CA 1.216 64.309 63.100 -0.012 0.000 0.790 208 P CB 0.465 32.154 31.700 -0.018 0.000 0.780 209 E N -0.026 120.175 120.200 0.002 0.000 2.110 209 E HA -0.119 4.231 4.350 0.000 0.000 0.193 209 E C 1.880 178.485 176.600 0.008 0.000 0.988 209 E CA 1.772 58.175 56.400 0.004 0.000 0.804 209 E CB -1.532 28.170 29.700 0.004 0.000 0.745 209 E HN 0.277 nan 8.360 nan 0.000 0.458 210 T N -1.058 113.503 114.554 0.013 0.000 3.014 210 T HA 0.166 4.516 4.350 0.000 0.000 0.263 210 T C 1.473 176.192 174.700 0.032 0.000 1.078 210 T CA 0.665 62.777 62.100 0.020 0.000 1.135 210 T CB -0.056 68.825 68.868 0.022 0.000 0.895 210 T HN 0.424 nan 8.240 nan 0.000 0.480 211 G N 1.415 110.235 108.800 0.033 0.000 2.160 211 G HA2 0.063 4.023 3.960 0.000 0.000 0.244 211 G HA3 0.063 4.023 3.960 0.000 0.000 0.244 211 G C 0.028 175.000 174.900 0.119 0.000 1.022 211 G CA -0.020 45.112 45.100 0.053 0.000 0.741 211 G HN 0.974 nan 8.290 nan 0.000 0.508 212 A N -1.344 121.531 122.820 0.093 0.000 2.556 212 A HA 0.907 5.227 4.320 0.000 0.000 0.294 212 A C -0.255 177.385 177.584 0.093 0.000 1.091 212 A CA -0.182 51.938 52.037 0.138 0.000 0.704 212 A CB 1.972 21.026 19.000 0.090 0.000 1.300 212 A HN 1.283 nan 8.150 nan 0.000 0.406 213 V N 0.931 120.919 119.914 0.123 0.000 2.539 213 V HA 0.601 4.721 4.120 0.000 0.000 0.292 213 V C 0.127 176.250 176.094 0.048 0.000 1.045 213 V CA -0.314 62.037 62.300 0.085 0.000 0.945 213 V CB 1.381 33.273 31.823 0.116 0.000 0.993 213 V HN 0.908 nan 8.190 nan 0.000 0.464 214 E N 4.052 124.273 120.200 0.034 0.000 2.281 214 E HA 0.616 4.966 4.350 0.000 0.000 0.266 214 E C -1.902 174.707 176.600 0.015 0.000 0.893 214 E CA -0.539 55.872 56.400 0.018 0.000 0.798 214 E CB 1.594 31.303 29.700 0.015 0.000 1.245 214 E HN 0.663 nan 8.360 nan 0.000 0.410 215 L N 2.431 123.658 121.223 0.006 0.000 2.370 215 L HA 0.617 4.957 4.340 0.000 0.000 0.266 215 L C -0.573 176.294 176.870 -0.006 0.000 1.002 215 L CA -1.038 53.804 54.840 0.005 0.000 0.818 215 L CB 2.134 44.197 42.059 0.006 0.000 1.325 215 L HN 0.452 nan 8.230 nan 0.000 0.418 216 E N 0.290 120.485 120.200 -0.009 0.000 2.222 216 E HA 0.443 4.793 4.350 0.000 0.000 0.267 216 E C -0.466 176.110 176.600 -0.040 0.000 0.884 216 E CA -0.868 55.519 56.400 -0.022 0.000 0.764 216 E CB 1.852 31.543 29.700 -0.015 0.000 1.169 216 E HN 0.604 nan 8.360 nan 0.000 0.413 217 S N 1.103 116.764 115.700 -0.065 0.000 3.614 217 S HA -0.123 4.347 4.470 0.000 0.000 0.360 217 S C -2.257 172.238 174.600 -0.175 0.000 1.023 217 S CA 0.471 58.599 58.200 -0.120 0.000 1.114 217 S CB -1.531 61.602 63.200 -0.112 0.000 0.907 217 S HN 0.478 nan 8.310 nan 0.000 0.470 218 P HA 0.502 nan 4.420 nan 0.000 0.282 218 P C 0.098 177.317 177.300 -0.134 0.000 1.249 218 P CA -0.597 62.457 63.100 -0.077 0.000 0.806 218 P CB 0.427 32.120 31.700 -0.010 0.000 0.984 219 F N 1.542 121.494 119.950 0.002 0.000 2.410 219 F HA 0.309 4.836 4.527 0.000 0.000 0.334 219 F C 1.058 176.859 175.800 0.002 0.000 1.134 219 F CA 0.238 58.240 58.000 0.003 0.000 1.227 219 F CB 0.318 39.320 39.000 0.003 0.000 1.194 219 F HN 0.082 nan 8.300 nan 0.000 0.571 220 I N 3.737 124.430 120.570 0.205 0.000 2.447 220 I HA 0.238 4.409 4.170 0.000 0.000 0.287 220 I C -1.259 174.918 176.117 0.100 0.000 1.023 220 I CA -0.842 60.527 61.300 0.115 0.000 1.083 220 I CB 1.747 39.792 38.000 0.075 0.000 1.245 220 I HN 0.251 nan 8.210 nan 0.000 0.434 221 L N 8.168 129.434 121.223 0.071 0.000 2.255 221 L HA 0.484 4.824 4.340 0.000 0.000 0.289 221 L C -0.855 176.035 176.870 0.034 0.000 1.046 221 L CA -0.072 54.796 54.840 0.046 0.000 0.816 221 L CB 0.613 42.691 42.059 0.031 0.000 1.197 221 L HN 0.452 nan 8.230 nan 0.000 0.427 222 L N 6.197 127.435 121.223 0.026 0.000 2.262 222 L HA 0.685 5.025 4.340 0.000 0.000 0.288 222 L C 0.019 176.894 176.870 0.008 0.000 1.035 222 L CA -0.514 54.333 54.840 0.013 0.000 0.820 222 L CB 1.139 43.200 42.059 0.003 0.000 1.204 222 L HN 0.771 nan 8.230 nan 0.000 0.424 223 A N 1.948 124.774 122.820 0.010 0.000 2.285 223 A HA 0.335 4.655 4.320 0.000 0.000 0.310 223 A C -0.410 177.179 177.584 0.007 0.000 1.266 223 A CA -0.535 51.508 52.037 0.010 0.000 0.832 223 A CB 0.782 19.792 19.000 0.016 0.000 1.163 223 A HN 0.697 nan 8.150 nan 0.000 0.499 224 D N 2.815 123.216 120.400 0.002 0.000 2.713 224 D HA 0.352 4.992 4.640 0.000 0.000 0.229 224 D C -0.045 176.259 176.300 0.007 0.000 1.136 224 D CA 0.316 54.316 54.000 0.000 0.000 1.010 224 D CB -0.599 40.196 40.800 -0.008 0.000 1.084 224 D HN 0.606 nan 8.370 nan 0.000 0.495 225 K N -0.324 120.085 120.400 0.015 0.000 2.774 225 K HA 0.198 4.518 4.320 0.000 0.000 0.283 225 K C -1.066 175.550 176.600 0.027 0.000 1.050 225 K CA -1.151 55.148 56.287 0.020 0.000 0.872 225 K CB 0.585 33.095 32.500 0.016 0.000 1.434 225 K HN -0.173 nan 8.250 nan 0.000 0.372 226 K N 1.692 122.110 120.400 0.030 0.000 2.414 226 K HA 0.194 4.514 4.320 0.000 0.000 0.272 226 K C -0.256 176.364 176.600 0.034 0.000 0.993 226 K CA 0.066 56.374 56.287 0.035 0.000 0.964 226 K CB 0.306 32.826 32.500 0.035 0.000 0.925 226 K HN 0.404 nan 8.250 nan 0.000 0.487 227 I N 2.236 122.830 120.570 0.040 0.000 2.420 227 I HA 0.035 4.205 4.170 0.000 0.000 0.282 227 I C 0.271 176.413 176.117 0.041 0.000 1.019 227 I CA -0.073 61.251 61.300 0.039 0.000 1.130 227 I CB 1.751 39.778 38.000 0.045 0.000 1.262 227 I HN 0.663 nan 8.210 nan 0.000 0.454 228 S N 3.475 119.195 115.700 0.033 0.000 2.591 228 S HA 0.195 4.665 4.470 0.000 0.000 0.235 228 S C 0.723 175.339 174.600 0.027 0.000 1.074 228 S CA -0.030 58.189 58.200 0.031 0.000 0.925 228 S CB 0.267 63.483 63.200 0.026 0.000 0.818 228 S HN 0.572 nan 8.310 nan 0.000 0.535 229 N N 2.100 120.813 118.700 0.023 0.000 2.434 229 N HA 0.269 5.009 4.740 0.000 0.000 0.272 229 N C 0.406 175.929 175.510 0.021 0.000 1.040 229 N CA -0.073 52.988 53.050 0.019 0.000 0.956 229 N CB 1.418 39.913 38.487 0.014 0.000 1.108 229 N HN 0.148 nan 8.380 nan 0.000 0.481 230 I N 3.251 123.833 120.570 0.020 0.000 2.614 230 I HA -0.197 3.974 4.170 0.000 0.000 0.258 230 I C 1.805 177.931 176.117 0.014 0.000 1.189 230 I CA 0.840 62.152 61.300 0.021 0.000 1.462 230 I CB 0.177 38.190 38.000 0.021 0.000 1.092 230 I HN 0.456 nan 8.210 nan 0.000 0.442 231 R N 0.908 121.415 120.500 0.011 0.000 2.119 231 R HA -0.233 4.107 4.340 0.000 0.000 0.246 231 R C 1.732 178.035 176.300 0.006 0.000 1.146 231 R CA 1.844 57.948 56.100 0.007 0.000 0.962 231 R CB -0.802 29.501 30.300 0.005 0.000 0.863 231 R HN 0.499 nan 8.270 nan 0.000 0.442 232 E N 0.258 120.463 120.200 0.008 0.000 2.333 232 E HA -0.131 4.219 4.350 0.000 0.000 0.198 232 E C 1.815 178.418 176.600 0.005 0.000 1.007 232 E CA 0.830 57.234 56.400 0.007 0.000 0.845 232 E CB 0.002 29.709 29.700 0.010 0.000 0.766 232 E HN 0.337 nan 8.360 nan 0.000 0.507 233 M N -0.193 119.412 119.600 0.008 0.000 2.556 233 M HA 0.058 4.538 4.480 0.000 0.000 0.264 233 M C 2.260 178.559 176.300 -0.002 0.000 1.163 233 M CA 0.595 55.899 55.300 0.007 0.000 1.186 233 M CB -0.617 31.993 32.600 0.017 0.000 1.321 233 M HN 0.118 nan 8.290 nan 0.000 0.485 234 L N 1.068 122.291 121.223 -0.000 0.000 2.011 234 L HA -0.257 4.083 4.340 0.000 0.000 0.225 234 L C -0.403 176.459 176.870 -0.013 0.000 1.084 234 L CA 2.105 56.943 54.840 -0.004 0.000 0.791 234 L CB -2.422 39.636 42.059 -0.002 0.000 0.898 234 L HN 0.169 nan 8.230 nan 0.000 0.440 235 P HA -0.154 nan 4.420 nan 0.000 0.217 235 P C 1.720 178.999 177.300 -0.036 0.000 1.148 235 P CA 1.541 64.627 63.100 -0.023 0.000 0.828 235 P CB 0.028 31.716 31.700 -0.020 0.000 0.783 236 V N 0.058 119.950 119.914 -0.037 0.000 2.341 236 V HA -0.114 4.006 4.120 0.000 0.000 0.240 236 V C 2.777 178.834 176.094 -0.062 0.000 1.035 236 V CA 1.023 63.289 62.300 -0.057 0.000 1.033 236 V CB -1.312 30.483 31.823 -0.046 0.000 0.678 236 V HN -0.049 nan 8.190 nan 0.000 0.464 237 L N 0.252 121.455 121.223 -0.034 0.000 2.197 237 L HA -0.254 4.086 4.340 0.000 0.000 0.215 237 L C 2.475 179.329 176.870 -0.028 0.000 1.095 237 L CA 1.774 56.601 54.840 -0.021 0.000 0.764 237 L CB -0.634 41.426 42.059 0.002 0.000 0.897 237 L HN 0.501 nan 8.230 nan 0.000 0.436 238 E N -0.302 119.879 120.200 -0.033 0.000 2.190 238 E HA -0.018 4.332 4.350 0.000 0.000 0.191 238 E C 2.333 178.906 176.600 -0.046 0.000 0.978 238 E CA 0.742 57.124 56.400 -0.029 0.000 0.839 238 E CB -0.028 29.659 29.700 -0.022 0.000 0.787 238 E HN 0.464 nan 8.360 nan 0.000 0.473 239 A N 1.416 124.193 122.820 -0.071 0.000 1.972 239 A HA -0.119 4.201 4.320 0.000 0.000 0.219 239 A C 2.449 179.948 177.584 -0.142 0.000 1.169 239 A CA 1.055 53.031 52.037 -0.102 0.000 0.635 239 A CB -0.470 18.455 19.000 -0.126 0.000 0.810 239 A HN 0.102 nan 8.150 nan 0.000 0.446 240 V N -0.488 119.336 119.914 -0.151 0.000 2.488 240 V HA -0.116 4.004 4.120 0.000 0.000 0.246 240 V C 2.926 179.003 176.094 -0.028 0.000 1.046 240 V CA 1.493 63.706 62.300 -0.145 0.000 1.053 240 V CB -1.253 30.500 31.823 -0.116 0.000 0.679 240 V HN 0.552 nan 8.190 nan 0.000 0.458 241 A N -0.442 122.368 122.820 -0.016 0.000 2.019 241 A HA -0.202 4.118 4.320 0.000 0.000 0.219 241 A C 2.335 179.925 177.584 0.010 0.000 1.164 241 A CA 1.731 53.773 52.037 0.008 0.000 0.644 241 A CB -0.388 18.615 19.000 0.005 0.000 0.805 241 A HN 0.485 nan 8.150 nan 0.000 0.449 242 K N -0.802 119.596 120.400 -0.005 0.000 2.167 242 K HA 0.090 4.410 4.320 0.000 0.000 0.203 242 K C 2.001 178.613 176.600 0.020 0.000 1.052 242 K CA 0.845 57.133 56.287 0.002 0.000 0.956 242 K CB -0.118 32.375 32.500 -0.012 0.000 0.735 242 K HN 0.426 nan 8.250 nan 0.000 0.451 243 A N 0.230 123.067 122.820 0.028 0.000 2.169 243 A HA 0.121 4.441 4.320 0.000 0.000 0.212 243 A C 1.311 178.963 177.584 0.113 0.000 1.153 243 A CA 0.976 53.065 52.037 0.087 0.000 0.756 243 A CB -0.294 18.792 19.000 0.143 0.000 0.813 243 A HN 0.414 nan 8.150 nan 0.000 0.471 244 G N -0.667 108.185 108.800 0.086 0.000 2.179 244 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 244 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 244 G C 0.133 175.090 174.900 0.096 0.000 1.010 244 G CA 0.861 46.007 45.100 0.076 0.000 0.736 244 G HN 0.599 nan 8.290 nan 0.000 0.513 245 K N 0.696 121.190 120.400 0.156 0.000 2.208 245 K HA 0.551 4.871 4.320 0.000 0.000 0.247 245 K C -2.081 174.619 176.600 0.167 0.000 0.953 245 K CA -2.028 54.356 56.287 0.162 0.000 0.837 245 K CB 2.259 34.889 32.500 0.216 0.000 1.131 245 K HN 0.040 nan 8.250 nan 0.000 0.431 246 P HA 0.137 nan 4.420 nan 0.000 0.275 246 P C -1.222 176.157 177.300 0.131 0.000 1.266 246 P CA -0.510 62.648 63.100 0.096 0.000 0.793 246 P CB 0.613 32.346 31.700 0.054 0.000 1.074 247 L N 0.577 121.855 121.223 0.092 0.000 2.464 247 L HA 0.507 4.847 4.340 0.000 0.000 0.266 247 L C -1.515 175.371 176.870 0.027 0.000 0.965 247 L CA -0.973 53.926 54.840 0.098 0.000 0.833 247 L CB 1.692 43.809 42.059 0.096 0.000 1.296 247 L HN 0.138 nan 8.230 nan 0.000 0.405 248 L N 5.704 126.946 121.223 0.032 0.000 2.307 248 L HA 0.649 4.989 4.340 0.000 0.000 0.282 248 L C -1.062 175.810 176.870 0.004 0.000 1.051 248 L CA -0.141 54.693 54.840 -0.010 0.000 0.804 248 L CB 1.263 43.329 42.059 0.011 0.000 1.197 248 L HN 0.475 nan 8.230 nan 0.000 0.431 249 I N 7.049 127.601 120.570 -0.030 0.000 2.390 249 I HA 0.305 4.475 4.170 0.000 0.000 0.283 249 I C -0.451 175.680 176.117 0.023 0.000 1.016 249 I CA -0.245 61.055 61.300 0.000 0.000 1.151 249 I CB 0.982 38.977 38.000 -0.008 0.000 1.293 249 I HN 0.529 nan 8.210 nan 0.000 0.458 250 I N 5.745 126.344 120.570 0.048 0.000 2.337 250 I HA 0.542 4.712 4.170 0.000 0.000 0.285 250 I C 0.500 176.642 176.117 0.041 0.000 1.041 250 I CA -0.036 61.305 61.300 0.069 0.000 1.199 250 I CB 1.225 39.279 38.000 0.090 0.000 1.370 250 I HN 0.636 nan 8.210 nan 0.000 0.470 251 A N 4.320 127.169 122.820 0.048 0.000 2.344 251 A HA 0.458 4.778 4.320 0.000 0.000 0.307 251 A C 1.026 178.636 177.584 0.043 0.000 1.151 251 A CA -0.535 51.524 52.037 0.038 0.000 0.842 251 A CB 1.022 20.046 19.000 0.041 0.000 1.350 251 A HN 0.715 nan 8.150 nan 0.000 0.459 252 E N -0.732 119.489 120.200 0.037 0.000 2.160 252 E HA -0.154 4.196 4.350 0.000 0.000 0.195 252 E C -0.307 176.327 176.600 0.056 0.000 0.991 252 E CA 1.757 58.184 56.400 0.044 0.000 0.810 252 E CB 0.116 29.839 29.700 0.038 0.000 0.742 252 E HN 0.631 nan 8.360 nan 0.000 0.466 253 D N -2.356 118.078 120.400 0.057 0.000 2.783 253 D HA 0.119 4.759 4.640 0.000 0.000 0.253 253 D C -2.001 174.340 176.300 0.068 0.000 1.206 253 D CA -0.507 53.532 54.000 0.065 0.000 0.740 253 D CB 1.611 42.446 40.800 0.059 0.000 1.313 253 D HN -0.132 nan 8.370 nan 0.000 0.427 254 V N 2.588 122.552 119.914 0.084 0.000 2.380 254 V HA 0.445 4.565 4.120 0.000 0.000 0.286 254 V C 0.238 176.388 176.094 0.094 0.000 1.015 254 V CA -0.614 61.742 62.300 0.094 0.000 0.834 254 V CB 1.289 33.186 31.823 0.123 0.000 1.009 254 V HN 0.451 nan 8.190 nan 0.000 0.428 255 E N 2.496 122.740 120.200 0.073 0.000 2.561 255 E HA 0.468 4.818 4.350 0.000 0.000 0.254 255 E C 1.439 178.074 176.600 0.058 0.000 1.213 255 E CA -0.055 56.382 56.400 0.061 0.000 0.995 255 E CB 0.793 30.521 29.700 0.046 0.000 1.233 255 E HN 0.626 nan 8.360 nan 0.000 0.556 256 G N 0.818 109.645 108.800 0.046 0.000 2.875 256 G HA2 -0.384 3.576 3.960 0.000 0.000 0.220 256 G HA3 -0.384 3.576 3.960 0.000 0.000 0.220 256 G C 1.261 176.180 174.900 0.032 0.000 1.293 256 G CA 1.149 46.271 45.100 0.036 0.000 0.789 256 G HN 0.544 nan 8.290 nan 0.000 0.677 257 E N 0.828 121.044 120.200 0.026 0.000 2.048 257 E HA -0.215 4.135 4.350 0.000 0.000 0.202 257 E C 2.986 179.602 176.600 0.026 0.000 1.021 257 E CA 1.639 58.052 56.400 0.020 0.000 0.825 257 E CB -0.678 29.032 29.700 0.018 0.000 0.756 257 E HN 0.314 nan 8.360 nan 0.000 0.454 258 A N 1.228 124.070 122.820 0.037 0.000 1.841 258 A HA -0.206 4.114 4.320 0.000 0.000 0.216 258 A C 2.317 179.939 177.584 0.064 0.000 1.199 258 A CA 1.752 53.817 52.037 0.048 0.000 0.621 258 A CB -1.075 17.958 19.000 0.054 0.000 0.835 258 A HN 0.326 nan 8.150 nan 0.000 0.445 259 L N -0.128 121.144 121.223 0.082 0.000 1.963 259 L HA -0.227 4.113 4.340 0.000 0.000 0.220 259 L C 2.789 179.691 176.870 0.052 0.000 1.076 259 L CA 2.663 57.570 54.840 0.112 0.000 0.772 259 L CB -1.190 40.941 42.059 0.121 0.000 0.892 259 L HN 0.465 nan 8.230 nan 0.000 0.435 260 A N -1.758 121.073 122.820 0.018 0.000 1.894 260 A HA -0.367 3.953 4.320 0.000 0.000 0.220 260 A C 2.302 179.861 177.584 -0.042 0.000 1.237 260 A CA 3.210 55.230 52.037 -0.029 0.000 0.660 260 A CB -1.552 17.435 19.000 -0.021 0.000 0.835 260 A HN 0.588 nan 8.150 nan 0.000 0.461 261 T N 0.070 114.618 114.554 -0.010 0.000 2.746 261 T HA -0.084 4.266 4.350 0.000 0.000 0.267 261 T C 1.828 176.532 174.700 0.007 0.000 1.039 261 T CA 1.367 63.462 62.100 -0.008 0.000 1.142 261 T CB -0.381 68.490 68.868 0.006 0.000 0.866 261 T HN 0.359 nan 8.240 nan 0.000 0.444 262 L N 0.762 122.016 121.223 0.051 0.000 2.042 262 L HA -0.140 4.200 4.340 0.000 0.000 0.210 262 L C 2.631 179.545 176.870 0.073 0.000 1.076 262 L CA 1.145 56.056 54.840 0.118 0.000 0.749 262 L CB -0.587 41.618 42.059 0.242 0.000 0.893 262 L HN 0.175 nan 8.230 nan 0.000 0.432 263 V N -0.776 119.099 119.914 -0.064 0.000 2.343 263 V HA -0.261 3.859 4.120 0.000 0.000 0.247 263 V C 2.382 178.356 176.094 -0.200 0.000 1.051 263 V CA 1.659 63.800 62.300 -0.266 0.000 1.036 263 V CB -0.382 31.240 31.823 -0.335 0.000 0.654 263 V HN 0.247 nan 8.190 nan 0.000 0.451 264 V N 0.658 120.485 119.914 -0.146 0.000 2.407 264 V HA -0.263 3.857 4.120 0.000 0.000 0.248 264 V C 2.009 178.063 176.094 -0.066 0.000 1.055 264 V CA 2.344 64.570 62.300 -0.122 0.000 1.049 264 V CB -1.103 30.664 31.823 -0.093 0.000 0.662 264 V HN 0.642 nan 8.190 nan 0.000 0.455 265 N N 0.512 119.197 118.700 -0.025 0.000 2.207 265 N HA -0.135 4.605 4.740 0.000 0.000 0.182 265 N C 1.991 177.517 175.510 0.026 0.000 1.020 265 N CA 1.629 54.684 53.050 0.007 0.000 0.858 265 N CB -0.189 38.316 38.487 0.030 0.000 0.991 265 N HN 0.669 nan 8.380 nan 0.000 0.427 266 T N -0.372 114.213 114.554 0.051 0.000 2.812 266 T HA -0.076 4.274 4.350 0.000 0.000 0.264 266 T C 1.938 176.661 174.700 0.038 0.000 1.042 266 T CA 0.595 62.747 62.100 0.087 0.000 1.140 266 T CB -0.234 68.754 68.868 0.202 0.000 0.870 266 T HN -0.022 nan 8.240 nan 0.000 0.445 267 M N 1.498 121.087 119.600 -0.018 0.000 2.082 267 M HA -0.021 4.459 4.480 0.000 0.000 0.258 267 M C 2.321 178.608 176.300 -0.022 0.000 1.071 267 M CA 1.692 56.967 55.300 -0.042 0.000 1.103 267 M CB -0.397 32.135 32.600 -0.113 0.000 1.307 267 M HN 0.058 nan 8.290 nan 0.000 0.409 268 R N -0.364 120.121 120.500 -0.024 0.000 2.369 268 R HA 0.081 4.421 4.340 0.000 0.000 0.200 268 R C 0.779 177.078 176.300 -0.001 0.000 1.046 268 R CA 0.634 56.724 56.100 -0.016 0.000 1.057 268 R CB -0.662 29.626 30.300 -0.021 0.000 0.888 268 R HN 0.752 nan 8.270 nan 0.000 0.474 269 G N 0.940 109.746 108.800 0.010 0.000 2.176 269 G HA2 -0.270 3.690 3.960 0.000 0.000 0.252 269 G HA3 -0.270 3.690 3.960 0.000 0.000 0.252 269 G C 0.613 175.525 174.900 0.020 0.000 1.024 269 G CA 0.246 45.356 45.100 0.018 0.000 0.755 269 G HN 0.315 nan 8.290 nan 0.000 0.507 270 I N -1.118 119.465 120.570 0.021 0.000 2.185 270 I HA 0.101 4.271 4.170 0.000 0.000 0.235 270 I C 1.043 177.178 176.117 0.030 0.000 1.069 270 I CA 1.248 62.560 61.300 0.021 0.000 1.354 270 I CB -0.162 37.848 38.000 0.017 0.000 1.093 270 I HN 0.077 nan 8.210 nan 0.000 0.411 271 V N 0.743 120.682 119.914 0.042 0.000 2.686 271 V HA 0.260 4.381 4.120 0.000 0.000 0.306 271 V C -0.644 175.492 176.094 0.070 0.000 1.065 271 V CA -1.057 61.274 62.300 0.051 0.000 0.894 271 V CB 1.706 33.557 31.823 0.047 0.000 1.004 271 V HN 0.103 nan 8.190 nan 0.000 0.424 272 K N 2.941 123.383 120.400 0.070 0.000 2.363 272 K HA 0.539 4.859 4.320 0.000 0.000 0.289 272 K C -0.664 175.985 176.600 0.082 0.000 1.063 272 K CA 0.317 56.652 56.287 0.080 0.000 0.967 272 K CB 0.573 33.112 32.500 0.065 0.000 0.987 272 K HN 0.531 nan 8.250 nan 0.000 0.473 273 V N 1.377 121.356 119.914 0.109 0.000 3.078 273 V HA 0.869 4.989 4.120 0.000 0.000 0.311 273 V C -0.884 175.154 176.094 -0.095 0.000 1.138 273 V CA -1.124 61.206 62.300 0.050 0.000 1.007 273 V CB 2.143 34.020 31.823 0.090 0.000 1.045 273 V HN 0.749 nan 8.190 nan 0.000 0.432 274 A N 1.434 124.008 122.820 -0.411 0.000 2.587 274 A HA 1.055 5.375 4.320 0.000 0.000 0.293 274 A C -0.898 176.199 177.584 -0.812 0.000 1.087 274 A CA -0.152 51.242 52.037 -1.071 0.000 0.692 274 A CB 2.042 20.741 19.000 -0.502 0.000 1.291 274 A HN 2.002 nan 8.150 nan 0.000 0.407 275 A N 0.069 122.321 122.820 -0.947 0.000 2.520 275 A HA 0.864 5.184 4.320 0.000 0.000 0.298 275 A C -0.911 176.637 177.584 -0.060 0.000 1.051 275 A CA -0.065 51.803 52.037 -0.283 0.000 0.690 275 A CB 1.476 20.434 19.000 -0.071 0.000 1.281 275 A HN 2.322 nan 8.150 nan 0.000 0.402 276 V N -0.898 119.031 119.914 0.024 0.000 2.924 276 V HA 0.521 4.641 4.120 0.000 0.000 0.300 276 V C -0.487 175.678 176.094 0.119 0.000 1.227 276 V CA -1.271 61.072 62.300 0.072 0.000 0.954 276 V CB 1.088 32.938 31.823 0.044 0.000 1.055 276 V HN 0.943 nan 8.190 nan 0.000 0.429 277 K N 1.817 122.290 120.400 0.121 0.000 2.344 277 K HA 0.577 4.897 4.320 0.000 0.000 0.260 277 K C 0.634 177.340 176.600 0.175 0.000 0.988 277 K CA 0.524 56.887 56.287 0.126 0.000 0.909 277 K CB 0.656 33.218 32.500 0.104 0.000 0.968 277 K HN 1.155 nan 8.250 nan 0.000 0.505 278 A N 2.919 125.804 122.820 0.108 0.000 2.332 278 A HA 0.294 4.614 4.320 0.000 0.000 0.258 278 A C -2.177 175.435 177.584 0.046 0.000 1.087 278 A CA -1.256 50.806 52.037 0.041 0.000 0.802 278 A CB -0.182 18.819 19.000 0.001 0.000 1.042 278 A HN 0.452 nan 8.150 nan 0.000 0.489 279 P HA 0.389 nan 4.420 nan 0.000 0.280 279 P C 0.706 178.017 177.300 0.019 0.000 1.244 279 P CA 1.373 64.448 63.100 -0.042 0.000 0.784 279 P CB 0.654 32.159 31.700 -0.325 0.000 0.913 280 G N 2.789 111.652 108.800 0.105 0.000 2.682 280 G HA2 -0.141 3.819 3.960 0.000 0.000 0.256 280 G HA3 -0.141 3.819 3.960 0.000 0.000 0.256 280 G C -0.516 174.539 174.900 0.260 0.000 1.333 280 G CA 0.300 45.508 45.100 0.180 0.000 0.904 280 G HN 0.694 nan 8.290 nan 0.000 0.569 281 F N -2.353 117.608 119.950 0.019 0.000 2.922 281 F HA 0.846 5.373 4.527 0.000 0.000 0.345 281 F C 1.326 177.136 175.800 0.016 0.000 1.209 281 F CA 0.224 58.234 58.000 0.017 0.000 1.018 281 F CB 0.553 39.567 39.000 0.022 0.000 1.472 281 F HN 2.368 nan 8.300 nan 0.000 0.521 282 G N 0.836 109.469 108.800 -0.279 0.000 2.622 282 G HA2 -0.314 3.646 3.960 0.000 0.000 0.307 282 G HA3 -0.314 3.646 3.960 0.000 0.000 0.307 282 G C 0.460 175.235 174.900 -0.209 0.000 1.226 282 G CA 0.787 45.666 45.100 -0.368 0.000 0.997 282 G HN 0.856 nan 8.290 nan 0.000 0.551 283 D N 0.983 121.250 120.400 -0.220 0.000 2.216 283 D HA -0.020 4.620 4.640 0.000 0.000 0.208 283 D C 2.630 178.862 176.300 -0.113 0.000 0.960 283 D CA 1.217 55.139 54.000 -0.129 0.000 0.861 283 D CB -0.047 40.689 40.800 -0.106 0.000 0.985 283 D HN 0.625 nan 8.370 nan 0.000 0.493 284 R N 1.451 121.868 120.500 -0.138 0.000 2.120 284 R HA -0.051 4.289 4.340 0.000 0.000 0.234 284 R C 2.294 178.539 176.300 -0.092 0.000 1.123 284 R CA 0.633 56.668 56.100 -0.109 0.000 0.975 284 R CB -0.488 29.745 30.300 -0.112 0.000 0.866 284 R HN 0.058 nan 8.270 nan 0.000 0.446 285 R N 2.084 122.532 120.500 -0.087 0.000 2.115 285 R HA -0.217 4.123 4.340 0.000 0.000 0.239 285 R C 1.718 177.976 176.300 -0.071 0.000 1.133 285 R CA 2.353 58.415 56.100 -0.063 0.000 0.935 285 R CB -0.156 30.128 30.300 -0.026 0.000 0.853 285 R HN 0.287 nan 8.270 nan 0.000 0.433 286 K N -0.137 120.228 120.400 -0.059 0.000 2.032 286 K HA -0.125 4.195 4.320 0.000 0.000 0.209 286 K C 2.230 178.795 176.600 -0.058 0.000 1.048 286 K CA 1.533 57.789 56.287 -0.051 0.000 0.927 286 K CB -0.261 32.215 32.500 -0.041 0.000 0.712 286 K HN 0.307 nan 8.250 nan 0.000 0.441 287 A N 1.447 124.230 122.820 -0.062 0.000 1.902 287 A HA -0.148 4.172 4.320 0.000 0.000 0.217 287 A C 2.152 179.692 177.584 -0.072 0.000 1.181 287 A CA 1.461 53.461 52.037 -0.061 0.000 0.623 287 A CB -0.432 18.532 19.000 -0.061 0.000 0.818 287 A HN 0.233 nan 8.150 nan 0.000 0.443 288 M N -1.088 118.459 119.600 -0.089 0.000 2.254 288 M HA 0.023 4.504 4.480 0.000 0.000 0.265 288 M C 2.094 178.308 176.300 -0.144 0.000 1.066 288 M CA 1.047 56.278 55.300 -0.115 0.000 1.123 288 M CB -0.157 32.366 32.600 -0.129 0.000 1.388 288 M HN 0.490 nan 8.290 nan 0.000 0.425 289 L N 0.007 121.150 121.223 -0.134 0.000 2.131 289 L HA -0.257 4.083 4.340 0.000 0.000 0.210 289 L C 2.454 179.270 176.870 -0.090 0.000 1.092 289 L CA 1.304 56.065 54.840 -0.130 0.000 0.759 289 L CB -0.266 41.736 42.059 -0.095 0.000 0.903 289 L HN 0.325 nan 8.230 nan 0.000 0.435 290 Q N 0.245 120.002 119.800 -0.070 0.000 2.135 290 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 290 Q C 1.630 177.600 176.000 -0.051 0.000 0.981 290 Q CA 2.059 57.832 55.803 -0.051 0.000 0.856 290 Q CB -0.219 28.493 28.738 -0.043 0.000 0.902 290 Q HN 0.441 nan 8.270 nan 0.000 0.425 291 D N -0.074 120.288 120.400 -0.064 0.000 2.106 291 D HA -0.190 4.450 4.640 0.000 0.000 0.191 291 D C 1.906 178.174 176.300 -0.052 0.000 0.997 291 D CA 1.736 55.702 54.000 -0.058 0.000 0.834 291 D CB -0.341 40.416 40.800 -0.072 0.000 0.956 291 D HN 0.403 nan 8.370 nan 0.000 0.448 292 I N 1.172 121.697 120.570 -0.076 0.000 2.208 292 I HA -0.287 3.883 4.170 0.000 0.000 0.245 292 I C 2.523 178.624 176.117 -0.026 0.000 1.097 292 I CA 1.071 62.336 61.300 -0.057 0.000 1.363 292 I CB -0.348 37.590 38.000 -0.104 0.000 1.051 292 I HN -0.070 nan 8.210 nan 0.000 0.413 293 A N 0.936 123.739 122.820 -0.028 0.000 1.859 293 A HA -0.262 4.058 4.320 0.000 0.000 0.217 293 A C 2.426 180.006 177.584 -0.006 0.000 1.198 293 A CA 2.872 54.902 52.037 -0.011 0.000 0.629 293 A CB -1.350 17.642 19.000 -0.014 0.000 0.830 293 A HN 0.410 nan 8.150 nan 0.000 0.446 294 T N 0.445 114.991 114.554 -0.013 0.000 2.665 294 T HA -0.165 4.185 4.350 0.000 0.000 0.268 294 T C 1.813 176.510 174.700 -0.006 0.000 1.035 294 T CA 1.412 63.506 62.100 -0.010 0.000 1.151 294 T CB -0.395 68.464 68.868 -0.015 0.000 0.862 294 T HN 0.262 nan 8.240 nan 0.000 0.438 295 L N 1.699 122.918 121.223 -0.007 0.000 2.131 295 L HA -0.065 4.275 4.340 0.000 0.000 0.210 295 L C 2.275 179.145 176.870 0.000 0.000 1.092 295 L CA 2.234 57.072 54.840 -0.003 0.000 0.759 295 L CB -1.207 40.853 42.059 0.001 0.000 0.903 295 L HN 0.523 nan 8.230 nan 0.000 0.435 296 T N -4.738 109.817 114.554 0.003 0.000 3.085 296 T HA 0.283 4.633 4.350 0.000 0.000 0.264 296 T C 1.124 175.829 174.700 0.008 0.000 1.019 296 T CA 0.317 62.419 62.100 0.004 0.000 0.910 296 T CB 0.123 68.998 68.868 0.011 0.000 1.059 296 T HN 0.446 nan 8.240 nan 0.000 0.542 297 G N 0.530 109.335 108.800 0.008 0.000 2.314 297 G HA2 0.106 4.066 3.960 0.000 0.000 0.292 297 G HA3 0.106 4.066 3.960 0.000 0.000 0.292 297 G C 0.295 175.211 174.900 0.028 0.000 1.059 297 G CA -0.146 44.962 45.100 0.014 0.000 0.982 297 G HN 1.067 nan 8.290 nan 0.000 0.505 298 G N -1.520 107.295 108.800 0.026 0.000 2.735 298 G HA2 0.819 4.779 3.960 0.000 0.000 0.301 298 G HA3 0.819 4.779 3.960 0.000 0.000 0.301 298 G C -0.517 174.395 174.900 0.021 0.000 1.279 298 G CA 0.024 45.146 45.100 0.036 0.000 1.019 298 G HN 0.642 nan 8.290 nan 0.000 0.497 299 T N 0.633 115.199 114.554 0.020 0.000 2.786 299 T HA 0.412 4.762 4.350 0.000 0.000 0.283 299 T C 0.184 174.887 174.700 0.005 0.000 0.992 299 T CA -0.275 61.830 62.100 0.009 0.000 0.954 299 T CB 1.507 70.381 68.868 0.009 0.000 0.934 299 T HN 0.401 nan 8.240 nan 0.000 0.440 300 V N 4.807 124.720 119.914 -0.002 0.000 2.617 300 V HA 0.122 4.242 4.120 0.000 0.000 0.304 300 V C 0.430 176.522 176.094 -0.003 0.000 1.040 300 V CA 0.145 62.441 62.300 -0.006 0.000 1.149 300 V CB -0.141 31.673 31.823 -0.014 0.000 0.914 300 V HN 0.779 nan 8.190 nan 0.000 0.487 301 I N 5.406 125.976 120.570 -0.002 0.000 2.412 301 I HA 0.282 4.452 4.170 0.000 0.000 0.279 301 I C 0.288 176.404 176.117 -0.000 0.000 1.063 301 I CA 0.151 61.451 61.300 -0.000 0.000 1.193 301 I CB 0.782 38.782 38.000 0.001 0.000 1.370 301 I HN 0.753 nan 8.210 nan 0.000 0.479 302 S N 2.437 118.135 115.700 -0.002 0.000 2.532 302 S HA 0.405 4.875 4.470 0.000 0.000 0.301 302 S C 0.448 175.048 174.600 -0.001 0.000 1.083 302 S CA -0.883 57.316 58.200 -0.002 0.000 1.025 302 S CB 1.835 65.032 63.200 -0.005 0.000 1.056 302 S HN 0.546 nan 8.310 nan 0.000 0.494 303 E N 0.855 121.055 120.200 0.001 0.000 2.516 303 E HA -0.068 4.282 4.350 0.000 0.000 0.199 303 E C 0.994 177.594 176.600 0.000 0.000 1.069 303 E CA 0.473 56.874 56.400 0.002 0.000 0.876 303 E CB -0.059 29.644 29.700 0.004 0.000 0.843 303 E HN 0.752 nan 8.360 nan 0.000 0.530 304 E N 0.599 120.798 120.200 -0.002 0.000 2.076 304 E HA -0.058 4.292 4.350 0.000 0.000 0.190 304 E C 1.471 178.069 176.600 -0.004 0.000 0.979 304 E CA 0.648 57.046 56.400 -0.003 0.000 0.807 304 E CB 0.100 29.797 29.700 -0.005 0.000 0.761 304 E HN 0.301 nan 8.360 nan 0.000 0.454 305 I N 0.762 121.329 120.570 -0.004 0.000 3.680 305 I HA 0.083 4.253 4.170 0.000 0.000 0.306 305 I C 0.656 176.771 176.117 -0.003 0.000 1.260 305 I CA 0.005 61.302 61.300 -0.004 0.000 1.201 305 I CB -0.437 37.560 38.000 -0.005 0.000 1.009 305 I HN 0.073 nan 8.210 nan 0.000 0.467 306 G N 2.221 111.019 108.800 -0.002 0.000 2.392 306 G HA2 -0.259 3.701 3.960 0.000 0.000 0.290 306 G HA3 -0.259 3.701 3.960 0.000 0.000 0.290 306 G C -0.260 174.639 174.900 -0.001 0.000 1.032 306 G CA -0.020 45.079 45.100 -0.001 0.000 1.269 306 G HN 0.327 nan 8.290 nan 0.000 0.511 307 M N -0.164 119.435 119.600 -0.001 0.000 2.591 307 M HA 0.557 5.038 4.480 0.000 0.000 0.306 307 M C -0.095 176.205 176.300 -0.000 0.000 1.190 307 M CA -0.700 54.599 55.300 -0.001 0.000 0.889 307 M CB 2.346 34.945 32.600 -0.002 0.000 1.728 307 M HN 0.331 nan 8.290 nan 0.000 0.458 308 E N 1.324 121.523 120.200 -0.001 0.000 2.238 308 E HA 0.356 4.706 4.350 0.000 0.000 0.267 308 E C 0.238 176.837 176.600 -0.002 0.000 0.887 308 E CA -0.551 55.849 56.400 -0.000 0.000 0.769 308 E CB 2.538 32.237 29.700 -0.001 0.000 1.187 308 E HN 0.618 nan 8.360 nan 0.000 0.416 309 L N 1.528 122.752 121.223 0.000 0.000 2.013 309 L HA -0.276 4.064 4.340 0.000 0.000 0.212 309 L C 1.842 178.708 176.870 -0.006 0.000 1.073 309 L CA 1.554 56.394 54.840 -0.001 0.000 0.753 309 L CB -0.372 41.689 42.059 0.003 0.000 0.890 309 L HN 0.623 nan 8.230 nan 0.000 0.432 310 E N 0.329 120.526 120.200 -0.005 0.000 2.097 310 E HA -0.195 4.155 4.350 0.000 0.000 0.196 310 E C 0.860 177.453 176.600 -0.011 0.000 1.000 310 E CA 1.240 57.636 56.400 -0.008 0.000 0.804 310 E CB -0.099 29.598 29.700 -0.005 0.000 0.740 310 E HN 0.327 nan 8.360 nan 0.000 0.454 311 K N 0.462 120.857 120.400 -0.009 0.000 2.502 311 K HA 0.411 4.731 4.320 0.000 0.000 0.244 311 K C -1.034 175.558 176.600 -0.013 0.000 1.249 311 K CA -0.166 56.114 56.287 -0.011 0.000 1.193 311 K CB 0.717 33.212 32.500 -0.008 0.000 1.674 311 K HN 0.004 nan 8.250 nan 0.000 0.302 312 A N 1.494 124.303 122.820 -0.019 0.000 2.499 312 A HA 0.268 4.588 4.320 0.000 0.000 0.280 312 A C 0.112 177.674 177.584 -0.038 0.000 1.135 312 A CA -0.835 51.188 52.037 -0.023 0.000 0.744 312 A CB 0.540 19.528 19.000 -0.020 0.000 1.213 312 A HN 0.417 nan 8.150 nan 0.000 0.434 313 T N 0.297 114.828 114.554 -0.038 0.000 2.754 313 T HA 0.406 4.756 4.350 0.000 0.000 0.286 313 T C 1.454 176.104 174.700 -0.084 0.000 0.997 313 T CA -0.417 61.650 62.100 -0.056 0.000 0.982 313 T CB 0.288 69.132 68.868 -0.039 0.000 1.027 313 T HN 0.422 nan 8.240 nan 0.000 0.529 314 L N 0.025 121.168 121.223 -0.135 0.000 2.089 314 L HA -0.189 4.151 4.340 0.000 0.000 0.213 314 L C 3.091 179.906 176.870 -0.091 0.000 1.079 314 L CA 1.937 56.637 54.840 -0.233 0.000 0.758 314 L CB -0.598 41.289 42.059 -0.287 0.000 0.891 314 L HN 0.887 nan 8.230 nan 0.000 0.433 315 E N -0.053 120.133 120.200 -0.024 0.000 2.130 315 E HA -0.265 4.085 4.350 0.000 0.000 0.196 315 E C 1.589 178.213 176.600 0.039 0.000 0.998 315 E CA 1.542 57.959 56.400 0.030 0.000 0.806 315 E CB 0.077 29.786 29.700 0.016 0.000 0.738 315 E HN 0.525 nan 8.360 nan 0.000 0.459 316 D N 0.102 120.511 120.400 0.015 0.000 2.218 316 D HA -0.115 4.525 4.640 0.000 0.000 0.204 316 D C 0.385 176.711 176.300 0.043 0.000 0.976 316 D CA 0.410 54.422 54.000 0.020 0.000 0.853 316 D CB -0.059 40.743 40.800 0.003 0.000 0.939 316 D HN 0.120 nan 8.370 nan 0.000 0.481 317 L N 1.176 122.436 121.223 0.063 0.000 2.453 317 L HA 0.209 4.549 4.340 0.000 0.000 0.272 317 L C 1.445 178.417 176.870 0.170 0.000 1.182 317 L CA 0.134 55.049 54.840 0.125 0.000 0.858 317 L CB 0.586 42.746 42.059 0.169 0.000 1.120 317 L HN -0.133 nan 8.230 nan 0.000 0.474 318 G N 2.315 111.192 108.800 0.128 0.000 2.651 318 G HA2 0.409 4.370 3.960 0.000 0.000 0.260 318 G HA3 0.409 4.370 3.960 0.000 0.000 0.260 318 G C -0.764 174.190 174.900 0.090 0.000 1.216 318 G CA -0.218 44.936 45.100 0.090 0.000 0.913 318 G HN 0.625 nan 8.290 nan 0.000 0.535 319 Q N -1.560 118.242 119.800 0.003 0.000 2.391 319 Q HA 0.600 4.940 4.340 0.000 0.000 0.279 319 Q C -0.902 175.050 176.000 -0.079 0.000 1.028 319 Q CA -0.701 55.041 55.803 -0.102 0.000 0.836 319 Q CB 2.092 30.691 28.738 -0.233 0.000 1.414 319 Q HN 0.980 nan 8.270 nan 0.000 0.397 320 A N 1.898 124.660 122.820 -0.097 0.000 2.552 320 A HA 0.521 4.842 4.320 0.000 0.000 0.288 320 A C -0.666 176.869 177.584 -0.081 0.000 1.193 320 A CA -0.562 51.435 52.037 -0.065 0.000 0.713 320 A CB 1.472 20.454 19.000 -0.030 0.000 1.305 320 A HN 0.771 nan 8.150 nan 0.000 0.424 321 K N -0.786 119.581 120.400 -0.054 0.000 2.314 321 K HA 0.203 4.524 4.320 0.000 0.000 0.198 321 K C 0.218 176.794 176.600 -0.040 0.000 1.045 321 K CA 0.800 57.056 56.287 -0.052 0.000 0.988 321 K CB 0.266 32.743 32.500 -0.038 0.000 0.783 321 K HN 0.498 nan 8.250 nan 0.000 0.484 322 R N -0.160 120.322 120.500 -0.031 0.000 2.664 322 R HA 0.179 4.519 4.340 0.000 0.000 0.260 322 R C -1.875 174.416 176.300 -0.015 0.000 1.062 322 R CA -0.493 55.594 56.100 -0.021 0.000 0.902 322 R CB 2.144 32.435 30.300 -0.016 0.000 1.258 322 R HN -0.046 nan 8.270 nan 0.000 0.465 323 V N -0.066 119.841 119.914 -0.012 0.000 2.876 323 V HA 0.861 4.981 4.120 0.000 0.000 0.312 323 V C -1.454 174.632 176.094 -0.015 0.000 1.085 323 V CA -0.529 61.764 62.300 -0.012 0.000 0.945 323 V CB 2.376 34.194 31.823 -0.008 0.000 1.017 323 V HN 0.419 nan 8.190 nan 0.000 0.428 324 V N 6.152 126.050 119.914 -0.027 0.000 2.482 324 V HA 0.586 4.706 4.120 0.000 0.000 0.295 324 V C -0.375 175.690 176.094 -0.048 0.000 1.026 324 V CA -0.189 62.096 62.300 -0.024 0.000 0.856 324 V CB 1.431 33.241 31.823 -0.023 0.000 1.001 324 V HN 1.083 nan 8.190 nan 0.000 0.424 325 I N 2.861 123.422 120.570 -0.015 0.000 2.533 325 I HA 0.684 4.854 4.170 0.000 0.000 0.290 325 I C -0.707 175.432 176.117 0.037 0.000 1.056 325 I CA -0.378 60.902 61.300 -0.034 0.000 1.057 325 I CB 2.142 40.122 38.000 -0.033 0.000 1.240 325 I HN 0.466 nan 8.210 nan 0.000 0.423 326 N N 5.376 124.035 118.700 -0.068 0.000 2.681 326 N HA 0.230 4.970 4.740 0.000 0.000 0.311 326 N C 0.510 175.788 175.510 -0.387 0.000 1.303 326 N CA -0.753 52.258 53.050 -0.065 0.000 0.926 326 N CB 0.757 39.200 38.487 -0.072 0.000 1.136 326 N HN 0.670 nan 8.380 nan 0.000 0.592 327 K N 0.250 120.448 120.400 -0.336 0.000 2.152 327 K HA -0.171 4.149 4.320 0.000 0.000 0.206 327 K C -0.532 175.806 176.600 -0.437 0.000 1.048 327 K CA 2.011 57.992 56.287 -0.509 0.000 0.933 327 K CB -0.060 32.349 32.500 -0.151 0.000 0.721 327 K HN 0.577 nan 8.250 nan 0.000 0.447 328 D N -1.169 119.063 120.400 -0.280 0.000 2.822 328 D HA 0.109 4.749 4.640 0.000 0.000 0.327 328 D C -1.142 175.047 176.300 -0.185 0.000 1.577 328 D CA -0.409 53.467 54.000 -0.206 0.000 0.785 328 D CB 1.127 41.850 40.800 -0.128 0.000 1.199 328 D HN -0.159 nan 8.370 nan 0.000 0.443 329 T N 0.267 114.685 114.554 -0.227 0.000 3.355 329 T HA 0.340 4.690 4.350 0.000 0.000 0.324 329 T C -0.674 173.841 174.700 -0.308 0.000 0.932 329 T CA -0.406 61.548 62.100 -0.243 0.000 1.032 329 T CB 1.553 70.326 68.868 -0.159 0.000 1.027 329 T HN -0.087 nan 8.240 nan 0.000 0.456 330 T N 2.732 116.967 114.554 -0.532 0.000 2.909 330 T HA 0.671 5.021 4.350 0.000 0.000 0.286 330 T C 0.105 174.494 174.700 -0.519 0.000 1.002 330 T CA -0.366 61.391 62.100 -0.573 0.000 1.074 330 T CB 1.374 69.744 68.868 -0.830 0.000 0.984 330 T HN 0.577 nan 8.240 nan 0.000 0.495 331 T N 2.604 117.008 114.554 -0.250 0.000 3.071 331 T HA 0.554 4.904 4.350 0.000 0.000 0.311 331 T C -1.072 173.612 174.700 -0.026 0.000 1.042 331 T CA -0.667 61.367 62.100 -0.109 0.000 1.028 331 T CB 0.271 69.092 68.868 -0.078 0.000 1.068 331 T HN 0.437 nan 8.240 nan 0.000 0.451 332 I N 5.634 126.226 120.570 0.038 0.000 2.331 332 I HA 0.461 4.631 4.170 0.000 0.000 0.292 332 I C -0.076 176.055 176.117 0.023 0.000 0.998 332 I CA -0.713 60.612 61.300 0.042 0.000 1.267 332 I CB 1.358 39.407 38.000 0.081 0.000 1.386 332 I HN 0.563 nan 8.210 nan 0.000 0.476 333 I N 5.938 126.512 120.570 0.006 0.000 2.312 333 I HA 0.199 4.369 4.170 0.000 0.000 0.290 333 I C -0.536 175.578 176.117 -0.005 0.000 1.008 333 I CA -0.226 61.074 61.300 -0.000 0.000 1.226 333 I CB 0.817 38.813 38.000 -0.007 0.000 1.371 333 I HN 0.608 nan 8.210 nan 0.000 0.468 334 D N 4.845 125.244 120.400 -0.003 0.000 4.353 334 D HA -0.111 4.529 4.640 0.000 0.000 0.242 334 D C 0.098 176.391 176.300 -0.013 0.000 1.063 334 D CA 0.969 54.964 54.000 -0.008 0.000 1.224 334 D CB -0.002 40.790 40.800 -0.013 0.000 0.831 334 D HN 0.765 nan 8.370 nan 0.000 0.405 335 G N 1.084 109.879 108.800 -0.008 0.000 2.448 335 G HA2 0.408 4.368 3.960 0.000 0.000 0.285 335 G HA3 0.408 4.368 3.960 0.000 0.000 0.285 335 G C 1.355 176.245 174.900 -0.017 0.000 1.176 335 G CA -0.498 44.595 45.100 -0.012 0.000 0.852 335 G HN 0.379 nan 8.290 nan 0.000 0.530 336 V N 1.801 121.701 119.914 -0.024 0.000 2.809 336 V HA 0.002 4.122 4.120 0.000 0.000 0.256 336 V C 2.186 178.273 176.094 -0.013 0.000 1.080 336 V CA 1.141 63.426 62.300 -0.025 0.000 1.102 336 V CB -1.010 30.791 31.823 -0.036 0.000 0.705 336 V HN 0.834 nan 8.190 nan 0.000 0.475 337 G N 1.320 110.115 108.800 -0.008 0.000 2.150 337 G HA2 -0.013 3.947 3.960 0.000 0.000 0.250 337 G HA3 -0.013 3.947 3.960 0.000 0.000 0.250 337 G C -0.042 174.855 174.900 -0.005 0.000 1.179 337 G CA -0.124 44.974 45.100 -0.004 0.000 0.934 337 G HN 0.573 nan 8.290 nan 0.000 0.453 338 E N 2.124 122.322 120.200 -0.004 0.000 2.413 338 E HA 0.015 4.365 4.350 0.000 0.000 0.263 338 E C 0.830 177.428 176.600 -0.004 0.000 1.015 338 E CA 0.100 56.498 56.400 -0.004 0.000 0.916 338 E CB 1.105 30.804 29.700 -0.002 0.000 0.947 338 E HN 0.689 nan 8.360 nan 0.000 0.440 339 E N 1.770 121.968 120.200 -0.004 0.000 2.409 339 E HA -0.183 4.167 4.350 0.000 0.000 0.198 339 E C 1.635 178.233 176.600 -0.004 0.000 1.024 339 E CA 0.600 56.997 56.400 -0.005 0.000 0.861 339 E CB -0.005 29.692 29.700 -0.005 0.000 0.788 339 E HN 0.585 nan 8.360 nan 0.000 0.521 340 A N 1.711 124.529 122.820 -0.004 0.000 1.858 340 A HA -0.150 4.170 4.320 0.000 0.000 0.216 340 A C 2.416 179.998 177.584 -0.004 0.000 1.190 340 A CA 1.802 53.837 52.037 -0.004 0.000 0.617 340 A CB -0.672 18.326 19.000 -0.003 0.000 0.827 340 A HN 0.326 nan 8.150 nan 0.000 0.443 341 A N -0.502 122.316 122.820 -0.004 0.000 1.929 341 A HA 0.067 4.387 4.320 0.000 0.000 0.216 341 A C 2.119 179.699 177.584 -0.007 0.000 1.176 341 A CA 1.208 53.242 52.037 -0.005 0.000 0.628 341 A CB -0.536 18.462 19.000 -0.004 0.000 0.816 341 A HN 0.487 nan 8.150 nan 0.000 0.444 342 I N -0.821 119.745 120.570 -0.006 0.000 2.099 342 I HA -0.295 3.875 4.170 0.000 0.000 0.239 342 I C 2.765 178.878 176.117 -0.008 0.000 1.066 342 I CA 1.850 63.145 61.300 -0.008 0.000 1.324 342 I CB -0.372 37.624 38.000 -0.006 0.000 1.037 342 I HN 0.322 nan 8.210 nan 0.000 0.401 343 Q N 1.244 121.039 119.800 -0.007 0.000 2.152 343 Q HA -0.157 4.183 4.340 0.000 0.000 0.206 343 Q C 1.997 177.992 176.000 -0.008 0.000 0.985 343 Q CA 2.123 57.922 55.803 -0.007 0.000 0.863 343 Q CB -0.831 27.904 28.738 -0.006 0.000 0.904 343 Q HN 0.542 nan 8.270 nan 0.000 0.422 344 G N -0.165 108.630 108.800 -0.008 0.000 2.434 344 G HA2 -0.308 3.652 3.960 0.000 0.000 0.214 344 G HA3 -0.308 3.652 3.960 0.000 0.000 0.214 344 G C 1.513 176.406 174.900 -0.011 0.000 1.202 344 G CA 0.840 45.935 45.100 -0.008 0.000 0.788 344 G HN 0.372 nan 8.290 nan 0.000 0.539 345 R N 0.313 120.806 120.500 -0.012 0.000 2.159 345 R HA -0.021 4.319 4.340 0.000 0.000 0.237 345 R C 2.406 178.695 176.300 -0.017 0.000 1.131 345 R CA 1.470 57.560 56.100 -0.015 0.000 0.982 345 R CB -0.820 29.470 30.300 -0.017 0.000 0.868 345 R HN 0.258 nan 8.270 nan 0.000 0.453 346 V N 0.306 120.211 119.914 -0.015 0.000 2.453 346 V HA -0.070 4.050 4.120 0.000 0.000 0.247 346 V C 2.197 178.283 176.094 -0.014 0.000 1.048 346 V CA 1.661 63.953 62.300 -0.015 0.000 1.049 346 V CB -0.677 31.138 31.823 -0.012 0.000 0.672 346 V HN 0.507 nan 8.190 nan 0.000 0.457 347 A N -1.083 121.729 122.820 -0.012 0.000 2.168 347 A HA -0.166 4.154 4.320 0.000 0.000 0.215 347 A C 2.139 179.716 177.584 -0.012 0.000 1.152 347 A CA 1.206 53.236 52.037 -0.011 0.000 0.716 347 A CB -0.254 18.741 19.000 -0.009 0.000 0.794 347 A HN 0.634 nan 8.150 nan 0.000 0.465 348 Q N -0.595 119.197 119.800 -0.014 0.000 2.107 348 Q HA 0.111 4.452 4.340 0.000 0.000 0.195 348 Q C 1.644 177.633 176.000 -0.018 0.000 0.964 348 Q CA 1.075 56.869 55.803 -0.015 0.000 0.833 348 Q CB -0.160 28.568 28.738 -0.017 0.000 0.910 348 Q HN 0.711 nan 8.270 nan 0.000 0.465 349 I N 0.809 121.366 120.570 -0.021 0.000 3.083 349 I HA -0.167 4.004 4.170 0.000 0.000 0.273 349 I C 2.245 178.348 176.117 -0.023 0.000 1.297 349 I CA 0.392 61.676 61.300 -0.025 0.000 1.452 349 I CB -0.142 37.840 38.000 -0.030 0.000 1.078 349 I HN 0.092 nan 8.210 nan 0.000 0.484 350 R N 1.626 122.115 120.500 -0.018 0.000 2.073 350 R HA -0.184 4.156 4.340 0.000 0.000 0.234 350 R C 2.007 178.298 176.300 -0.014 0.000 1.134 350 R CA 1.743 57.834 56.100 -0.015 0.000 0.952 350 R CB -0.104 30.189 30.300 -0.012 0.000 0.850 350 R HN 0.400 nan 8.270 nan 0.000 0.433 351 Q N -0.660 119.132 119.800 -0.013 0.000 2.392 351 Q HA 0.040 4.380 4.340 0.000 0.000 0.203 351 Q C 1.688 177.679 176.000 -0.014 0.000 0.917 351 Q CA 0.149 55.945 55.803 -0.012 0.000 0.939 351 Q CB 0.546 29.278 28.738 -0.010 0.000 1.063 351 Q HN 0.359 nan 8.270 nan 0.000 0.516 352 Q N 0.499 120.288 119.800 -0.018 0.000 2.124 352 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 352 Q C 1.996 177.983 176.000 -0.022 0.000 0.977 352 Q CA 1.215 57.004 55.803 -0.022 0.000 0.850 352 Q CB -0.031 28.689 28.738 -0.030 0.000 0.901 352 Q HN 0.511 nan 8.270 nan 0.000 0.429 353 I N 0.968 121.525 120.570 -0.021 0.000 2.353 353 I HA -0.193 3.977 4.170 0.000 0.000 0.248 353 I C 2.086 178.197 176.117 -0.011 0.000 1.119 353 I CA 0.712 62.001 61.300 -0.019 0.000 1.417 353 I CB -0.311 37.677 38.000 -0.019 0.000 1.078 353 I HN 0.030 nan 8.210 nan 0.000 0.421 354 E N 1.622 121.817 120.200 -0.009 0.000 2.085 354 E HA -0.215 4.135 4.350 0.000 0.000 0.194 354 E C 1.427 178.026 176.600 -0.002 0.000 0.994 354 E CA 1.410 57.808 56.400 -0.004 0.000 0.801 354 E CB -0.298 29.400 29.700 -0.004 0.000 0.743 354 E HN 0.658 nan 8.360 nan 0.000 0.453 355 E N 0.157 120.354 120.200 -0.005 0.000 2.501 355 E HA 0.305 4.655 4.350 0.000 0.000 0.200 355 E C -0.060 176.538 176.600 -0.003 0.000 1.016 355 E CA -0.065 56.333 56.400 -0.003 0.000 0.921 355 E CB 0.795 30.492 29.700 -0.004 0.000 1.034 355 E HN 0.039 nan 8.360 nan 0.000 0.468 356 A N 1.898 124.715 122.820 -0.005 0.000 2.655 356 A HA 0.074 4.394 4.320 0.000 0.000 0.297 356 A C 1.327 178.914 177.584 0.006 0.000 1.461 356 A CA -0.191 51.844 52.037 -0.004 0.000 1.146 356 A CB -0.592 18.400 19.000 -0.014 0.000 1.108 356 A HN 0.255 nan 8.150 nan 0.000 0.550 357 T N -0.313 114.247 114.554 0.010 0.000 3.163 357 T HA 0.133 4.483 4.350 0.000 0.000 0.260 357 T C 0.829 175.543 174.700 0.024 0.000 1.156 357 T CA 0.856 62.965 62.100 0.016 0.000 1.072 357 T CB -0.172 68.704 68.868 0.014 0.000 0.937 357 T HN 0.412 nan 8.240 nan 0.000 0.528 358 S N -0.654 115.064 115.700 0.030 0.000 2.751 358 S HA 0.423 4.893 4.470 0.000 0.000 0.310 358 S C 0.198 174.828 174.600 0.050 0.000 1.128 358 S CA -0.750 57.478 58.200 0.047 0.000 0.931 358 S CB 1.790 65.033 63.200 0.071 0.000 1.177 358 S HN 0.143 nan 8.310 nan 0.000 0.530 359 D N -0.197 120.247 120.400 0.073 0.000 2.323 359 D HA 0.048 4.688 4.640 0.000 0.000 0.218 359 D C 1.248 177.606 176.300 0.097 0.000 0.973 359 D CA 0.746 54.790 54.000 0.074 0.000 0.890 359 D CB -0.074 40.771 40.800 0.076 0.000 1.011 359 D HN 0.591 nan 8.370 nan 0.000 0.499 360 Y N 1.914 122.219 120.300 0.010 0.000 2.314 360 Y HA -0.090 4.460 4.550 0.000 0.000 0.293 360 Y C 0.981 176.882 175.900 0.002 0.000 1.129 360 Y CA 1.398 59.503 58.100 0.009 0.000 1.201 360 Y CB 0.011 38.477 38.460 0.011 0.000 0.999 360 Y HN -0.196 nan 8.280 nan 0.000 0.541 361 D N -0.277 120.106 120.400 -0.028 0.000 2.392 361 D HA -0.045 4.595 4.640 0.000 0.000 0.228 361 D C 1.898 178.131 176.300 -0.113 0.000 1.003 361 D CA 0.520 54.461 54.000 -0.099 0.000 0.917 361 D CB 0.004 40.808 40.800 0.006 0.000 0.890 361 D HN 0.336 nan 8.370 nan 0.000 0.532 362 R N 0.124 120.564 120.500 -0.102 0.000 2.164 362 R HA 0.003 4.343 4.340 0.000 0.000 0.198 362 R C 1.489 177.735 176.300 -0.091 0.000 1.028 362 R CA 0.214 56.273 56.100 -0.068 0.000 1.083 362 R CB 0.401 30.686 30.300 -0.025 0.000 1.026 362 R HN -0.010 nan 8.270 nan 0.000 0.514 363 E N 1.565 121.692 120.200 -0.123 0.000 2.023 363 E HA -0.220 4.130 4.350 0.000 0.000 0.196 363 E C 1.658 178.177 176.600 -0.135 0.000 1.003 363 E CA 1.161 57.491 56.400 -0.117 0.000 0.809 363 E CB -0.149 29.479 29.700 -0.121 0.000 0.755 363 E HN 0.199 nan 8.360 nan 0.000 0.449 364 K N 0.910 121.179 120.400 -0.217 0.000 2.063 364 K HA -0.067 4.253 4.320 0.000 0.000 0.208 364 K C 2.537 179.066 176.600 -0.117 0.000 1.048 364 K CA 0.730 56.909 56.287 -0.180 0.000 0.928 364 K CB -0.649 31.701 32.500 -0.250 0.000 0.713 364 K HN 0.193 nan 8.250 nan 0.000 0.442 365 L N 1.163 122.318 121.223 -0.112 0.000 2.017 365 L HA -0.219 4.121 4.340 0.000 0.000 0.208 365 L C 2.675 179.510 176.870 -0.058 0.000 1.073 365 L CA 1.386 56.179 54.840 -0.077 0.000 0.745 365 L CB -0.534 41.485 42.059 -0.068 0.000 0.894 365 L HN 0.226 nan 8.230 nan 0.000 0.432 366 Q N -0.275 119.491 119.800 -0.056 0.000 2.124 366 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 366 Q C 2.116 178.093 176.000 -0.038 0.000 0.977 366 Q CA 1.410 57.188 55.803 -0.042 0.000 0.850 366 Q CB -0.087 28.628 28.738 -0.039 0.000 0.901 366 Q HN 0.515 nan 8.270 nan 0.000 0.429 367 E N 0.622 120.795 120.200 -0.045 0.000 2.023 367 E HA -0.201 4.149 4.350 0.000 0.000 0.196 367 E C 2.081 178.665 176.600 -0.027 0.000 1.003 367 E CA 0.998 57.379 56.400 -0.032 0.000 0.809 367 E CB -0.029 29.650 29.700 -0.035 0.000 0.755 367 E HN 0.251 nan 8.360 nan 0.000 0.449 368 R N 0.382 120.860 120.500 -0.037 0.000 2.103 368 R HA -0.172 4.169 4.340 0.000 0.000 0.242 368 R C 2.701 178.984 176.300 -0.027 0.000 1.142 368 R CA 1.650 57.729 56.100 -0.035 0.000 0.960 368 R CB -0.817 29.454 30.300 -0.049 0.000 0.858 368 R HN 0.247 nan 8.270 nan 0.000 0.439 369 V N -1.213 118.684 119.914 -0.028 0.000 2.380 369 V HA -0.210 3.910 4.120 0.000 0.000 0.251 369 V C 2.178 178.263 176.094 -0.016 0.000 1.063 369 V CA 2.024 64.311 62.300 -0.022 0.000 1.055 369 V CB -0.902 30.908 31.823 -0.023 0.000 0.657 369 V HN 0.304 nan 8.190 nan 0.000 0.455 370 A N 0.173 122.984 122.820 -0.014 0.000 1.929 370 A HA -0.054 4.267 4.320 0.000 0.000 0.216 370 A C 2.289 179.872 177.584 -0.002 0.000 1.176 370 A CA 1.649 53.681 52.037 -0.009 0.000 0.628 370 A CB -0.518 18.477 19.000 -0.010 0.000 0.816 370 A HN 0.607 nan 8.150 nan 0.000 0.444 371 K N -0.671 119.729 120.400 0.001 0.000 2.283 371 K HA 0.078 4.398 4.320 0.000 0.000 0.202 371 K C 1.384 177.990 176.600 0.009 0.000 1.048 371 K CA 0.922 57.217 56.287 0.013 0.000 0.948 371 K CB -0.151 32.362 32.500 0.022 0.000 0.742 371 K HN 0.463 nan 8.250 nan 0.000 0.458 372 L N -1.077 120.144 121.223 -0.002 0.000 2.425 372 L HA 0.132 4.473 4.340 0.000 0.000 0.215 372 L C 1.915 178.782 176.870 -0.004 0.000 1.065 372 L CA 0.275 55.112 54.840 -0.005 0.000 0.842 372 L CB 0.051 42.103 42.059 -0.013 0.000 1.033 372 L HN 0.065 nan 8.230 nan 0.000 0.474 373 A N -0.045 122.772 122.820 -0.006 0.000 2.265 373 A HA 0.499 4.819 4.320 0.000 0.000 0.226 373 A C 1.636 179.218 177.584 -0.004 0.000 1.937 373 A CA 0.724 52.757 52.037 -0.006 0.000 0.771 373 A CB -1.205 17.790 19.000 -0.008 0.000 1.421 373 A HN 0.222 nan 8.150 nan 0.000 0.570 374 G N -1.192 107.606 108.800 -0.005 0.000 3.311 374 G HA2 0.463 4.423 3.960 0.000 0.000 0.169 374 G HA3 0.463 4.423 3.960 0.000 0.000 0.169 374 G C 0.400 175.299 174.900 -0.002 0.000 1.852 374 G CA 0.361 45.459 45.100 -0.004 0.000 1.010 374 G HN 1.222 nan 8.290 nan 0.000 0.530 375 G N -2.318 106.481 108.800 -0.003 0.000 2.725 375 G HA2 0.516 4.476 3.960 0.000 0.000 0.288 375 G HA3 0.516 4.476 3.960 0.000 0.000 0.288 375 G C -1.875 173.024 174.900 -0.002 0.000 1.399 375 G CA -0.345 44.755 45.100 -0.001 0.000 0.859 375 G HN 0.648 nan 8.290 nan 0.000 0.479 376 V N 0.219 120.133 119.914 0.000 0.000 2.459 376 V HA 0.756 4.876 4.120 0.000 0.000 0.295 376 V C 0.296 176.389 176.094 -0.003 0.000 1.029 376 V CA -0.546 61.754 62.300 -0.001 0.000 0.874 376 V CB 1.116 32.942 31.823 0.005 0.000 0.985 376 V HN 1.178 nan 8.190 nan 0.000 0.438 377 A N 4.390 127.206 122.820 -0.007 0.000 2.365 377 A HA 0.901 5.221 4.320 0.000 0.000 0.318 377 A C -1.018 176.561 177.584 -0.008 0.000 1.091 377 A CA -0.583 51.450 52.037 -0.007 0.000 0.763 377 A CB 1.838 20.833 19.000 -0.009 0.000 1.248 377 A HN 0.639 nan 8.150 nan 0.000 0.442 378 V N 3.316 123.227 119.914 -0.006 0.000 2.540 378 V HA 0.418 4.538 4.120 0.000 0.000 0.302 378 V C -0.391 175.701 176.094 -0.004 0.000 1.035 378 V CA -0.259 62.038 62.300 -0.004 0.000 0.873 378 V CB 1.578 33.400 31.823 -0.002 0.000 0.992 378 V HN 0.801 nan 8.190 nan 0.000 0.428 379 I N 4.514 125.082 120.570 -0.003 0.000 2.392 379 I HA 0.434 4.604 4.170 0.000 0.000 0.295 379 I C -0.084 176.034 176.117 0.002 0.000 0.985 379 I CA -0.501 60.798 61.300 -0.001 0.000 1.221 379 I CB 1.560 39.559 38.000 -0.001 0.000 1.366 379 I HN 0.519 nan 8.210 nan 0.000 0.467 380 K N 5.793 126.194 120.400 0.002 0.000 2.339 380 K HA 0.469 4.789 4.320 0.000 0.000 0.264 380 K C -1.115 175.488 176.600 0.005 0.000 0.986 380 K CA -0.678 55.611 56.287 0.004 0.000 0.866 380 K CB 1.844 34.345 32.500 0.002 0.000 1.103 380 K HN 0.269 nan 8.250 nan 0.000 0.441 381 V N 2.200 122.118 119.914 0.007 0.000 2.488 381 V HA 0.292 4.412 4.120 0.000 0.000 0.277 381 V C 0.846 176.944 176.094 0.007 0.000 1.046 381 V CA -0.784 61.520 62.300 0.008 0.000 0.986 381 V CB 0.932 32.761 31.823 0.011 0.000 0.989 381 V HN 0.882 nan 8.190 nan 0.000 0.475 382 G N 2.914 111.717 108.800 0.005 0.000 2.389 382 G HA2 0.747 4.707 3.960 0.000 0.000 0.317 382 G HA3 0.747 4.707 3.960 0.000 0.000 0.317 382 G C -0.482 174.421 174.900 0.005 0.000 1.137 382 G CA 0.004 45.107 45.100 0.004 0.000 0.870 382 G HN 1.321 nan 8.290 nan 0.000 0.496 383 A N 0.089 122.912 122.820 0.004 0.000 2.594 383 A HA 0.748 5.068 4.320 0.000 0.000 0.296 383 A C 0.658 178.244 177.584 0.004 0.000 1.061 383 A CA 0.308 52.348 52.037 0.004 0.000 0.689 383 A CB 0.884 19.887 19.000 0.006 0.000 1.280 383 A HN 1.742 nan 8.150 nan 0.000 0.406 384 A N 0.603 123.425 122.820 0.003 0.000 1.872 384 A HA 0.347 4.667 4.320 0.000 0.000 0.214 384 A C 1.424 179.009 177.584 0.003 0.000 1.187 384 A CA 2.415 54.454 52.037 0.002 0.000 0.614 384 A CB -0.724 18.276 19.000 0.001 0.000 0.826 384 A HN 1.830 nan 8.150 nan 0.000 0.442 385 T N -4.368 110.188 114.554 0.003 0.000 2.919 385 T HA 0.514 4.864 4.350 0.000 0.000 0.282 385 T C 0.584 175.288 174.700 0.006 0.000 1.020 385 T CA -0.110 61.992 62.100 0.004 0.000 0.994 385 T CB 1.714 70.583 68.868 0.002 0.000 1.180 385 T HN 0.223 nan 8.240 nan 0.000 0.566 386 E N -0.406 119.798 120.200 0.007 0.000 2.122 386 E HA -0.028 4.322 4.350 0.000 0.000 0.190 386 E C 2.204 178.810 176.600 0.010 0.000 0.977 386 E CA 0.643 57.050 56.400 0.010 0.000 0.820 386 E CB -0.101 29.607 29.700 0.013 0.000 0.770 386 E HN 0.558 nan 8.360 nan 0.000 0.462 387 V N 0.641 120.558 119.914 0.006 0.000 2.469 387 V HA -0.239 3.881 4.120 0.000 0.000 0.251 387 V C 2.132 178.228 176.094 0.003 0.000 1.064 387 V CA 1.858 64.159 62.300 0.002 0.000 1.066 387 V CB -0.582 31.239 31.823 -0.003 0.000 0.667 387 V HN 0.209 nan 8.190 nan 0.000 0.461 388 E N -0.373 119.829 120.200 0.004 0.000 2.060 388 E HA -0.139 4.211 4.350 0.000 0.000 0.189 388 E C 2.113 178.718 176.600 0.007 0.000 0.974 388 E CA 1.119 57.522 56.400 0.004 0.000 0.808 388 E CB -0.067 29.634 29.700 0.003 0.000 0.768 388 E HN 0.502 nan 8.360 nan 0.000 0.453 389 M N 1.650 121.255 119.600 0.009 0.000 2.073 389 M HA -0.214 4.266 4.480 0.000 0.000 0.258 389 M C 1.901 178.209 176.300 0.014 0.000 1.070 389 M CA 1.762 57.069 55.300 0.011 0.000 1.103 389 M CB -0.188 32.420 32.600 0.012 0.000 1.321 389 M HN -0.123 nan 8.290 nan 0.000 0.405 390 K N -0.362 120.048 120.400 0.016 0.000 2.000 390 K HA -0.294 4.026 4.320 0.000 0.000 0.218 390 K C 1.983 178.593 176.600 0.017 0.000 1.053 390 K CA 2.385 58.684 56.287 0.019 0.000 0.946 390 K CB -0.572 31.940 32.500 0.020 0.000 0.723 390 K HN 0.545 nan 8.250 nan 0.000 0.446 391 E N 1.495 121.702 120.200 0.012 0.000 2.023 391 E HA -0.259 4.091 4.350 0.000 0.000 0.196 391 E C 1.935 178.542 176.600 0.012 0.000 1.003 391 E CA 2.100 58.506 56.400 0.010 0.000 0.809 391 E CB -0.181 29.522 29.700 0.005 0.000 0.755 391 E HN 0.119 nan 8.360 nan 0.000 0.449 392 K N 0.828 121.234 120.400 0.011 0.000 2.063 392 K HA -0.196 4.124 4.320 0.000 0.000 0.208 392 K C 2.197 178.807 176.600 0.016 0.000 1.048 392 K CA 2.046 58.340 56.287 0.012 0.000 0.928 392 K CB -0.272 32.233 32.500 0.009 0.000 0.713 392 K HN 0.158 nan 8.250 nan 0.000 0.442 393 K N -0.405 120.007 120.400 0.018 0.000 2.032 393 K HA -0.144 4.176 4.320 0.000 0.000 0.209 393 K C 2.000 178.618 176.600 0.031 0.000 1.048 393 K CA 1.406 57.707 56.287 0.023 0.000 0.927 393 K CB -0.357 32.157 32.500 0.024 0.000 0.712 393 K HN 0.254 nan 8.250 nan 0.000 0.441 394 A N 1.438 124.276 122.820 0.030 0.000 1.892 394 A HA -0.226 4.095 4.320 0.000 0.000 0.218 394 A C 2.125 179.731 177.584 0.036 0.000 1.188 394 A CA 1.784 53.841 52.037 0.034 0.000 0.631 394 A CB -0.573 18.442 19.000 0.024 0.000 0.822 394 A HN 0.342 nan 8.150 nan 0.000 0.447 395 R N -0.764 119.753 120.500 0.028 0.000 2.080 395 R HA -0.115 4.225 4.340 0.000 0.000 0.236 395 R C 2.094 178.417 176.300 0.038 0.000 1.137 395 R CA 1.675 57.792 56.100 0.028 0.000 0.943 395 R CB -0.726 29.586 30.300 0.019 0.000 0.846 395 R HN 0.407 nan 8.270 nan 0.000 0.431 396 V N 1.517 121.450 119.914 0.033 0.000 2.324 396 V HA -0.285 3.835 4.120 0.000 0.000 0.250 396 V C 2.283 178.408 176.094 0.050 0.000 1.060 396 V CA 1.834 64.153 62.300 0.033 0.000 1.042 396 V CB -0.559 31.278 31.823 0.022 0.000 0.650 396 V HN 0.339 nan 8.190 nan 0.000 0.450 397 E N 0.138 120.379 120.200 0.067 0.000 2.033 397 E HA -0.304 4.046 4.350 0.000 0.000 0.199 397 E C 2.032 178.775 176.600 0.238 0.000 1.011 397 E CA 2.032 58.503 56.400 0.119 0.000 0.815 397 E CB -0.480 29.292 29.700 0.120 0.000 0.755 397 E HN 0.710 nan 8.360 nan 0.000 0.451 398 D N -0.075 120.425 120.400 0.167 0.000 2.160 398 D HA -0.219 4.422 4.640 0.000 0.000 0.189 398 D C 1.815 178.201 176.300 0.142 0.000 1.003 398 D CA 2.355 56.432 54.000 0.129 0.000 0.846 398 D CB -0.089 40.744 40.800 0.054 0.000 0.949 398 D HN 0.221 nan 8.370 nan 0.000 0.446 399 A N 0.041 122.916 122.820 0.092 0.000 1.897 399 A HA -0.082 4.238 4.320 0.000 0.000 0.215 399 A C 2.162 179.785 177.584 0.064 0.000 1.181 399 A CA 0.644 52.721 52.037 0.066 0.000 0.620 399 A CB -0.700 18.323 19.000 0.039 0.000 0.821 399 A HN 0.366 nan 8.150 nan 0.000 0.443 400 L N -0.343 120.910 121.223 0.049 0.000 2.051 400 L HA -0.282 4.058 4.340 0.000 0.000 0.214 400 L C 2.305 179.156 176.870 -0.032 0.000 1.076 400 L CA 2.737 57.567 54.840 -0.016 0.000 0.758 400 L CB -1.235 40.784 42.059 -0.066 0.000 0.890 400 L HN 0.581 nan 8.230 nan 0.000 0.433 401 H N -0.967 118.111 119.070 0.012 0.000 2.326 401 H HA -0.037 4.519 4.556 0.000 0.000 0.301 401 H C 2.195 177.533 175.328 0.015 0.000 1.081 401 H CA 1.651 57.708 56.048 0.015 0.000 1.334 401 H CB -0.060 29.712 29.762 0.017 0.000 1.385 401 H HN 0.461 nan 8.280 nan 0.000 0.504 402 A N 0.289 123.201 122.820 0.154 0.000 1.902 402 A HA -0.231 4.089 4.320 0.000 0.000 0.217 402 A C 2.513 180.131 177.584 0.056 0.000 1.181 402 A CA 2.235 54.325 52.037 0.089 0.000 0.623 402 A CB -1.224 17.815 19.000 0.064 0.000 0.818 402 A HN 0.632 nan 8.150 nan 0.000 0.443 403 T N -1.514 113.065 114.554 0.041 0.000 2.622 403 T HA -0.237 4.113 4.350 0.000 0.000 0.266 403 T C 1.893 176.604 174.700 0.019 0.000 1.047 403 T CA 1.339 63.452 62.100 0.022 0.000 1.159 403 T CB -0.559 68.316 68.868 0.011 0.000 0.863 403 T HN 0.462 nan 8.240 nan 0.000 0.422 404 R N 1.691 122.199 120.500 0.013 0.000 2.211 404 R HA 0.007 4.347 4.340 0.000 0.000 0.240 404 R C 2.703 179.019 176.300 0.025 0.000 1.144 404 R CA 1.361 57.465 56.100 0.008 0.000 0.992 404 R CB -0.918 29.374 30.300 -0.013 0.000 0.869 404 R HN 0.670 nan 8.270 nan 0.000 0.462 405 A N 0.747 123.592 122.820 0.042 0.000 1.943 405 A HA 0.166 4.486 4.320 0.000 0.000 0.213 405 A C 2.357 179.960 177.584 0.031 0.000 1.181 405 A CA 0.918 52.982 52.037 0.045 0.000 0.653 405 A CB -0.261 18.774 19.000 0.059 0.000 0.833 405 A HN 0.290 nan 8.150 nan 0.000 0.451 406 A N -0.375 122.462 122.820 0.028 0.000 1.902 406 A HA -0.032 4.288 4.320 0.000 0.000 0.217 406 A C 2.183 179.777 177.584 0.016 0.000 1.181 406 A CA 1.873 53.922 52.037 0.021 0.000 0.623 406 A CB -0.837 18.175 19.000 0.019 0.000 0.818 406 A HN 0.354 nan 8.150 nan 0.000 0.443 407 V N 0.862 120.785 119.914 0.014 0.000 2.453 407 V HA -0.224 3.896 4.120 0.000 0.000 0.247 407 V C 2.502 178.602 176.094 0.010 0.000 1.048 407 V CA 2.224 64.530 62.300 0.010 0.000 1.049 407 V CB -0.686 31.141 31.823 0.006 0.000 0.672 407 V HN 0.924 nan 8.190 nan 0.000 0.457 408 E N -0.308 119.900 120.200 0.013 0.000 2.318 408 E HA -0.122 4.228 4.350 0.000 0.000 0.193 408 E C 1.784 178.392 176.600 0.013 0.000 0.998 408 E CA 1.030 57.438 56.400 0.013 0.000 0.859 408 E CB 0.074 29.783 29.700 0.015 0.000 0.812 408 E HN 0.637 nan 8.360 nan 0.000 0.492 409 E N 0.130 120.339 120.200 0.015 0.000 2.571 409 E HA 0.226 4.576 4.350 0.000 0.000 0.222 409 E C 0.239 176.846 176.600 0.012 0.000 0.904 409 E CA 0.400 56.808 56.400 0.013 0.000 1.157 409 E CB 1.165 30.874 29.700 0.016 0.000 1.158 409 E HN 0.332 nan 8.360 nan 0.000 0.540 410 G N 0.180 108.987 108.800 0.013 0.000 2.631 410 G HA2 -0.130 3.830 3.960 0.000 0.000 0.504 410 G HA3 -0.130 3.830 3.960 0.000 0.000 0.504 410 G C -0.637 174.271 174.900 0.014 0.000 1.306 410 G CA -0.563 44.544 45.100 0.012 0.000 0.897 410 G HN 0.639 nan 8.290 nan 0.000 0.520 411 V N -2.783 117.139 119.914 0.013 0.000 3.040 411 V HA 0.993 5.113 4.120 0.000 0.000 0.312 411 V C 0.570 176.673 176.094 0.015 0.000 1.115 411 V CA -0.019 62.290 62.300 0.015 0.000 0.998 411 V CB 1.143 32.975 31.823 0.014 0.000 1.042 411 V HN 2.495 nan 8.190 nan 0.000 0.433 412 V N -1.196 118.728 119.914 0.016 0.000 3.182 412 V HA 1.019 5.139 4.120 0.000 0.000 0.308 412 V C 0.270 176.375 176.094 0.020 0.000 1.240 412 V CA -0.702 61.609 62.300 0.018 0.000 1.063 412 V CB 1.435 33.269 31.823 0.017 0.000 1.076 412 V HN 2.039 nan 8.190 nan 0.000 0.446 413 A N 0.927 123.761 122.820 0.024 0.000 2.451 413 A HA 0.701 5.021 4.320 0.000 0.000 0.266 413 A C 0.814 178.412 177.584 0.023 0.000 1.119 413 A CA 0.542 52.594 52.037 0.025 0.000 0.786 413 A CB -0.499 18.521 19.000 0.034 0.000 1.061 413 A HN 1.981 nan 8.150 nan 0.000 0.503 414 G N 0.884 109.694 108.800 0.017 0.000 2.516 414 G HA2 0.505 4.465 3.960 0.000 0.000 0.276 414 G HA3 0.505 4.465 3.960 0.000 0.000 0.276 414 G C 1.147 176.060 174.900 0.021 0.000 1.390 414 G CA -0.002 45.107 45.100 0.016 0.000 1.050 414 G HN 2.217 nan 8.290 nan 0.000 0.519 415 G N -2.250 106.563 108.800 0.022 0.000 2.168 415 G HA2 0.217 4.177 3.960 0.000 0.000 0.257 415 G HA3 0.217 4.177 3.960 0.000 0.000 0.257 415 G C 1.427 176.352 174.900 0.042 0.000 0.997 415 G CA 1.073 46.194 45.100 0.036 0.000 0.708 415 G HN 2.519 nan 8.290 nan 0.000 0.520 416 G N -2.210 106.609 108.800 0.032 0.000 2.198 416 G HA2 -0.051 3.909 3.960 0.000 0.000 0.260 416 G HA3 -0.051 3.909 3.960 0.000 0.000 0.260 416 G C 1.626 176.547 174.900 0.036 0.000 1.025 416 G CA 1.612 46.731 45.100 0.031 0.000 0.769 416 G HN 2.094 nan 8.290 nan 0.000 0.507 417 V N -0.584 119.353 119.914 0.039 0.000 2.346 417 V HA 0.268 4.388 4.120 0.000 0.000 0.244 417 V C 2.891 179.009 176.094 0.041 0.000 1.037 417 V CA 2.347 64.675 62.300 0.046 0.000 1.029 417 V CB -0.536 31.319 31.823 0.053 0.000 0.663 417 V HN 1.446 nan 8.190 nan 0.000 0.454 418 A N 0.478 123.318 122.820 0.034 0.000 1.881 418 A HA -0.254 4.066 4.320 0.000 0.000 0.219 418 A C 2.186 179.786 177.584 0.025 0.000 1.215 418 A CA 2.620 54.674 52.037 0.029 0.000 0.648 418 A CB -1.085 17.929 19.000 0.023 0.000 0.832 418 A HN 0.553 nan 8.150 nan 0.000 0.455 419 L N -0.912 120.325 121.223 0.023 0.000 2.042 419 L HA -0.141 4.199 4.340 0.000 0.000 0.210 419 L C 2.404 179.287 176.870 0.022 0.000 1.076 419 L CA 1.904 56.755 54.840 0.019 0.000 0.749 419 L CB -0.750 41.320 42.059 0.018 0.000 0.893 419 L HN 0.517 nan 8.230 nan 0.000 0.432 420 I N -1.360 119.227 120.570 0.028 0.000 2.361 420 I HA -0.278 3.892 4.170 0.000 0.000 0.251 420 I C 2.522 178.657 176.117 0.031 0.000 1.133 420 I CA 0.933 62.251 61.300 0.030 0.000 1.413 420 I CB -0.147 37.876 38.000 0.037 0.000 1.073 420 I HN 0.216 nan 8.210 nan 0.000 0.424 421 R N -0.091 120.429 120.500 0.034 0.000 2.057 421 R HA -0.090 4.250 4.340 0.000 0.000 0.229 421 R C 2.372 178.686 176.300 0.023 0.000 1.136 421 R CA 1.722 57.842 56.100 0.033 0.000 0.952 421 R CB -1.385 28.938 30.300 0.037 0.000 0.848 421 R HN 0.449 nan 8.270 nan 0.000 0.430 422 V N 0.696 120.621 119.914 0.019 0.000 2.568 422 V HA -0.133 3.987 4.120 0.000 0.000 0.253 422 V C 2.168 178.269 176.094 0.011 0.000 1.072 422 V CA 2.056 64.364 62.300 0.013 0.000 1.084 422 V CB -0.697 31.131 31.823 0.009 0.000 0.676 422 V HN 0.251 nan 8.190 nan 0.000 0.469 423 A N 1.198 124.026 122.820 0.013 0.000 1.940 423 A HA -0.172 4.149 4.320 0.000 0.000 0.219 423 A C 2.553 180.144 177.584 0.011 0.000 1.176 423 A CA 2.595 54.639 52.037 0.011 0.000 0.631 423 A CB -0.978 18.029 19.000 0.013 0.000 0.814 423 A HN 1.050 nan 8.150 nan 0.000 0.446 424 S N -0.774 114.934 115.700 0.014 0.000 2.470 424 S HA 0.008 4.478 4.470 0.000 0.000 0.225 424 S C 1.666 176.271 174.600 0.009 0.000 1.006 424 S CA 1.002 59.209 58.200 0.012 0.000 0.934 424 S CB -0.140 63.068 63.200 0.014 0.000 0.778 424 S HN 0.564 nan 8.310 nan 0.000 0.517 425 K N 0.989 121.395 120.400 0.010 0.000 2.211 425 K HA 0.192 4.512 4.320 0.000 0.000 0.203 425 K C 1.015 177.618 176.600 0.005 0.000 1.050 425 K CA 0.891 57.182 56.287 0.007 0.000 0.945 425 K CB -0.250 32.255 32.500 0.008 0.000 0.732 425 K HN 0.426 nan 8.250 nan 0.000 0.451 426 L N -0.537 120.689 121.223 0.005 0.000 2.818 426 L HA 0.275 4.615 4.340 0.000 0.000 0.243 426 L C 1.641 178.513 176.870 0.003 0.000 1.185 426 L CA -0.322 54.520 54.840 0.003 0.000 0.988 426 L CB 0.232 42.293 42.059 0.003 0.000 1.292 426 L HN 0.007 nan 8.230 nan 0.000 0.519 427 A N 0.200 123.022 122.820 0.004 0.000 2.093 427 A HA -0.221 4.099 4.320 0.000 0.000 0.222 427 A C 1.555 179.140 177.584 0.002 0.000 1.162 427 A CA 1.950 53.989 52.037 0.003 0.000 0.655 427 A CB -0.244 18.758 19.000 0.003 0.000 0.805 427 A HN 0.378 nan 8.150 nan 0.000 0.461 428 D N -1.506 118.895 120.400 0.002 0.000 2.398 428 D HA 0.210 4.850 4.640 0.000 0.000 0.210 428 D C -0.089 176.212 176.300 0.001 0.000 1.094 428 D CA -0.309 53.692 54.000 0.001 0.000 0.839 428 D CB 0.037 40.837 40.800 0.001 0.000 0.963 428 D HN 0.276 nan 8.370 nan 0.000 0.506 429 L N 1.703 122.927 121.223 0.001 0.000 2.453 429 L HA 0.155 4.495 4.340 0.000 0.000 0.272 429 L C 0.333 177.203 176.870 0.001 0.000 1.182 429 L CA 0.604 55.444 54.840 0.001 0.000 0.858 429 L CB 0.131 42.191 42.059 0.001 0.000 1.120 429 L HN -0.179 nan 8.230 nan 0.000 0.474 430 R N 2.674 123.174 120.500 0.001 0.000 2.836 430 R HA 0.710 5.050 4.340 0.000 0.000 0.269 430 R C -0.329 175.971 176.300 0.001 0.000 1.010 430 R CA -0.543 55.558 56.100 0.001 0.000 0.930 430 R CB 1.695 31.995 30.300 0.001 0.000 1.218 430 R HN 0.792 nan 8.270 nan 0.000 0.473 431 G N -0.321 108.480 108.800 0.002 0.000 3.107 431 G HA2 0.209 4.169 3.960 0.000 0.000 0.232 431 G HA3 0.209 4.169 3.960 0.000 0.000 0.232 431 G C 0.031 174.932 174.900 0.002 0.000 1.339 431 G CA -0.395 44.706 45.100 0.002 0.000 1.033 431 G HN 0.463 nan 8.290 nan 0.000 0.567 432 Q N -0.174 119.627 119.800 0.002 0.000 2.472 432 Q HA 0.121 4.461 4.340 0.000 0.000 0.208 432 Q C 0.299 176.300 176.000 0.002 0.000 0.958 432 Q CA 0.617 56.421 55.803 0.002 0.000 0.932 432 Q CB -0.097 28.642 28.738 0.002 0.000 1.007 432 Q HN 0.529 nan 8.270 nan 0.000 0.508 433 N N -1.509 117.192 118.700 0.002 0.000 3.185 433 N HA -0.028 4.712 4.740 0.000 0.000 0.238 433 N C -0.131 175.380 175.510 0.002 0.000 1.451 433 N CA -0.451 52.600 53.050 0.002 0.000 0.888 433 N CB 0.899 39.388 38.487 0.002 0.000 1.413 433 N HN -0.154 nan 8.380 nan 0.000 0.511 434 E N 0.313 120.514 120.200 0.002 0.000 2.085 434 E HA -0.141 4.209 4.350 0.000 0.000 0.194 434 E C 0.460 177.061 176.600 0.003 0.000 0.994 434 E CA 1.887 58.288 56.400 0.002 0.000 0.801 434 E CB -0.267 29.434 29.700 0.002 0.000 0.743 434 E HN 0.588 nan 8.360 nan 0.000 0.453 435 D N 0.176 120.578 120.400 0.003 0.000 2.116 435 D HA -0.187 4.453 4.640 0.000 0.000 0.193 435 D C 1.930 178.232 176.300 0.004 0.000 0.998 435 D CA 1.254 55.257 54.000 0.004 0.000 0.836 435 D CB -0.343 40.459 40.800 0.004 0.000 0.951 435 D HN 0.347 nan 8.370 nan 0.000 0.449 436 Q N -0.114 119.688 119.800 0.004 0.000 2.181 436 Q HA -0.150 4.190 4.340 0.000 0.000 0.205 436 Q C 1.699 177.701 176.000 0.003 0.000 0.980 436 Q CA 0.905 56.710 55.803 0.004 0.000 0.862 436 Q CB -0.011 28.729 28.738 0.004 0.000 0.905 436 Q HN 0.273 nan 8.270 nan 0.000 0.429 437 N N -0.335 118.367 118.700 0.003 0.000 2.135 437 N HA -0.107 4.633 4.740 0.000 0.000 0.186 437 N C 1.849 177.361 175.510 0.003 0.000 1.027 437 N CA 0.980 54.031 53.050 0.003 0.000 0.849 437 N CB -0.394 38.094 38.487 0.002 0.000 1.002 437 N HN 0.031 nan 8.380 nan 0.000 0.425 438 V N 1.045 120.961 119.914 0.003 0.000 2.287 438 V HA -0.200 3.920 4.120 0.000 0.000 0.248 438 V C 2.457 178.554 176.094 0.004 0.000 1.053 438 V CA 2.105 64.407 62.300 0.004 0.000 1.027 438 V CB -1.410 30.415 31.823 0.004 0.000 0.646 438 V HN 0.355 nan 8.190 nan 0.000 0.447 439 G N -0.016 108.787 108.800 0.005 0.000 2.476 439 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 439 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 439 G C 1.575 176.478 174.900 0.005 0.000 1.164 439 G CA 1.319 46.423 45.100 0.006 0.000 0.768 439 G HN 0.504 nan 8.290 nan 0.000 0.560 440 I N 0.042 120.614 120.570 0.004 0.000 2.179 440 I HA -0.138 4.032 4.170 0.000 0.000 0.242 440 I C 2.760 178.879 176.117 0.004 0.000 1.088 440 I CA 1.270 62.572 61.300 0.003 0.000 1.357 440 I CB -0.118 37.883 38.000 0.003 0.000 1.051 440 I HN 0.019 nan 8.210 nan 0.000 0.409 441 K N 0.530 120.933 120.400 0.004 0.000 2.147 441 K HA -0.088 4.232 4.320 0.000 0.000 0.205 441 K C 1.947 178.550 176.600 0.005 0.000 1.049 441 K CA 0.856 57.145 56.287 0.004 0.000 0.936 441 K CB -0.553 31.949 32.500 0.004 0.000 0.722 441 K HN 0.082 nan 8.250 nan 0.000 0.446 442 V N 0.491 120.409 119.914 0.005 0.000 2.287 442 V HA -0.318 3.802 4.120 0.000 0.000 0.248 442 V C 2.142 178.240 176.094 0.007 0.000 1.053 442 V CA 2.203 64.507 62.300 0.006 0.000 1.027 442 V CB -0.645 31.182 31.823 0.007 0.000 0.646 442 V HN 0.423 nan 8.190 nan 0.000 0.447 443 A N -0.642 122.181 122.820 0.006 0.000 1.898 443 A HA -0.121 4.199 4.320 0.000 0.000 0.216 443 A C 2.149 179.737 177.584 0.006 0.000 1.181 443 A CA 1.639 53.680 52.037 0.006 0.000 0.620 443 A CB -0.504 18.499 19.000 0.005 0.000 0.819 443 A HN 0.519 nan 8.150 nan 0.000 0.442 444 L N -1.234 119.992 121.223 0.006 0.000 2.042 444 L HA -0.221 4.119 4.340 0.000 0.000 0.210 444 L C 2.842 179.717 176.870 0.008 0.000 1.076 444 L CA 1.832 56.676 54.840 0.006 0.000 0.749 444 L CB -0.568 41.494 42.059 0.006 0.000 0.893 444 L HN 0.398 nan 8.230 nan 0.000 0.432 445 R N -0.074 120.431 120.500 0.007 0.000 2.075 445 R HA -0.105 4.235 4.340 0.000 0.000 0.232 445 R C 2.429 178.734 176.300 0.008 0.000 1.126 445 R CA 1.273 57.377 56.100 0.007 0.000 0.963 445 R CB -0.258 30.046 30.300 0.006 0.000 0.858 445 R HN 0.353 nan 8.270 nan 0.000 0.435 446 A N 0.448 123.273 122.820 0.009 0.000 1.972 446 A HA -0.181 4.139 4.320 0.000 0.000 0.219 446 A C 2.035 179.626 177.584 0.011 0.000 1.169 446 A CA 1.230 53.273 52.037 0.010 0.000 0.635 446 A CB -0.395 18.611 19.000 0.011 0.000 0.810 446 A HN 0.299 nan 8.150 nan 0.000 0.446 447 M N -0.430 119.177 119.600 0.011 0.000 2.530 447 M HA -0.161 4.320 4.480 0.000 0.000 0.261 447 M C 1.370 177.679 176.300 0.014 0.000 1.067 447 M CA 1.160 56.467 55.300 0.012 0.000 1.071 447 M CB -0.190 32.417 32.600 0.011 0.000 1.405 447 M HN 0.475 nan 8.290 nan 0.000 0.478 448 E N -0.599 119.609 120.200 0.013 0.000 2.481 448 E HA -0.011 4.339 4.350 0.000 0.000 0.195 448 E C 1.884 178.492 176.600 0.013 0.000 1.047 448 E CA 0.389 56.797 56.400 0.014 0.000 0.867 448 E CB 0.084 29.791 29.700 0.011 0.000 0.858 448 E HN 0.523 nan 8.360 nan 0.000 0.513 449 A N 2.350 125.178 122.820 0.013 0.000 1.858 449 A HA -0.112 4.208 4.320 0.000 0.000 0.216 449 A C -0.285 177.307 177.584 0.013 0.000 1.190 449 A CA 1.122 53.166 52.037 0.012 0.000 0.617 449 A CB -1.424 17.583 19.000 0.012 0.000 0.827 449 A HN 0.114 nan 8.150 nan 0.000 0.443 450 P HA -0.159 nan 4.420 nan 0.000 0.215 450 P C 1.750 179.063 177.300 0.021 0.000 1.153 450 P CA 0.952 64.063 63.100 0.019 0.000 0.853 450 P CB -0.089 31.623 31.700 0.021 0.000 0.788 451 L N -1.130 120.107 121.223 0.023 0.000 2.093 451 L HA -0.120 4.220 4.340 0.000 0.000 0.208 451 L C 2.428 179.306 176.870 0.013 0.000 1.085 451 L CA 1.569 56.425 54.840 0.027 0.000 0.755 451 L CB -0.174 41.904 42.059 0.031 0.000 0.904 451 L HN -0.207 nan 8.230 nan 0.000 0.435 452 R N -0.866 119.638 120.500 0.006 0.000 2.092 452 R HA -0.137 4.203 4.340 0.000 0.000 0.231 452 R C 2.370 178.668 176.300 -0.003 0.000 1.119 452 R CA 1.235 57.332 56.100 -0.005 0.000 0.970 452 R CB -0.125 30.173 30.300 -0.003 0.000 0.864 452 R HN 0.399 nan 8.270 nan 0.000 0.440 453 Q N 0.232 120.036 119.800 0.005 0.000 2.172 453 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 453 Q C 2.126 178.133 176.000 0.012 0.000 0.964 453 Q CA 1.103 56.910 55.803 0.007 0.000 0.855 453 Q CB 0.084 28.828 28.738 0.009 0.000 0.918 453 Q HN 0.427 nan 8.270 nan 0.000 0.444 454 I N -0.085 120.496 120.570 0.020 0.000 2.226 454 I HA -0.255 3.915 4.170 0.000 0.000 0.245 454 I C 2.183 178.323 176.117 0.038 0.000 1.100 454 I CA 0.908 62.227 61.300 0.033 0.000 1.374 454 I CB -0.189 37.839 38.000 0.047 0.000 1.057 454 I HN -0.009 nan 8.210 nan 0.000 0.413 455 V N 0.391 120.317 119.914 0.020 0.000 2.453 455 V HA -0.233 3.887 4.120 0.000 0.000 0.247 455 V C 2.283 178.373 176.094 -0.008 0.000 1.048 455 V CA 1.187 63.482 62.300 -0.007 0.000 1.049 455 V CB -0.334 31.434 31.823 -0.091 0.000 0.672 455 V HN 0.315 nan 8.190 nan 0.000 0.457 456 L N 0.529 121.748 121.223 -0.007 0.000 2.141 456 L HA -0.072 4.268 4.340 0.000 0.000 0.209 456 L C 1.971 178.842 176.870 0.003 0.000 1.094 456 L CA 1.821 56.658 54.840 -0.005 0.000 0.763 456 L CB -1.054 41.002 42.059 -0.005 0.000 0.908 456 L HN 0.388 nan 8.230 nan 0.000 0.437 457 N N -2.073 116.632 118.700 0.008 0.000 2.453 457 N HA -0.152 4.588 4.740 0.000 0.000 0.183 457 N C 1.348 176.867 175.510 0.015 0.000 1.041 457 N CA 0.972 54.029 53.050 0.011 0.000 0.900 457 N CB -0.098 38.396 38.487 0.012 0.000 0.961 457 N HN 0.374 nan 8.380 nan 0.000 0.443 458 C N 0.108 119.421 119.300 0.023 0.000 2.626 458 C HA 0.235 4.695 4.460 0.000 0.000 0.266 458 C C 1.733 176.735 174.990 0.019 0.000 1.317 458 C CA -0.139 58.897 59.018 0.029 0.000 1.716 458 C CB -1.102 26.675 27.740 0.062 0.000 1.819 458 C HN 0.610 nan 8.230 nan 0.000 0.578 459 G N 1.676 110.482 108.800 0.009 0.000 2.203 459 G HA2 -0.246 3.714 3.960 0.000 0.000 0.263 459 G HA3 -0.246 3.714 3.960 0.000 0.000 0.263 459 G C -0.159 174.742 174.900 0.001 0.000 1.012 459 G CA 0.722 45.825 45.100 0.004 0.000 0.749 459 G HN 0.641 nan 8.290 nan 0.000 0.512 460 E N -0.304 119.893 120.200 -0.005 0.000 2.405 460 E HA 0.549 4.899 4.350 0.000 0.000 0.249 460 E C 0.029 176.605 176.600 -0.040 0.000 1.028 460 E CA -0.838 55.550 56.400 -0.022 0.000 0.897 460 E CB 0.785 30.464 29.700 -0.035 0.000 1.262 460 E HN 0.433 nan 8.360 nan 0.000 0.442 461 E N 1.460 121.629 120.200 -0.051 0.000 2.044 461 E HA 0.115 4.465 4.350 0.000 0.000 0.282 461 E C -2.038 174.524 176.600 -0.063 0.000 1.031 461 E CA -1.702 54.672 56.400 -0.043 0.000 0.824 461 E CB 0.953 30.637 29.700 -0.027 0.000 1.076 461 E HN 0.224 nan 8.360 nan 0.000 0.395 462 P HA -0.214 nan 4.420 nan 0.000 0.216 462 P C 1.183 178.455 177.300 -0.046 0.000 1.150 462 P CA 1.320 64.388 63.100 -0.054 0.000 0.843 462 P CB 0.198 31.880 31.700 -0.030 0.000 0.787 463 S N -2.099 113.582 115.700 -0.032 0.000 2.496 463 S HA 0.019 4.489 4.470 0.000 0.000 0.224 463 S C 1.900 176.487 174.600 -0.022 0.000 0.996 463 S CA 0.251 58.438 58.200 -0.022 0.000 0.927 463 S CB -1.142 62.050 63.200 -0.013 0.000 0.774 463 S HN -0.046 nan 8.310 nan 0.000 0.524 464 V N 1.381 121.277 119.914 -0.030 0.000 2.379 464 V HA -0.048 4.072 4.120 0.000 0.000 0.243 464 V C 2.478 178.559 176.094 -0.023 0.000 1.035 464 V CA 1.121 63.408 62.300 -0.022 0.000 1.035 464 V CB -0.361 31.453 31.823 -0.015 0.000 0.673 464 V HN 0.389 nan 8.190 nan 0.000 0.457 465 V N 0.390 120.263 119.914 -0.069 0.000 2.237 465 V HA -0.277 3.843 4.120 0.000 0.000 0.245 465 V C 2.751 178.831 176.094 -0.023 0.000 1.046 465 V CA 2.184 64.428 62.300 -0.093 0.000 1.007 465 V CB -1.176 30.422 31.823 -0.376 0.000 0.638 465 V HN 0.559 nan 8.190 nan 0.000 0.445 466 A N 0.343 123.144 122.820 -0.033 0.000 1.884 466 A HA -0.346 3.974 4.320 0.000 0.000 0.219 466 A C 2.034 179.624 177.584 0.010 0.000 1.197 466 A CA 2.598 54.635 52.037 -0.000 0.000 0.637 466 A CB -0.968 18.030 19.000 -0.004 0.000 0.827 466 A HN 0.610 nan 8.150 nan 0.000 0.450 467 N N -0.437 118.262 118.700 -0.002 0.000 2.036 467 N HA -0.168 4.572 4.740 0.000 0.000 0.195 467 N C 2.056 177.563 175.510 -0.006 0.000 1.037 467 N CA 2.603 55.651 53.050 -0.003 0.000 0.855 467 N CB -0.931 37.550 38.487 -0.010 0.000 1.033 467 N HN 0.745 nan 8.380 nan 0.000 0.423 468 T N -1.525 113.011 114.554 -0.031 0.000 2.821 468 T HA -0.045 4.305 4.350 0.000 0.000 0.267 468 T C 2.024 176.743 174.700 0.032 0.000 1.046 468 T CA 1.249 63.303 62.100 -0.077 0.000 1.139 468 T CB -0.711 67.993 68.868 -0.275 0.000 0.871 468 T HN -0.043 nan 8.240 nan 0.000 0.454 469 V N 1.583 121.531 119.914 0.057 0.000 2.407 469 V HA -0.110 4.010 4.120 0.000 0.000 0.248 469 V C 2.856 179.039 176.094 0.149 0.000 1.055 469 V CA 1.905 64.285 62.300 0.132 0.000 1.049 469 V CB -0.613 31.270 31.823 0.100 0.000 0.662 469 V HN 0.515 nan 8.190 nan 0.000 0.455 470 K N 0.246 120.693 120.400 0.079 0.000 2.097 470 K HA -0.085 4.235 4.320 0.000 0.000 0.205 470 K C 2.184 178.815 176.600 0.052 0.000 1.050 470 K CA 1.272 57.595 56.287 0.059 0.000 0.938 470 K CB -0.623 31.896 32.500 0.032 0.000 0.718 470 K HN 0.553 nan 8.250 nan 0.000 0.442 471 G N 0.736 109.559 108.800 0.039 0.000 2.527 471 G HA2 -0.156 3.804 3.960 0.000 0.000 0.219 471 G HA3 -0.156 3.804 3.960 0.000 0.000 0.219 471 G C 0.758 175.642 174.900 -0.026 0.000 1.117 471 G CA 0.904 46.005 45.100 0.002 0.000 0.759 471 G HN 0.391 nan 8.290 nan 0.000 0.556 472 G N -1.149 107.669 108.800 0.029 0.000 2.773 472 G HA2 0.519 4.479 3.960 0.000 0.000 0.186 472 G HA3 0.519 4.479 3.960 0.000 0.000 0.186 472 G C -1.200 173.700 174.900 -0.000 0.000 1.411 472 G CA -0.301 44.750 45.100 -0.082 0.000 1.054 472 G HN 0.116 nan 8.290 nan 0.000 0.579 473 D N -2.578 117.837 120.400 0.025 0.000 2.655 473 D HA 0.497 5.137 4.640 0.000 0.000 0.229 473 D C 0.908 177.252 176.300 0.074 0.000 1.229 473 D CA 0.642 54.658 54.000 0.027 0.000 0.807 473 D CB 1.625 42.410 40.800 -0.025 0.000 1.514 473 D HN 0.823 nan 8.370 nan 0.000 0.444 474 G N 1.821 110.654 108.800 0.055 0.000 2.702 474 G HA2 -0.400 3.560 3.960 0.000 0.000 0.342 474 G HA3 -0.400 3.560 3.960 0.000 0.000 0.342 474 G C 0.542 175.496 174.900 0.090 0.000 1.258 474 G CA 0.911 46.047 45.100 0.060 0.000 0.990 474 G HN 0.649 nan 8.290 nan 0.000 0.548 475 N N -0.313 118.448 118.700 0.102 0.000 2.251 475 N HA 0.255 4.995 4.740 0.000 0.000 0.217 475 N C -0.053 175.552 175.510 0.157 0.000 1.124 475 N CA -0.315 52.798 53.050 0.105 0.000 0.843 475 N CB 0.385 38.916 38.487 0.074 0.000 1.024 475 N HN 0.439 nan 8.380 nan 0.000 0.501 476 Y N 1.691 122.020 120.300 0.048 0.000 2.526 476 Y HA 0.316 4.866 4.550 0.000 0.000 0.330 476 Y C 0.611 176.574 175.900 0.104 0.000 1.156 476 Y CA 0.228 58.371 58.100 0.072 0.000 1.419 476 Y CB 0.271 38.764 38.460 0.055 0.000 1.250 476 Y HN 0.006 nan 8.280 nan 0.000 0.540 477 G N 4.060 112.736 108.800 -0.207 0.000 2.663 477 G HA2 0.277 4.237 3.960 0.000 0.000 0.299 477 G HA3 0.277 4.237 3.960 0.000 0.000 0.299 477 G C -2.457 172.392 174.900 -0.085 0.000 1.372 477 G CA -0.961 44.068 45.100 -0.119 0.000 0.781 477 G HN 0.537 nan 8.290 nan 0.000 0.491 478 Y N 1.517 121.745 120.300 -0.121 0.000 2.341 478 Y HA 0.518 5.068 4.550 0.000 0.000 0.340 478 Y C 0.184 175.969 175.900 -0.192 0.000 0.997 478 Y CA -1.290 56.679 58.100 -0.218 0.000 1.149 478 Y CB 1.323 39.673 38.460 -0.183 0.000 1.171 478 Y HN 0.408 nan 8.280 nan 0.000 0.494 479 N N 4.961 123.203 118.700 -0.764 0.000 2.439 479 N HA 0.144 4.884 4.740 0.000 0.000 0.243 479 N C 0.525 175.468 175.510 -0.946 0.000 1.088 479 N CA 0.582 53.256 53.050 -0.627 0.000 0.940 479 N CB 1.172 39.411 38.487 -0.413 0.000 1.180 479 N HN 0.923 nan 8.380 nan 0.000 0.505 480 A N 3.856 126.357 122.820 -0.533 0.000 1.933 480 A HA -0.089 4.231 4.320 0.000 0.000 0.218 480 A C 2.047 179.506 177.584 -0.208 0.000 1.175 480 A CA 1.772 53.653 52.037 -0.260 0.000 0.628 480 A CB -0.521 18.494 19.000 0.024 0.000 0.814 480 A HN 0.689 nan 8.150 nan 0.000 0.444 481 A N -0.566 122.139 122.820 -0.192 0.000 1.930 481 A HA -0.009 4.311 4.320 0.000 0.000 0.217 481 A C 2.139 179.634 177.584 -0.148 0.000 1.175 481 A CA 2.122 54.081 52.037 -0.129 0.000 0.627 481 A CB -0.839 18.103 19.000 -0.096 0.000 0.815 481 A HN 0.816 nan 8.150 nan 0.000 0.443 482 T N -2.090 112.334 114.554 -0.218 0.000 3.176 482 T HA 0.222 4.572 4.350 0.000 0.000 0.263 482 T C 0.186 174.753 174.700 -0.221 0.000 1.021 482 T CA 0.492 62.485 62.100 -0.179 0.000 0.905 482 T CB -0.399 68.376 68.868 -0.154 0.000 1.057 482 T HN 0.624 nan 8.240 nan 0.000 0.558 483 E N 1.658 121.675 120.200 -0.304 0.000 2.282 483 E HA -0.271 4.079 4.350 0.000 0.000 0.228 483 E C -0.381 175.992 176.600 -0.378 0.000 1.314 483 E CA 1.017 57.219 56.400 -0.330 0.000 0.716 483 E CB -2.190 27.486 29.700 -0.039 0.000 1.167 483 E HN 0.956 nan 8.360 nan 0.000 0.372 484 E N -0.626 119.255 120.200 -0.532 0.000 2.343 484 E HA 0.524 4.874 4.350 0.000 0.000 0.270 484 E C -0.695 175.615 176.600 -0.484 0.000 0.895 484 E CA -1.081 55.082 56.400 -0.395 0.000 0.767 484 E CB 0.862 30.483 29.700 -0.132 0.000 1.248 484 E HN 0.079 nan 8.360 nan 0.000 0.440 485 Y N 0.263 120.530 120.300 -0.055 0.000 2.299 485 Y HA 0.561 5.111 4.550 0.000 0.000 0.335 485 Y C 1.199 177.045 175.900 -0.090 0.000 1.287 485 Y CA 1.038 59.059 58.100 -0.132 0.000 1.424 485 Y CB 1.384 39.773 38.460 -0.117 0.000 1.326 485 Y HN 0.846 nan 8.280 nan 0.000 0.567 486 G N 0.393 109.205 108.800 0.021 0.000 2.323 486 G HA2 -0.011 3.949 3.960 0.000 0.000 0.291 486 G HA3 -0.011 3.949 3.960 0.000 0.000 0.291 486 G C -1.921 173.052 174.900 0.121 0.000 1.278 486 G CA -1.175 43.999 45.100 0.123 0.000 0.860 486 G HN 0.542 nan 8.290 nan 0.000 0.504 487 N N 1.144 119.915 118.700 0.119 0.000 2.401 487 N HA 0.133 4.874 4.740 0.000 0.000 0.255 487 N C 1.750 177.286 175.510 0.044 0.000 1.110 487 N CA -0.499 52.611 53.050 0.099 0.000 0.949 487 N CB 0.810 39.350 38.487 0.089 0.000 1.110 487 N HN 0.402 nan 8.380 nan 0.000 0.490 488 M N 3.364 122.985 119.600 0.034 0.000 2.149 488 M HA -0.161 4.319 4.480 0.000 0.000 0.261 488 M C 1.534 177.840 176.300 0.011 0.000 1.064 488 M CA 1.062 56.367 55.300 0.009 0.000 1.102 488 M CB -0.485 32.122 32.600 0.011 0.000 1.369 488 M HN 0.540 nan 8.290 nan 0.000 0.408 489 I N 0.447 121.030 120.570 0.022 0.000 2.353 489 I HA -0.225 3.945 4.170 0.000 0.000 0.248 489 I C 1.832 177.957 176.117 0.013 0.000 1.119 489 I CA 1.271 62.581 61.300 0.017 0.000 1.417 489 I CB -1.325 36.688 38.000 0.021 0.000 1.078 489 I HN 0.234 nan 8.210 nan 0.000 0.421 490 D N 0.757 121.168 120.400 0.017 0.000 2.144 490 D HA -0.144 4.496 4.640 0.000 0.000 0.199 490 D C 2.186 178.488 176.300 0.003 0.000 0.984 490 D CA 1.137 55.145 54.000 0.013 0.000 0.834 490 D CB -0.117 40.695 40.800 0.021 0.000 0.955 490 D HN 0.323 nan 8.370 nan 0.000 0.465 491 M N -0.584 119.014 119.600 -0.003 0.000 2.659 491 M HA 0.122 4.602 4.480 0.000 0.000 0.243 491 M C 1.090 177.378 176.300 -0.019 0.000 1.111 491 M CA 0.622 55.911 55.300 -0.018 0.000 1.070 491 M CB 0.255 32.834 32.600 -0.036 0.000 1.525 491 M HN 0.056 nan 8.290 nan 0.000 0.517 492 G N 2.118 110.912 108.800 -0.010 0.000 2.160 492 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 492 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 492 G C 0.104 174.997 174.900 -0.011 0.000 1.008 492 G CA -0.197 44.898 45.100 -0.008 0.000 0.724 492 G HN 0.565 nan 8.290 nan 0.000 0.514 493 I N 1.463 122.025 120.570 -0.013 0.000 2.243 493 I HA 0.310 4.480 4.170 0.000 0.000 0.289 493 I C 0.567 176.682 176.117 -0.002 0.000 1.140 493 I CA -0.290 61.002 61.300 -0.014 0.000 1.289 493 I CB 0.088 38.072 38.000 -0.027 0.000 1.498 493 I HN 0.006 nan 8.210 nan 0.000 0.561 494 L N 3.802 125.026 121.223 0.002 0.000 2.295 494 L HA 0.488 4.828 4.340 0.000 0.000 0.285 494 L C -0.393 176.484 176.870 0.011 0.000 1.035 494 L CA -0.687 54.158 54.840 0.008 0.000 0.806 494 L CB 1.280 43.344 42.059 0.009 0.000 1.214 494 L HN 0.314 nan 8.230 nan 0.000 0.426 495 D N 3.630 124.038 120.400 0.015 0.000 2.175 495 D HA 0.370 5.010 4.640 0.000 0.000 0.248 495 D C -2.423 173.888 176.300 0.019 0.000 1.047 495 D CA -1.481 52.529 54.000 0.018 0.000 0.883 495 D CB 1.824 42.635 40.800 0.019 0.000 1.180 495 D HN 0.202 nan 8.370 nan 0.000 0.438 496 P HA 0.147 nan 4.420 nan 0.000 0.276 496 P C 0.652 177.966 177.300 0.023 0.000 1.230 496 P CA -0.230 62.885 63.100 0.024 0.000 0.776 496 P CB 0.843 32.563 31.700 0.032 0.000 0.888 497 T N 2.300 116.865 114.554 0.019 0.000 2.708 497 T HA -0.187 4.163 4.350 0.000 0.000 0.266 497 T C 1.627 176.335 174.700 0.014 0.000 1.037 497 T CA 1.313 63.421 62.100 0.015 0.000 1.146 497 T CB -0.462 68.412 68.868 0.011 0.000 0.865 497 T HN 0.495 nan 8.240 nan 0.000 0.435 498 K N 0.904 121.314 120.400 0.017 0.000 2.189 498 K HA -0.182 4.138 4.320 0.000 0.000 0.207 498 K C 2.240 178.858 176.600 0.029 0.000 1.046 498 K CA 1.668 57.968 56.287 0.021 0.000 0.928 498 K CB -0.349 32.170 32.500 0.032 0.000 0.720 498 K HN 0.355 nan 8.250 nan 0.000 0.458 499 V N -0.917 119.017 119.914 0.034 0.000 2.379 499 V HA -0.119 4.002 4.120 0.000 0.000 0.243 499 V C 1.716 177.829 176.094 0.032 0.000 1.035 499 V CA 2.098 64.423 62.300 0.042 0.000 1.035 499 V CB -0.515 31.333 31.823 0.042 0.000 0.673 499 V HN 0.337 nan 8.190 nan 0.000 0.457 500 T N 0.863 115.431 114.554 0.022 0.000 2.720 500 T HA -0.187 4.163 4.350 0.000 0.000 0.268 500 T C 2.062 176.765 174.700 0.004 0.000 1.037 500 T CA 2.075 64.184 62.100 0.016 0.000 1.144 500 T CB -0.459 68.417 68.868 0.014 0.000 0.864 500 T HN 0.504 nan 8.240 nan 0.000 0.444 501 R N 0.938 121.435 120.500 -0.006 0.000 2.075 501 R HA -0.027 4.313 4.340 0.000 0.000 0.232 501 R C 2.457 178.715 176.300 -0.071 0.000 1.126 501 R CA 1.558 57.638 56.100 -0.034 0.000 0.963 501 R CB -0.555 29.724 30.300 -0.035 0.000 0.858 501 R HN 0.301 nan 8.270 nan 0.000 0.435 502 S N 0.757 116.429 115.700 -0.047 0.000 2.357 502 S HA -0.046 4.424 4.470 0.000 0.000 0.221 502 S C 2.066 176.668 174.600 0.004 0.000 1.031 502 S CA 1.027 59.172 58.200 -0.091 0.000 0.982 502 S CB -0.244 63.022 63.200 0.111 0.000 0.853 502 S HN 0.539 nan 8.310 nan 0.000 0.458 503 A N 1.822 124.686 122.820 0.074 0.000 1.903 503 A HA -0.140 4.180 4.320 0.000 0.000 0.219 503 A C 2.110 179.720 177.584 0.043 0.000 1.191 503 A CA 1.432 53.520 52.037 0.085 0.000 0.638 503 A CB -0.890 18.145 19.000 0.057 0.000 0.823 503 A HN 0.464 nan 8.150 nan 0.000 0.451 504 L N -0.854 120.366 121.223 -0.004 0.000 1.994 504 L HA -0.253 4.087 4.340 0.000 0.000 0.208 504 L C 2.880 179.722 176.870 -0.047 0.000 1.071 504 L CA 2.144 56.973 54.840 -0.018 0.000 0.745 504 L CB -0.668 41.374 42.059 -0.027 0.000 0.892 504 L HN 0.563 nan 8.230 nan 0.000 0.431 505 Q N -1.026 118.692 119.800 -0.138 0.000 2.002 505 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 505 Q C 2.077 177.985 176.000 -0.154 0.000 0.988 505 Q CA 2.167 57.838 55.803 -0.221 0.000 0.843 505 Q CB -0.352 28.139 28.738 -0.411 0.000 0.908 505 Q HN 0.465 nan 8.270 nan 0.000 0.420 506 Y N 0.121 120.424 120.300 0.006 0.000 2.181 506 Y HA -0.169 4.381 4.550 0.000 0.000 0.288 506 Y C 2.411 178.314 175.900 0.005 0.000 1.146 506 Y CA 0.892 58.995 58.100 0.005 0.000 1.164 506 Y CB -0.914 37.547 38.460 0.003 0.000 0.982 506 Y HN 0.155 nan 8.280 nan 0.000 0.515 507 A N 0.004 122.918 122.820 0.156 0.000 1.902 507 A HA -0.120 4.201 4.320 0.000 0.000 0.217 507 A C 2.478 180.099 177.584 0.062 0.000 1.181 507 A CA 1.975 54.067 52.037 0.091 0.000 0.623 507 A CB -1.219 17.820 19.000 0.064 0.000 0.818 507 A HN 0.388 nan 8.150 nan 0.000 0.443 508 A N -0.930 121.914 122.820 0.040 0.000 1.930 508 A HA -0.066 4.254 4.320 0.000 0.000 0.217 508 A C 2.459 180.062 177.584 0.033 0.000 1.175 508 A CA 2.041 54.093 52.037 0.025 0.000 0.627 508 A CB -0.901 18.103 19.000 0.006 0.000 0.815 508 A HN 0.573 nan 8.150 nan 0.000 0.443 509 S N -0.649 115.080 115.700 0.047 0.000 2.368 509 S HA -0.147 4.323 4.470 0.000 0.000 0.225 509 S C 2.019 176.655 174.600 0.060 0.000 1.030 509 S CA 2.049 60.284 58.200 0.057 0.000 0.999 509 S CB -0.574 62.682 63.200 0.092 0.000 0.844 509 S HN 0.964 nan 8.310 nan 0.000 0.459 510 V N 0.771 120.726 119.914 0.069 0.000 2.426 510 V HA 0.286 4.407 4.120 0.000 0.000 0.242 510 V C 2.463 178.580 176.094 0.038 0.000 1.036 510 V CA 1.506 63.836 62.300 0.050 0.000 1.044 510 V CB -1.319 30.532 31.823 0.046 0.000 0.688 510 V HN 0.466 nan 8.190 nan 0.000 0.462 511 A N 1.140 123.982 122.820 0.038 0.000 1.927 511 A HA -0.111 4.209 4.320 0.000 0.000 0.220 511 A C 2.439 180.038 177.584 0.026 0.000 1.185 511 A CA 2.515 54.570 52.037 0.029 0.000 0.639 511 A CB -1.784 17.233 19.000 0.027 0.000 0.820 511 A HN 0.902 nan 8.150 nan 0.000 0.451 512 G N -0.284 108.531 108.800 0.026 0.000 2.553 512 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 512 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 512 G C 1.596 176.509 174.900 0.022 0.000 1.195 512 G CA 1.237 46.350 45.100 0.022 0.000 0.779 512 G HN 0.457 nan 8.290 nan 0.000 0.577 513 L N -0.320 120.918 121.223 0.025 0.000 2.017 513 L HA -0.023 4.317 4.340 0.000 0.000 0.208 513 L C 3.179 180.064 176.870 0.024 0.000 1.073 513 L CA 1.076 55.931 54.840 0.025 0.000 0.745 513 L CB -0.227 41.848 42.059 0.026 0.000 0.894 513 L HN 0.253 nan 8.230 nan 0.000 0.432 514 M N -0.246 119.369 119.600 0.025 0.000 2.149 514 M HA -0.225 4.255 4.480 0.000 0.000 0.261 514 M C 2.118 178.432 176.300 0.024 0.000 1.064 514 M CA 1.740 57.055 55.300 0.025 0.000 1.102 514 M CB -0.401 32.214 32.600 0.025 0.000 1.369 514 M HN 0.358 nan 8.290 nan 0.000 0.408 515 I N -2.018 118.565 120.570 0.022 0.000 3.444 515 I HA -0.028 4.142 4.170 0.000 0.000 0.287 515 I C 1.355 177.485 176.117 0.022 0.000 1.302 515 I CA 1.059 62.371 61.300 0.021 0.000 1.368 515 I CB -0.652 37.359 38.000 0.018 0.000 1.048 515 I HN 0.173 nan 8.210 nan 0.000 0.487 516 T N -2.258 112.310 114.554 0.023 0.000 3.176 516 T HA 0.217 4.567 4.350 0.000 0.000 0.263 516 T C 0.558 175.276 174.700 0.030 0.000 1.021 516 T CA -0.328 61.787 62.100 0.025 0.000 0.905 516 T CB -0.716 68.166 68.868 0.024 0.000 1.057 516 T HN 0.198 nan 8.240 nan 0.000 0.558 517 T N 2.551 117.124 114.554 0.031 0.000 2.870 517 T HA 0.255 4.605 4.350 0.000 0.000 0.300 517 T C 0.767 175.494 174.700 0.044 0.000 0.989 517 T CA -0.055 62.067 62.100 0.036 0.000 1.139 517 T CB 1.401 70.290 68.868 0.034 0.000 0.920 517 T HN 0.431 nan 8.240 nan 0.000 0.537 518 E N 0.791 121.027 120.200 0.059 0.000 2.500 518 E HA 0.210 4.560 4.350 0.000 0.000 0.217 518 E C -0.064 176.614 176.600 0.130 0.000 0.848 518 E CA -0.121 56.333 56.400 0.091 0.000 1.217 518 E CB 0.607 30.365 29.700 0.097 0.000 1.217 518 E HN 0.623 nan 8.360 nan 0.000 0.573 519 C N 0.289 119.630 119.300 0.068 0.000 2.994 519 C HA 0.803 5.263 4.460 0.000 0.000 0.305 519 C C -1.600 173.356 174.990 -0.056 0.000 1.251 519 C CA -0.607 58.387 59.018 -0.041 0.000 1.478 519 C CB 0.806 28.526 27.740 -0.033 0.000 1.922 519 C HN 0.362 nan 8.230 nan 0.000 0.472 520 M N 4.157 123.702 119.600 -0.092 0.000 2.322 520 M HA 0.533 5.013 4.480 0.000 0.000 0.286 520 M C -1.427 174.923 176.300 0.083 0.000 1.111 520 M CA -0.425 54.908 55.300 0.054 0.000 0.941 520 M CB 2.208 34.933 32.600 0.209 0.000 1.671 520 M HN 0.420 nan 8.290 nan 0.000 0.470 521 V N 1.451 121.377 119.914 0.020 0.000 2.588 521 V HA 0.881 5.002 4.120 0.000 0.000 0.304 521 V C -0.281 175.754 176.094 -0.097 0.000 1.042 521 V CA -0.300 61.983 62.300 -0.028 0.000 0.877 521 V CB 2.081 33.877 31.823 -0.046 0.000 0.996 521 V HN 0.976 nan 8.190 nan 0.000 0.425 522 T N 2.193 116.648 114.554 -0.165 0.000 2.653 522 T HA 0.365 4.715 4.350 0.000 0.000 0.306 522 T C -1.811 172.768 174.700 -0.202 0.000 1.426 522 T CA -0.464 61.488 62.100 -0.247 0.000 1.008 522 T CB 1.842 70.425 68.868 -0.476 0.000 1.692 522 T HN 0.587 nan 8.240 nan 0.000 0.483 523 D N 0.968 121.249 120.400 -0.198 0.000 2.348 523 D HA 0.501 5.141 4.640 0.000 0.000 0.249 523 D C -0.081 176.148 176.300 -0.118 0.000 1.110 523 D CA -0.258 53.666 54.000 -0.126 0.000 0.967 523 D CB 0.624 41.367 40.800 -0.096 0.000 1.139 523 D HN 0.427 nan 8.370 nan 0.000 0.466 524 L N 2.383 123.569 121.223 -0.062 0.000 2.426 524 L HA 0.240 4.581 4.340 0.000 0.000 0.271 524 L C -1.469 175.380 176.870 -0.034 0.000 1.169 524 L CA -1.449 53.372 54.840 -0.032 0.000 0.836 524 L CB 0.390 42.442 42.059 -0.012 0.000 1.112 524 L HN 0.314 nan 8.230 nan 0.000 0.465 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 525 P CB 0.000 31.705 31.700 0.009 0.000 0.726