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 1pf9_1_C 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 18.985 19.000 -0.024 0.000 0.831 3 A N 2.220 125.034 122.820 -0.011 0.000 2.531 3 A HA 0.526 4.846 4.320 0.000 0.000 0.236 3 A C 0.231 177.807 177.584 -0.013 0.000 1.062 3 A CA 0.394 52.427 52.037 -0.006 0.000 0.760 3 A CB -0.010 18.990 19.000 0.000 0.000 0.995 3 A HN 0.622 nan 8.150 nan 0.000 0.501 4 K N 1.485 121.879 120.400 -0.009 0.000 2.208 4 K HA 0.404 4.724 4.320 0.000 0.000 0.247 4 K C -1.263 175.341 176.600 0.007 0.000 0.953 4 K CA -0.722 55.554 56.287 -0.018 0.000 0.837 4 K CB 1.638 34.125 32.500 -0.023 0.000 1.131 4 K HN 0.686 nan 8.250 nan 0.000 0.431 5 D N 1.869 122.275 120.400 0.010 0.000 2.392 5 D HA 0.208 4.848 4.640 0.000 0.000 0.228 5 D C -0.962 175.447 176.300 0.181 0.000 1.074 5 D CA -0.534 53.530 54.000 0.107 0.000 0.838 5 D CB 0.976 41.866 40.800 0.150 0.000 1.067 5 D HN 0.273 nan 8.370 nan 0.000 0.511 6 V N 1.455 121.432 119.914 0.105 0.000 2.427 6 V HA 0.644 4.764 4.120 0.000 0.000 0.286 6 V C -0.379 175.641 176.094 -0.124 0.000 1.034 6 V CA -0.541 61.744 62.300 -0.024 0.000 0.893 6 V CB 1.397 33.115 31.823 -0.174 0.000 0.982 6 V HN 0.330 nan 8.190 nan 0.000 0.452 7 K N 4.268 124.522 120.400 -0.244 0.000 2.316 7 K HA 0.716 5.036 4.320 0.000 0.000 0.251 7 K C -1.554 174.803 176.600 -0.404 0.000 0.934 7 K CA -0.440 55.627 56.287 -0.367 0.000 0.802 7 K CB 2.223 34.310 32.500 -0.689 0.000 1.171 7 K HN 0.727 nan 8.250 nan 0.000 0.426 8 F N 0.225 120.126 119.950 -0.083 0.000 2.575 8 F HA 0.428 4.955 4.527 0.000 0.000 0.330 8 F C 1.362 177.128 175.800 -0.056 0.000 1.056 8 F CA 0.132 58.104 58.000 -0.046 0.000 0.964 8 F CB 1.651 40.634 39.000 -0.028 0.000 1.258 8 F HN 0.803 nan 8.300 nan 0.000 0.484 9 G N 1.751 110.673 108.800 0.205 0.000 2.660 9 G HA2 -0.523 3.437 3.960 0.000 0.000 0.338 9 G HA3 -0.523 3.437 3.960 0.000 0.000 0.338 9 G C 0.970 175.892 174.900 0.036 0.000 1.336 9 G CA 1.336 46.492 45.100 0.094 0.000 0.990 9 G HN 0.925 nan 8.290 nan 0.000 0.537 10 N N 0.116 118.828 118.700 0.020 0.000 2.142 10 N HA -0.083 4.657 4.740 0.000 0.000 0.186 10 N C 1.795 177.292 175.510 -0.021 0.000 1.023 10 N CA 2.093 55.143 53.050 0.001 0.000 0.852 10 N CB -0.242 38.245 38.487 -0.001 0.000 0.998 10 N HN 0.517 nan 8.380 nan 0.000 0.424 11 D N 0.140 120.522 120.400 -0.030 0.000 2.177 11 D HA -0.232 4.408 4.640 0.000 0.000 0.189 11 D C 1.845 178.066 176.300 -0.131 0.000 1.002 11 D CA 2.008 55.962 54.000 -0.077 0.000 0.845 11 D CB -0.821 39.929 40.800 -0.082 0.000 0.960 11 D HN 0.486 nan 8.370 nan 0.000 0.447 12 A N 0.394 123.132 122.820 -0.137 0.000 1.902 12 A HA -0.192 4.128 4.320 0.000 0.000 0.217 12 A C 2.200 179.731 177.584 -0.088 0.000 1.181 12 A CA 1.549 53.470 52.037 -0.193 0.000 0.623 12 A CB -0.392 18.520 19.000 -0.146 0.000 0.818 12 A HN 0.149 nan 8.150 nan 0.000 0.443 13 R N -0.759 119.717 120.500 -0.040 0.000 2.070 13 R HA -0.095 4.245 4.340 0.000 0.000 0.233 13 R C 2.108 178.401 176.300 -0.012 0.000 1.137 13 R CA 1.510 57.603 56.100 -0.011 0.000 0.945 13 R CB -0.784 29.516 30.300 0.000 0.000 0.845 13 R HN 0.369 nan 8.270 nan 0.000 0.430 14 V N 2.091 121.990 119.914 -0.023 0.000 2.250 14 V HA -0.338 3.782 4.120 0.000 0.000 0.250 14 V C 2.350 178.436 176.094 -0.013 0.000 1.060 14 V CA 1.848 64.137 62.300 -0.018 0.000 1.030 14 V CB -0.434 31.375 31.823 -0.025 0.000 0.643 14 V HN 0.311 nan 8.190 nan 0.000 0.445 15 K N -0.605 119.776 120.400 -0.031 0.000 2.009 15 K HA -0.219 4.101 4.320 0.000 0.000 0.210 15 K C 2.138 178.761 176.600 0.039 0.000 1.049 15 K CA 2.014 58.303 56.287 0.002 0.000 0.929 15 K CB -0.766 31.721 32.500 -0.022 0.000 0.714 15 K HN 0.457 nan 8.250 nan 0.000 0.440 16 M N 0.787 120.410 119.600 0.039 0.000 2.143 16 M HA -0.215 4.265 4.480 0.000 0.000 0.258 16 M C 2.108 178.428 176.300 0.034 0.000 1.071 16 M CA 1.443 56.773 55.300 0.051 0.000 1.088 16 M CB -0.082 32.543 32.600 0.042 0.000 1.360 16 M HN 0.115 nan 8.290 nan 0.000 0.404 17 L N 0.223 121.459 121.223 0.022 0.000 2.109 17 L HA -0.096 4.244 4.340 0.000 0.000 0.207 17 L C 2.194 179.075 176.870 0.018 0.000 1.086 17 L CA 1.665 56.516 54.840 0.017 0.000 0.760 17 L CB -0.549 41.517 42.059 0.011 0.000 0.910 17 L HN 0.200 nan 8.230 nan 0.000 0.437 18 R N -0.277 120.234 120.500 0.019 0.000 2.105 18 R HA -0.127 4.213 4.340 0.000 0.000 0.239 18 R C 2.205 178.518 176.300 0.022 0.000 1.135 18 R CA 1.231 57.343 56.100 0.019 0.000 0.967 18 R CB -1.054 29.258 30.300 0.020 0.000 0.861 18 R HN 0.587 nan 8.270 nan 0.000 0.442 19 G N 0.658 109.476 108.800 0.030 0.000 2.453 19 G HA2 -0.229 3.731 3.960 0.000 0.000 0.215 19 G HA3 -0.229 3.731 3.960 0.000 0.000 0.215 19 G C 1.490 176.403 174.900 0.021 0.000 1.201 19 G CA 0.942 46.060 45.100 0.029 0.000 0.784 19 G HN 0.134 nan 8.290 nan 0.000 0.545 20 V N 1.559 121.485 119.914 0.021 0.000 2.282 20 V HA -0.309 3.811 4.120 0.000 0.000 0.249 20 V C 2.528 178.630 176.094 0.014 0.000 1.057 20 V CA 2.360 64.670 62.300 0.017 0.000 1.032 20 V CB -0.933 30.901 31.823 0.018 0.000 0.645 20 V HN 0.447 nan 8.190 nan 0.000 0.447 21 N N -0.178 118.530 118.700 0.013 0.000 2.084 21 N HA -0.143 4.597 4.740 0.000 0.000 0.190 21 N C 1.753 177.269 175.510 0.009 0.000 1.030 21 N CA 1.383 54.439 53.050 0.011 0.000 0.849 21 N CB -0.274 38.219 38.487 0.010 0.000 1.012 21 N HN 0.303 nan 8.380 nan 0.000 0.423 22 V N 1.759 121.679 119.914 0.009 0.000 2.255 22 V HA -0.203 3.917 4.120 0.000 0.000 0.247 22 V C 2.224 178.321 176.094 0.005 0.000 1.051 22 V CA 1.250 63.554 62.300 0.007 0.000 1.018 22 V CB -0.651 31.177 31.823 0.007 0.000 0.641 22 V HN 0.378 nan 8.190 nan 0.000 0.445 23 L N 1.117 122.344 121.223 0.006 0.000 1.955 23 L HA -0.159 4.181 4.340 0.000 0.000 0.213 23 L C 2.589 179.462 176.870 0.004 0.000 1.072 23 L CA 2.936 57.778 54.840 0.004 0.000 0.755 23 L CB -1.764 40.297 42.059 0.005 0.000 0.888 23 L HN 0.301 nan 8.230 nan 0.000 0.432 24 A N 0.051 122.875 122.820 0.007 0.000 1.896 24 A HA -0.308 4.012 4.320 0.000 0.000 0.220 24 A C 1.898 179.486 177.584 0.006 0.000 1.206 24 A CA 2.327 54.368 52.037 0.008 0.000 0.647 24 A CB -1.097 17.909 19.000 0.010 0.000 0.828 24 A HN 0.635 nan 8.150 nan 0.000 0.455 25 D N -0.069 120.334 120.400 0.005 0.000 2.123 25 D HA -0.063 4.577 4.640 0.000 0.000 0.196 25 D C 2.135 178.436 176.300 0.002 0.000 0.992 25 D CA 1.636 55.638 54.000 0.004 0.000 0.833 25 D CB -0.569 40.233 40.800 0.003 0.000 0.954 25 D HN 0.492 nan 8.370 nan 0.000 0.455 26 A N 0.353 123.173 122.820 0.000 0.000 2.019 26 A HA -0.095 4.225 4.320 0.000 0.000 0.219 26 A C 2.413 179.995 177.584 -0.002 0.000 1.164 26 A CA 1.002 53.037 52.037 -0.003 0.000 0.644 26 A CB -0.422 18.575 19.000 -0.005 0.000 0.805 26 A HN 0.172 nan 8.150 nan 0.000 0.449 27 V N -0.147 119.767 119.914 0.000 0.000 2.446 27 V HA -0.162 3.958 4.120 0.000 0.000 0.244 27 V C 2.312 178.407 176.094 0.002 0.000 1.039 27 V CA 1.769 64.069 62.300 0.000 0.000 1.045 27 V CB -0.535 31.289 31.823 0.002 0.000 0.681 27 V HN 0.479 nan 8.190 nan 0.000 0.459 28 K N 0.698 121.101 120.400 0.004 0.000 2.089 28 K HA -0.207 4.113 4.320 0.000 0.000 0.210 28 K C 2.082 178.685 176.600 0.005 0.000 1.048 28 K CA 1.968 58.258 56.287 0.006 0.000 0.926 28 K CB -0.673 31.831 32.500 0.006 0.000 0.714 28 K HN 0.574 nan 8.250 nan 0.000 0.448 29 V N -0.273 119.643 119.914 0.002 0.000 2.828 29 V HA -0.172 3.948 4.120 0.000 0.000 0.260 29 V C 1.903 177.998 176.094 0.002 0.000 1.101 29 V CA 2.129 64.430 62.300 0.002 0.000 1.123 29 V CB -1.427 30.396 31.823 -0.000 0.000 0.704 29 V HN 0.377 nan 8.190 nan 0.000 0.493 30 T N -2.225 112.330 114.554 0.002 0.000 3.206 30 T HA 0.405 4.755 4.350 0.000 0.000 0.253 30 T C 0.095 174.797 174.700 0.004 0.000 1.042 30 T CA -0.258 61.843 62.100 0.002 0.000 0.931 30 T CB -0.090 68.778 68.868 -0.000 0.000 1.029 30 T HN 0.374 nan 8.240 nan 0.000 0.564 31 L N 2.078 123.305 121.223 0.006 0.000 2.289 31 L HA 0.716 5.056 4.340 0.000 0.000 0.285 31 L C 0.553 177.428 176.870 0.009 0.000 1.049 31 L CA 1.155 56.000 54.840 0.009 0.000 0.804 31 L CB 0.331 42.397 42.059 0.012 0.000 1.195 31 L HN 0.608 nan 8.230 nan 0.000 0.428 32 G N 4.682 113.487 108.800 0.008 0.000 2.757 32 G HA2 -0.165 3.795 3.960 0.000 0.000 0.638 32 G HA3 -0.165 3.795 3.960 0.000 0.000 0.638 32 G C -2.167 172.733 174.900 -0.001 0.000 1.344 32 G CA -0.311 44.792 45.100 0.006 0.000 0.855 32 G HN 0.571 nan 8.290 nan 0.000 0.537 33 P HA -0.059 nan 4.420 nan 0.000 0.216 33 P C 1.071 178.364 177.300 -0.012 0.000 1.150 33 P CA 1.565 64.655 63.100 -0.016 0.000 0.837 33 P CB 0.023 31.703 31.700 -0.032 0.000 0.786 34 K N 0.387 120.783 120.400 -0.007 0.000 2.627 34 K HA 0.215 4.535 4.320 0.000 0.000 0.212 34 K C 1.191 177.791 176.600 0.001 0.000 1.041 34 K CA -0.337 55.949 56.287 -0.002 0.000 1.205 34 K CB -0.154 32.348 32.500 0.003 0.000 0.936 34 K HN 0.102 nan 8.250 nan 0.000 0.489 35 G N 1.091 109.891 108.800 0.001 0.000 2.664 35 G HA2 0.085 4.045 3.960 0.000 0.000 0.242 35 G HA3 0.085 4.045 3.960 0.000 0.000 0.242 35 G C -0.133 174.767 174.900 -0.000 0.000 1.225 35 G CA -0.350 44.751 45.100 0.001 0.000 0.849 35 G HN 0.234 nan 8.290 nan 0.000 0.581 36 R N -0.178 120.322 120.500 -0.001 0.000 2.939 36 R HA 0.347 4.687 4.340 0.000 0.000 0.254 36 R C -0.638 175.660 176.300 -0.003 0.000 1.123 36 R CA -1.029 55.070 56.100 -0.002 0.000 1.020 36 R CB 1.296 31.595 30.300 -0.002 0.000 1.206 36 R HN 0.478 nan 8.270 nan 0.000 0.491 37 N N -0.095 118.602 118.700 -0.005 0.000 2.472 37 N HA 0.395 5.135 4.740 0.000 0.000 0.289 37 N C -0.921 174.584 175.510 -0.008 0.000 1.156 37 N CA -0.411 52.636 53.050 -0.006 0.000 0.940 37 N CB 1.886 40.369 38.487 -0.007 0.000 1.200 37 N HN 0.117 nan 8.380 nan 0.000 0.511 38 V N 0.882 120.790 119.914 -0.010 0.000 2.715 38 V HA 0.432 4.552 4.120 0.000 0.000 0.310 38 V C -0.085 175.998 176.094 -0.019 0.000 1.054 38 V CA -0.833 61.459 62.300 -0.014 0.000 0.928 38 V CB 2.158 33.973 31.823 -0.013 0.000 1.007 38 V HN 0.287 nan 8.190 nan 0.000 0.437 39 V N 5.357 125.257 119.914 -0.023 0.000 2.398 39 V HA 0.495 4.615 4.120 0.000 0.000 0.286 39 V C -0.373 175.696 176.094 -0.042 0.000 1.026 39 V CA -0.434 61.847 62.300 -0.031 0.000 0.868 39 V CB 1.359 33.164 31.823 -0.031 0.000 0.982 39 V HN 0.620 nan 8.190 nan 0.000 0.443 40 L N 3.755 124.946 121.223 -0.053 0.000 2.305 40 L HA 0.577 4.917 4.340 0.000 0.000 0.284 40 L C -0.039 176.763 176.870 -0.113 0.000 1.013 40 L CA -0.547 54.250 54.840 -0.072 0.000 0.819 40 L CB 1.503 43.525 42.059 -0.062 0.000 1.227 40 L HN 0.480 nan 8.230 nan 0.000 0.417 41 D N 2.792 123.114 120.400 -0.129 0.000 2.371 41 D HA 0.332 4.972 4.640 0.000 0.000 0.242 41 D C -0.652 175.462 176.300 -0.309 0.000 1.218 41 D CA 0.063 53.961 54.000 -0.170 0.000 0.945 41 D CB 0.916 41.639 40.800 -0.129 0.000 1.137 41 D HN 0.398 nan 8.370 nan 0.000 0.464 42 K N -0.070 120.089 120.400 -0.402 0.000 2.589 42 K HA 0.155 4.475 4.320 0.000 0.000 0.253 42 K C 0.696 176.966 176.600 -0.551 0.000 0.974 42 K CA -0.358 55.416 56.287 -0.855 0.000 0.835 42 K CB 1.456 33.388 32.500 -0.948 0.000 1.272 42 K HN 0.319 nan 8.250 nan 0.000 0.444 43 S N 2.908 118.375 115.700 -0.389 0.000 2.368 43 S HA -0.169 4.301 4.470 0.000 0.000 0.225 43 S C 1.622 176.361 174.600 0.233 0.000 1.030 43 S CA 0.963 59.196 58.200 0.055 0.000 0.999 43 S CB -0.584 62.737 63.200 0.202 0.000 0.844 43 S HN 0.509 nan 8.310 nan 0.000 0.459 44 F N 2.856 122.802 119.950 -0.007 0.000 2.448 44 F HA 0.016 4.543 4.527 -0.000 0.000 0.304 44 F C 1.931 177.728 175.800 -0.005 0.000 1.289 44 F CA 0.567 58.563 58.000 -0.006 0.000 1.306 44 F CB -1.848 37.148 39.000 -0.006 0.000 0.875 44 F HN 0.510 nan 8.300 nan 0.000 0.600 45 G N -1.899 107.006 108.800 0.175 0.000 3.137 45 G HA2 0.603 4.563 3.960 0.000 0.000 0.196 45 G HA3 0.603 4.563 3.960 0.000 0.000 0.196 45 G C -0.998 173.904 174.900 0.003 0.000 1.135 45 G CA -0.209 44.935 45.100 0.073 0.000 0.803 45 G HN 0.589 nan 8.290 nan 0.000 0.619 46 A N 0.710 123.532 122.820 0.004 0.000 2.561 46 A HA 0.526 4.846 4.320 0.000 0.000 0.234 46 A C -1.819 175.735 177.584 -0.051 0.000 1.055 46 A CA -0.167 51.858 52.037 -0.020 0.000 0.756 46 A CB -0.696 18.300 19.000 -0.007 0.000 0.986 46 A HN 0.352 nan 8.150 nan 0.000 0.505 47 P HA 0.179 nan 4.420 nan 0.000 0.272 47 P C -0.076 177.189 177.300 -0.059 0.000 1.248 47 P CA 0.130 63.178 63.100 -0.087 0.000 0.799 47 P CB 0.379 32.036 31.700 -0.071 0.000 0.997 48 T N 1.167 115.684 114.554 -0.062 0.000 2.779 48 T HA 0.529 4.879 4.350 0.000 0.000 0.280 48 T C -0.074 174.608 174.700 -0.030 0.000 0.987 48 T CA -0.317 61.762 62.100 -0.036 0.000 0.966 48 T CB -0.036 68.810 68.868 -0.036 0.000 0.933 48 T HN 0.121 nan 8.240 nan 0.000 0.442 49 I N 3.113 123.671 120.570 -0.019 0.000 2.315 49 I HA 0.504 4.674 4.170 0.000 0.000 0.291 49 I C 0.566 176.678 176.117 -0.010 0.000 1.006 49 I CA -0.297 60.994 61.300 -0.015 0.000 1.265 49 I CB 1.564 39.556 38.000 -0.012 0.000 1.387 49 I HN 0.438 nan 8.210 nan 0.000 0.475 50 T N 4.380 118.928 114.554 -0.010 0.000 2.900 50 T HA 0.314 4.664 4.350 0.000 0.000 0.303 50 T C 0.040 174.736 174.700 -0.005 0.000 1.142 50 T CA -0.620 61.476 62.100 -0.006 0.000 1.007 50 T CB 1.776 70.641 68.868 -0.005 0.000 1.156 50 T HN 0.692 nan 8.240 nan 0.000 0.490 51 K N 1.293 121.691 120.400 -0.003 0.000 2.373 51 K HA 0.198 4.518 4.320 0.000 0.000 0.202 51 K C -0.454 176.145 176.600 -0.002 0.000 1.025 51 K CA -0.097 56.188 56.287 -0.002 0.000 1.115 51 K CB 0.341 32.840 32.500 -0.001 0.000 0.858 51 K HN 0.501 nan 8.250 nan 0.000 0.525 52 D N -0.474 119.924 120.400 -0.004 0.000 2.428 52 D HA 0.151 4.791 4.640 0.000 0.000 0.221 52 D C 1.178 177.473 176.300 -0.008 0.000 1.123 52 D CA -0.190 53.807 54.000 -0.006 0.000 0.869 52 D CB 1.230 42.026 40.800 -0.006 0.000 1.032 52 D HN 0.182 nan 8.370 nan 0.000 0.506 53 G N 2.616 111.411 108.800 -0.007 0.000 2.556 53 G HA2 -0.316 3.644 3.960 0.000 0.000 0.220 53 G HA3 -0.316 3.644 3.960 0.000 0.000 0.220 53 G C 1.508 176.402 174.900 -0.010 0.000 1.156 53 G CA 1.020 46.116 45.100 -0.006 0.000 0.766 53 G HN 0.512 nan 8.290 nan 0.000 0.583 54 V N 0.274 120.179 119.914 -0.016 0.000 2.515 54 V HA -0.113 4.007 4.120 0.000 0.000 0.250 54 V C 2.892 178.977 176.094 -0.016 0.000 1.058 54 V CA 2.735 65.022 62.300 -0.021 0.000 1.064 54 V CB -0.305 31.497 31.823 -0.034 0.000 0.675 54 V HN 0.346 nan 8.190 nan 0.000 0.461 55 S N -0.404 115.288 115.700 -0.012 0.000 2.355 55 S HA -0.147 4.323 4.470 0.000 0.000 0.222 55 S C 1.852 176.448 174.600 -0.007 0.000 1.031 55 S CA 1.630 59.826 58.200 -0.007 0.000 0.993 55 S CB -0.123 63.074 63.200 -0.004 0.000 0.859 55 S HN 0.513 nan 8.310 nan 0.000 0.453 56 V N 2.076 121.985 119.914 -0.009 0.000 2.295 56 V HA -0.211 3.909 4.120 0.000 0.000 0.246 56 V C 2.629 178.718 176.094 -0.009 0.000 1.049 56 V CA 1.731 64.025 62.300 -0.010 0.000 1.024 56 V CB -1.299 30.518 31.823 -0.009 0.000 0.648 56 V HN 0.527 nan 8.190 nan 0.000 0.447 57 A N 0.627 123.442 122.820 -0.008 0.000 1.859 57 A HA -0.268 4.052 4.320 0.000 0.000 0.217 57 A C 2.275 179.854 177.584 -0.007 0.000 1.198 57 A CA 2.094 54.127 52.037 -0.008 0.000 0.629 57 A CB -0.663 18.331 19.000 -0.009 0.000 0.830 57 A HN 0.500 nan 8.150 nan 0.000 0.446 58 R N -0.290 120.205 120.500 -0.007 0.000 2.244 58 R HA -0.164 4.176 4.340 0.000 0.000 0.252 58 R C 1.285 177.586 176.300 0.001 0.000 1.177 58 R CA 1.369 57.467 56.100 -0.003 0.000 1.004 58 R CB -0.499 29.801 30.300 0.001 0.000 0.873 58 R HN 0.565 nan 8.270 nan 0.000 0.469 59 E N 0.294 120.493 120.200 -0.003 0.000 2.385 59 E HA 0.078 4.428 4.350 0.000 0.000 0.194 59 E C 0.632 177.227 176.600 -0.007 0.000 1.013 59 E CA 0.137 56.534 56.400 -0.006 0.000 0.866 59 E CB 0.241 29.931 29.700 -0.017 0.000 0.832 59 E HN 0.152 nan 8.360 nan 0.000 0.500 60 I N 2.026 122.592 120.570 -0.006 0.000 2.416 60 I HA 0.165 4.335 4.170 0.000 0.000 0.288 60 I C 0.399 176.513 176.117 -0.005 0.000 1.051 60 I CA 0.099 61.395 61.300 -0.006 0.000 1.375 60 I CB 0.447 38.444 38.000 -0.004 0.000 1.407 60 I HN -0.047 nan 8.210 nan 0.000 0.516 61 E N 6.177 126.374 120.200 -0.005 0.000 2.321 61 E HA 0.487 4.837 4.350 0.000 0.000 0.278 61 E C -1.936 174.660 176.600 -0.006 0.000 0.902 61 E CA -0.659 55.737 56.400 -0.006 0.000 0.758 61 E CB 2.136 31.832 29.700 -0.007 0.000 1.213 61 E HN 0.228 nan 8.360 nan 0.000 0.426 62 L N 3.038 124.258 121.223 -0.005 0.000 2.313 62 L HA 0.337 4.677 4.340 0.000 0.000 0.268 62 L C 1.321 178.189 176.870 -0.004 0.000 1.010 62 L CA -0.069 54.771 54.840 -0.001 0.000 0.814 62 L CB 1.342 43.406 42.059 0.008 0.000 1.304 62 L HN 0.873 nan 8.230 nan 0.000 0.441 63 E N -0.003 120.198 120.200 0.001 0.000 2.086 63 E HA -0.109 4.241 4.350 0.000 0.000 0.190 63 E C 0.230 176.830 176.600 0.000 0.000 0.975 63 E CA 0.334 56.733 56.400 -0.002 0.000 0.813 63 E CB 0.142 29.843 29.700 0.002 0.000 0.768 63 E HN 0.630 nan 8.360 nan 0.000 0.457 64 D N 1.051 121.462 120.400 0.019 0.000 2.389 64 D HA -0.071 4.569 4.640 0.000 0.000 0.263 64 D C 0.585 176.895 176.300 0.016 0.000 1.255 64 D CA 0.045 54.072 54.000 0.045 0.000 0.914 64 D CB 0.729 41.577 40.800 0.081 0.000 1.116 64 D HN 0.082 nan 8.370 nan 0.000 0.502 65 K N 3.386 123.752 120.400 -0.056 0.000 2.160 65 K HA -0.186 4.134 4.320 0.000 0.000 0.206 65 K C 1.692 178.150 176.600 -0.236 0.000 1.047 65 K CA 1.161 57.330 56.287 -0.196 0.000 0.930 65 K CB -0.199 32.092 32.500 -0.349 0.000 0.720 65 K HN 0.506 nan 8.250 nan 0.000 0.450 66 F N 1.108 121.047 119.950 -0.018 0.000 2.219 66 F HA -0.003 4.524 4.527 0.000 0.000 0.294 66 F C 2.386 178.177 175.800 -0.015 0.000 1.086 66 F CA 0.757 58.745 58.000 -0.021 0.000 1.330 66 F CB -0.337 38.650 39.000 -0.022 0.000 1.047 66 F HN 0.066 nan 8.300 nan 0.000 0.495 67 E N 0.144 120.452 120.200 0.181 0.000 2.085 67 E HA -0.269 4.081 4.350 0.000 0.000 0.194 67 E C 1.869 178.502 176.600 0.055 0.000 0.994 67 E CA 1.358 57.816 56.400 0.096 0.000 0.801 67 E CB -0.302 29.440 29.700 0.071 0.000 0.743 67 E HN 0.267 nan 8.360 nan 0.000 0.453 68 N N 0.545 119.263 118.700 0.030 0.000 2.061 68 N HA -0.196 4.544 4.740 0.000 0.000 0.193 68 N C 1.737 177.247 175.510 -0.001 0.000 1.030 68 N CA 1.519 54.570 53.050 0.001 0.000 0.856 68 N CB -0.046 38.426 38.487 -0.026 0.000 1.023 68 N HN 0.080 nan 8.380 nan 0.000 0.424 69 M N -0.580 119.018 119.600 -0.002 0.000 2.108 69 M HA -0.098 4.382 4.480 0.000 0.000 0.261 69 M C 2.167 178.481 176.300 0.023 0.000 1.066 69 M CA 1.795 57.097 55.300 0.003 0.000 1.107 69 M CB -0.719 31.888 32.600 0.010 0.000 1.356 69 M HN 0.349 nan 8.290 nan 0.000 0.406 70 G N -0.050 108.776 108.800 0.042 0.000 2.514 70 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 70 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 70 G C 1.582 176.495 174.900 0.022 0.000 1.198 70 G CA 1.261 46.383 45.100 0.036 0.000 0.780 70 G HN 0.568 nan 8.290 nan 0.000 0.565 71 A N -0.483 122.348 122.820 0.018 0.000 1.933 71 A HA -0.067 4.253 4.320 0.000 0.000 0.218 71 A C 2.356 179.943 177.584 0.005 0.000 1.175 71 A CA 1.967 54.010 52.037 0.011 0.000 0.628 71 A CB -0.322 18.683 19.000 0.008 0.000 0.814 71 A HN 0.354 nan 8.150 nan 0.000 0.444 72 Q N -1.058 118.743 119.800 0.001 0.000 2.369 72 Q HA 0.039 4.379 4.340 0.000 0.000 0.206 72 Q C 1.964 177.962 176.000 -0.003 0.000 0.963 72 Q CA 0.864 56.664 55.803 -0.004 0.000 0.894 72 Q CB -0.191 28.540 28.738 -0.011 0.000 0.965 72 Q HN 0.778 nan 8.270 nan 0.000 0.475 73 M N -0.403 119.199 119.600 0.004 0.000 2.171 73 M HA -0.104 4.376 4.480 0.000 0.000 0.260 73 M C 2.235 178.540 176.300 0.008 0.000 1.087 73 M CA 1.000 56.304 55.300 0.007 0.000 1.154 73 M CB -0.264 32.344 32.600 0.013 0.000 1.331 73 M HN 0.008 nan 8.290 nan 0.000 0.431 74 V N -0.412 119.510 119.914 0.012 0.000 2.453 74 V HA -0.285 3.835 4.120 0.000 0.000 0.252 74 V C 2.114 178.211 176.094 0.006 0.000 1.068 74 V CA 1.953 64.261 62.300 0.013 0.000 1.070 74 V CB -1.398 30.434 31.823 0.015 0.000 0.664 74 V HN 0.504 nan 8.190 nan 0.000 0.461 75 K N 0.396 120.796 120.400 0.000 0.000 2.293 75 K HA -0.294 4.026 4.320 0.000 0.000 0.204 75 K C 2.202 178.791 176.600 -0.018 0.000 1.045 75 K CA 2.074 58.356 56.287 -0.008 0.000 0.933 75 K CB -0.140 32.354 32.500 -0.009 0.000 0.736 75 K HN 0.720 nan 8.250 nan 0.000 0.463 76 E N 0.119 120.308 120.200 -0.018 0.000 2.299 76 E HA -0.103 4.247 4.350 0.000 0.000 0.193 76 E C 1.826 178.395 176.600 -0.052 0.000 0.998 76 E CA 0.542 56.920 56.400 -0.037 0.000 0.851 76 E CB 0.254 29.936 29.700 -0.029 0.000 0.795 76 E HN 0.278 nan 8.360 nan 0.000 0.492 77 V N 0.144 120.050 119.914 -0.013 0.000 2.244 77 V HA -0.146 3.974 4.120 0.000 0.000 0.244 77 V C 2.247 178.329 176.094 -0.020 0.000 1.042 77 V CA 2.020 64.328 62.300 0.014 0.000 1.006 77 V CB -0.651 31.209 31.823 0.063 0.000 0.641 77 V HN 0.258 nan 8.190 nan 0.000 0.446 78 A N 0.004 122.816 122.820 -0.012 0.000 1.948 78 A HA -0.238 4.082 4.320 0.000 0.000 0.220 78 A C 2.630 180.182 177.584 -0.053 0.000 1.177 78 A CA 2.806 54.831 52.037 -0.019 0.000 0.636 78 A CB -1.181 17.812 19.000 -0.013 0.000 0.815 78 A HN 0.841 nan 8.150 nan 0.000 0.449 79 S N -1.169 114.488 115.700 -0.071 0.000 2.371 79 S HA -0.117 4.353 4.470 0.000 0.000 0.224 79 S C 2.176 176.683 174.600 -0.155 0.000 1.029 79 S CA 1.438 59.583 58.200 -0.092 0.000 0.978 79 S CB -0.254 62.901 63.200 -0.076 0.000 0.833 79 S HN 0.447 nan 8.310 nan 0.000 0.466 80 K N 1.251 121.500 120.400 -0.251 0.000 2.025 80 K HA 0.109 4.429 4.320 0.000 0.000 0.207 80 K C 2.403 178.690 176.600 -0.522 0.000 1.049 80 K CA 1.154 57.150 56.287 -0.484 0.000 0.933 80 K CB -1.042 30.974 32.500 -0.808 0.000 0.714 80 K HN 0.412 nan 8.250 nan 0.000 0.438 81 A N 2.220 124.830 122.820 -0.350 0.000 1.954 81 A HA -0.283 4.037 4.320 0.000 0.000 0.222 81 A C 2.008 179.566 177.584 -0.043 0.000 1.199 81 A CA 2.342 54.363 52.037 -0.027 0.000 0.657 81 A CB -0.850 18.187 19.000 0.061 0.000 0.823 81 A HN 0.552 nan 8.150 nan 0.000 0.463 82 N N -1.151 117.493 118.700 -0.093 0.000 2.250 82 N HA -0.136 4.604 4.740 0.000 0.000 0.181 82 N C 0.770 176.217 175.510 -0.106 0.000 1.017 82 N CA 1.271 54.263 53.050 -0.097 0.000 0.866 82 N CB -0.140 38.291 38.487 -0.094 0.000 0.985 82 N HN 0.380 nan 8.380 nan 0.000 0.429 83 D N 0.551 120.887 120.400 -0.107 0.000 2.269 83 D HA 0.008 4.648 4.640 0.000 0.000 0.208 83 D C 1.656 177.937 176.300 -0.031 0.000 0.963 83 D CA 0.461 54.417 54.000 -0.072 0.000 0.864 83 D CB 0.007 40.755 40.800 -0.087 0.000 0.936 83 D HN 0.373 nan 8.370 nan 0.000 0.505 84 A N 0.399 123.203 122.820 -0.027 0.000 1.874 84 A HA 0.296 4.616 4.320 0.000 0.000 0.214 84 A C 1.876 179.510 177.584 0.083 0.000 1.189 84 A CA 1.653 53.733 52.037 0.071 0.000 0.615 84 A CB 0.077 19.209 19.000 0.221 0.000 0.830 84 A HN 0.191 nan 8.150 nan 0.000 0.443 85 A N -2.664 120.190 122.820 0.056 0.000 2.671 85 A HA 0.477 4.797 4.320 0.000 0.000 0.265 85 A C 1.389 178.966 177.584 -0.012 0.000 1.148 85 A CA 0.958 53.033 52.037 0.062 0.000 0.977 85 A CB -0.518 18.528 19.000 0.077 0.000 1.242 85 A HN 1.905 nan 8.150 nan 0.000 0.591 86 G N -0.070 108.641 108.800 -0.148 0.000 2.321 86 G HA2 -0.177 3.783 3.960 0.000 0.000 0.287 86 G HA3 -0.177 3.783 3.960 0.000 0.000 0.287 86 G C -0.200 174.589 174.900 -0.186 0.000 1.018 86 G CA 0.917 45.791 45.100 -0.375 0.000 0.855 86 G HN 0.738 nan 8.290 nan 0.000 0.507 87 D N -2.485 117.877 120.400 -0.064 0.000 2.683 87 D HA 0.518 5.158 4.640 0.000 0.000 0.246 87 D C 0.813 177.118 176.300 0.007 0.000 1.238 87 D CA 0.921 54.910 54.000 -0.017 0.000 0.759 87 D CB 0.624 41.433 40.800 0.016 0.000 1.349 87 D HN 1.259 nan 8.370 nan 0.000 0.426 88 G N 0.550 109.357 108.800 0.013 0.000 2.175 88 G HA2 -0.324 3.636 3.960 0.000 0.000 0.244 88 G HA3 -0.324 3.636 3.960 0.000 0.000 0.244 88 G C 1.034 175.950 174.900 0.027 0.000 0.982 88 G CA 1.620 46.735 45.100 0.025 0.000 0.641 88 G HN 0.841 nan 8.290 nan 0.000 0.527 89 T N -2.134 112.428 114.554 0.012 0.000 2.720 89 T HA -0.125 4.225 4.350 0.000 0.000 0.268 89 T C 2.233 176.941 174.700 0.013 0.000 1.037 89 T CA 2.602 64.708 62.100 0.009 0.000 1.144 89 T CB -0.734 68.127 68.868 -0.012 0.000 0.864 89 T HN 0.367 nan 8.240 nan 0.000 0.444 90 T N 1.847 116.407 114.554 0.010 0.000 2.746 90 T HA -0.089 4.261 4.350 0.000 0.000 0.267 90 T C 2.248 176.958 174.700 0.017 0.000 1.039 90 T CA 1.795 63.902 62.100 0.011 0.000 1.142 90 T CB -0.940 67.933 68.868 0.008 0.000 0.866 90 T HN 0.524 nan 8.240 nan 0.000 0.444 91 T N 2.188 116.754 114.554 0.021 0.000 2.643 91 T HA -0.064 4.286 4.350 0.000 0.000 0.264 91 T C 2.410 177.128 174.700 0.030 0.000 1.045 91 T CA 1.281 63.396 62.100 0.024 0.000 1.155 91 T CB -0.785 68.099 68.868 0.026 0.000 0.863 91 T HN 0.435 nan 8.240 nan 0.000 0.420 92 A N 1.547 124.391 122.820 0.040 0.000 1.870 92 A HA -0.274 4.046 4.320 0.000 0.000 0.219 92 A C 2.541 180.150 177.584 0.042 0.000 1.224 92 A CA 2.814 54.884 52.037 0.055 0.000 0.650 92 A CB -1.667 17.380 19.000 0.079 0.000 0.836 92 A HN 0.490 nan 8.150 nan 0.000 0.454 93 T N -0.441 114.131 114.554 0.032 0.000 2.649 93 T HA -0.203 4.147 4.350 0.000 0.000 0.268 93 T C 1.853 176.566 174.700 0.022 0.000 1.036 93 T CA 1.936 64.050 62.100 0.024 0.000 1.157 93 T CB -0.659 68.219 68.868 0.015 0.000 0.861 93 T HN 0.198 nan 8.240 nan 0.000 0.445 94 V N 1.171 121.097 119.914 0.020 0.000 2.332 94 V HA -0.141 3.979 4.120 0.000 0.000 0.248 94 V C 2.488 178.594 176.094 0.019 0.000 1.055 94 V CA 1.544 63.855 62.300 0.018 0.000 1.038 94 V CB -0.649 31.184 31.823 0.017 0.000 0.651 94 V HN 0.445 nan 8.190 nan 0.000 0.450 95 L N -0.204 121.033 121.223 0.023 0.000 2.083 95 L HA -0.162 4.178 4.340 0.000 0.000 0.209 95 L C 2.690 179.574 176.870 0.023 0.000 1.083 95 L CA 1.540 56.393 54.840 0.022 0.000 0.752 95 L CB -0.707 41.366 42.059 0.024 0.000 0.899 95 L HN 0.374 nan 8.230 nan 0.000 0.433 96 A N 0.187 123.023 122.820 0.027 0.000 1.873 96 A HA -0.277 4.043 4.320 0.000 0.000 0.215 96 A C 2.192 179.790 177.584 0.022 0.000 1.186 96 A CA 1.658 53.711 52.037 0.028 0.000 0.616 96 A CB -0.654 18.366 19.000 0.034 0.000 0.823 96 A HN 0.515 nan 8.150 nan 0.000 0.442 97 Q N -0.071 119.741 119.800 0.019 0.000 2.308 97 Q HA -0.040 4.300 4.340 0.000 0.000 0.209 97 Q C 1.653 177.662 176.000 0.015 0.000 0.985 97 Q CA 2.209 58.022 55.803 0.016 0.000 0.881 97 Q CB -0.382 28.365 28.738 0.014 0.000 0.917 97 Q HN 0.528 nan 8.270 nan 0.000 0.443 98 A N 0.440 123.269 122.820 0.015 0.000 1.901 98 A HA 0.116 4.436 4.320 0.000 0.000 0.210 98 A C 2.050 179.641 177.584 0.013 0.000 1.208 98 A CA 0.716 52.761 52.037 0.013 0.000 0.644 98 A CB -0.361 18.647 19.000 0.013 0.000 0.863 98 A HN 0.413 nan 8.150 nan 0.000 0.454 99 I N 0.124 120.703 120.570 0.014 0.000 2.163 99 I HA -0.299 3.871 4.170 0.000 0.000 0.243 99 I C 2.314 178.440 176.117 0.014 0.000 1.085 99 I CA 1.601 62.910 61.300 0.014 0.000 1.347 99 I CB -0.564 37.446 38.000 0.016 0.000 1.044 99 I HN 0.283 nan 8.210 nan 0.000 0.408 100 I N 0.459 121.038 120.570 0.016 0.000 2.163 100 I HA -0.283 3.887 4.170 0.000 0.000 0.243 100 I C 2.645 178.770 176.117 0.013 0.000 1.085 100 I CA 1.672 62.981 61.300 0.015 0.000 1.347 100 I CB -0.680 37.330 38.000 0.017 0.000 1.044 100 I HN 0.217 nan 8.210 nan 0.000 0.408 101 T N 0.039 114.600 114.554 0.012 0.000 2.652 101 T HA -0.185 4.165 4.350 0.000 0.000 0.267 101 T C 1.891 176.596 174.700 0.009 0.000 1.039 101 T CA 1.431 63.537 62.100 0.010 0.000 1.153 101 T CB -0.167 68.706 68.868 0.009 0.000 0.863 101 T HN 0.245 nan 8.240 nan 0.000 0.428 102 E N 0.578 120.784 120.200 0.009 0.000 2.028 102 E HA -0.002 4.348 4.350 0.000 0.000 0.191 102 E C 2.525 179.130 176.600 0.008 0.000 0.988 102 E CA 1.208 57.613 56.400 0.008 0.000 0.799 102 E CB -1.119 28.586 29.700 0.008 0.000 0.755 102 E HN 0.513 nan 8.360 nan 0.000 0.447 103 G N 1.701 110.507 108.800 0.009 0.000 2.553 103 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 103 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 103 G C 1.724 176.630 174.900 0.010 0.000 1.195 103 G CA 1.159 46.265 45.100 0.010 0.000 0.779 103 G HN 0.244 nan 8.290 nan 0.000 0.577 104 L N 0.148 121.377 121.223 0.010 0.000 2.129 104 L HA -0.124 4.216 4.340 0.000 0.000 0.212 104 L C 2.855 179.729 176.870 0.008 0.000 1.087 104 L CA 1.707 56.553 54.840 0.010 0.000 0.757 104 L CB -0.368 41.696 42.059 0.010 0.000 0.896 104 L HN 0.286 nan 8.230 nan 0.000 0.434 105 K N 0.141 120.545 120.400 0.007 0.000 2.148 105 K HA -0.124 4.196 4.320 0.000 0.000 0.204 105 K C 2.067 178.670 176.600 0.005 0.000 1.050 105 K CA 1.130 57.420 56.287 0.005 0.000 0.942 105 K CB 0.028 32.530 32.500 0.005 0.000 0.724 105 K HN 0.276 nan 8.250 nan 0.000 0.446 106 A N 0.287 123.111 122.820 0.006 0.000 2.016 106 A HA -0.014 4.306 4.320 0.000 0.000 0.217 106 A C 2.041 179.629 177.584 0.006 0.000 1.162 106 A CA 0.756 52.796 52.037 0.005 0.000 0.662 106 A CB -0.180 18.823 19.000 0.006 0.000 0.812 106 A HN 0.131 nan 8.150 nan 0.000 0.450 107 V N -0.026 119.893 119.914 0.008 0.000 2.490 107 V HA -0.239 3.881 4.120 0.000 0.000 0.250 107 V C 2.903 179.001 176.094 0.007 0.000 1.061 107 V CA 1.815 64.121 62.300 0.009 0.000 1.064 107 V CB -1.075 30.755 31.823 0.011 0.000 0.670 107 V HN 0.574 nan 8.190 nan 0.000 0.461 108 A N -0.224 122.599 122.820 0.006 0.000 2.119 108 A HA 0.160 4.480 4.320 0.000 0.000 0.217 108 A C 2.251 179.836 177.584 0.002 0.000 1.153 108 A CA 1.343 53.382 52.037 0.004 0.000 0.692 108 A CB -0.402 18.600 19.000 0.003 0.000 0.799 108 A HN 0.546 nan 8.150 nan 0.000 0.458 109 A N -1.666 121.156 122.820 0.003 0.000 2.169 109 A HA 0.404 4.724 4.320 0.000 0.000 0.212 109 A C 1.713 179.298 177.584 0.002 0.000 1.153 109 A CA 1.249 53.287 52.037 0.002 0.000 0.756 109 A CB -0.639 18.363 19.000 0.002 0.000 0.813 109 A HN 1.773 nan 8.150 nan 0.000 0.471 110 G N -1.825 106.977 108.800 0.003 0.000 2.134 110 G HA2 -0.200 3.760 3.960 0.000 0.000 0.209 110 G HA3 -0.200 3.760 3.960 0.000 0.000 0.209 110 G C 0.108 175.010 174.900 0.003 0.000 0.993 110 G CA 0.156 45.258 45.100 0.003 0.000 0.669 110 G HN 0.342 nan 8.290 nan 0.000 0.519 111 M N 0.459 120.062 119.600 0.004 0.000 2.226 111 M HA 0.279 4.759 4.480 0.000 0.000 0.324 111 M C 0.830 177.134 176.300 0.007 0.000 1.112 111 M CA -0.385 54.918 55.300 0.005 0.000 1.176 111 M CB 0.354 32.957 32.600 0.005 0.000 1.430 111 M HN 0.221 nan 8.290 nan 0.000 0.462 112 N N 2.209 120.914 118.700 0.007 0.000 2.401 112 N HA 0.193 4.933 4.740 0.000 0.000 0.255 112 N C -2.273 173.243 175.510 0.010 0.000 1.110 112 N CA -1.886 51.169 53.050 0.009 0.000 0.949 112 N CB 0.840 39.331 38.487 0.008 0.000 1.110 112 N HN 0.182 nan 8.380 nan 0.000 0.490 113 P HA -0.156 nan 4.420 nan 0.000 0.216 113 P C 1.538 178.846 177.300 0.014 0.000 1.150 113 P CA 1.141 64.249 63.100 0.014 0.000 0.837 113 P CB 0.153 31.863 31.700 0.017 0.000 0.786 114 M N -0.748 118.860 119.600 0.014 0.000 2.279 114 M HA -0.132 4.348 4.480 0.000 0.000 0.264 114 M C 1.204 177.510 176.300 0.011 0.000 1.062 114 M CA 1.632 56.940 55.300 0.013 0.000 1.099 114 M CB -1.432 31.175 32.600 0.013 0.000 1.394 114 M HN -0.052 nan 8.290 nan 0.000 0.426 115 D N -0.217 120.189 120.400 0.010 0.000 2.162 115 D HA 0.002 4.642 4.640 0.000 0.000 0.203 115 D C 2.218 178.523 176.300 0.008 0.000 0.967 115 D CA 0.626 54.630 54.000 0.008 0.000 0.840 115 D CB 0.001 40.805 40.800 0.007 0.000 0.972 115 D HN 0.297 nan 8.370 nan 0.000 0.482 116 L N 0.854 122.082 121.223 0.009 0.000 2.042 116 L HA -0.212 4.128 4.340 0.000 0.000 0.210 116 L C 2.503 179.378 176.870 0.009 0.000 1.076 116 L CA 1.282 56.127 54.840 0.009 0.000 0.749 116 L CB -0.342 41.723 42.059 0.010 0.000 0.893 116 L HN 0.036 nan 8.230 nan 0.000 0.432 117 K N 0.284 120.690 120.400 0.010 0.000 1.991 117 K HA -0.204 4.116 4.320 0.000 0.000 0.212 117 K C 2.274 178.879 176.600 0.009 0.000 1.049 117 K CA 1.368 57.662 56.287 0.011 0.000 0.932 117 K CB -0.064 32.444 32.500 0.013 0.000 0.717 117 K HN 0.153 nan 8.250 nan 0.000 0.441 118 R N -0.191 120.313 120.500 0.008 0.000 2.096 118 R HA -0.152 4.188 4.340 0.000 0.000 0.240 118 R C 2.490 178.792 176.300 0.005 0.000 1.139 118 R CA 1.616 57.720 56.100 0.006 0.000 0.952 118 R CB -0.814 29.489 30.300 0.006 0.000 0.854 118 R HN 0.482 nan 8.270 nan 0.000 0.436 119 G N 1.456 110.259 108.800 0.005 0.000 2.433 119 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 119 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 119 G C 1.509 176.411 174.900 0.003 0.000 1.186 119 G CA 0.764 45.866 45.100 0.004 0.000 0.779 119 G HN 0.173 nan 8.290 nan 0.000 0.543 120 I N 1.219 121.792 120.570 0.005 0.000 2.145 120 I HA -0.223 3.947 4.170 0.000 0.000 0.244 120 I C 2.384 178.501 176.117 0.001 0.000 1.075 120 I CA 1.619 62.922 61.300 0.004 0.000 1.332 120 I CB -0.167 37.837 38.000 0.007 0.000 1.033 120 I HN 0.086 nan 8.210 nan 0.000 0.410 121 D N 0.461 120.862 120.400 0.002 0.000 2.097 121 D HA -0.200 4.440 4.640 0.000 0.000 0.197 121 D C 2.067 178.365 176.300 -0.004 0.000 0.984 121 D CA 1.206 55.205 54.000 -0.002 0.000 0.826 121 D CB -0.240 40.560 40.800 0.001 0.000 0.973 121 D HN 0.303 nan 8.370 nan 0.000 0.460 122 K N 1.065 121.464 120.400 -0.002 0.000 2.009 122 K HA -0.160 4.160 4.320 0.000 0.000 0.210 122 K C 2.089 178.686 176.600 -0.003 0.000 1.049 122 K CA 1.628 57.914 56.287 -0.002 0.000 0.929 122 K CB -0.204 32.295 32.500 -0.000 0.000 0.714 122 K HN 0.002 nan 8.250 nan 0.000 0.440 123 A N 0.545 123.363 122.820 -0.002 0.000 1.915 123 A HA -0.215 4.105 4.320 0.000 0.000 0.220 123 A C 2.310 179.891 177.584 -0.006 0.000 1.198 123 A CA 2.291 54.327 52.037 -0.002 0.000 0.647 123 A CB -1.000 18.000 19.000 -0.000 0.000 0.825 123 A HN 0.230 nan 8.150 nan 0.000 0.456 124 V N -0.533 119.376 119.914 -0.009 0.000 2.379 124 V HA -0.194 3.926 4.120 0.000 0.000 0.245 124 V C 2.714 178.797 176.094 -0.020 0.000 1.044 124 V CA 2.356 64.647 62.300 -0.016 0.000 1.036 124 V CB -1.178 30.633 31.823 -0.020 0.000 0.664 124 V HN 0.654 nan 8.190 nan 0.000 0.453 125 T N 0.511 115.054 114.554 -0.017 0.000 2.803 125 T HA -0.178 4.172 4.350 0.000 0.000 0.269 125 T C 1.989 176.680 174.700 -0.014 0.000 1.052 125 T CA 1.582 63.672 62.100 -0.018 0.000 1.136 125 T CB -0.356 68.505 68.868 -0.012 0.000 0.864 125 T HN 0.567 nan 8.240 nan 0.000 0.467 126 A N 1.421 124.235 122.820 -0.010 0.000 1.872 126 A HA 0.345 4.665 4.320 0.000 0.000 0.214 126 A C 2.697 180.277 177.584 -0.007 0.000 1.187 126 A CA 1.459 53.492 52.037 -0.007 0.000 0.614 126 A CB -1.146 17.851 19.000 -0.004 0.000 0.826 126 A HN 0.483 nan 8.150 nan 0.000 0.442 127 A N -0.402 122.413 122.820 -0.009 0.000 1.940 127 A HA -0.055 4.265 4.320 0.000 0.000 0.219 127 A C 2.209 179.786 177.584 -0.012 0.000 1.176 127 A CA 1.954 53.986 52.037 -0.008 0.000 0.631 127 A CB -0.920 18.074 19.000 -0.009 0.000 0.814 127 A HN 0.398 nan 8.150 nan 0.000 0.446 128 V N -0.162 119.740 119.914 -0.019 0.000 2.358 128 V HA -0.182 3.938 4.120 0.000 0.000 0.246 128 V C 2.593 178.678 176.094 -0.015 0.000 1.047 128 V CA 2.081 64.367 62.300 -0.023 0.000 1.035 128 V CB -0.708 31.093 31.823 -0.035 0.000 0.658 128 V HN 0.458 nan 8.190 nan 0.000 0.452 129 E N 0.028 120.221 120.200 -0.012 0.000 2.058 129 E HA -0.192 4.158 4.350 0.000 0.000 0.194 129 E C 2.317 178.915 176.600 -0.004 0.000 0.997 129 E CA 1.079 57.475 56.400 -0.007 0.000 0.801 129 E CB -0.364 29.332 29.700 -0.006 0.000 0.746 129 E HN 0.491 nan 8.360 nan 0.000 0.450 130 E N 0.338 120.536 120.200 -0.003 0.000 2.085 130 E HA -0.145 4.205 4.350 0.000 0.000 0.194 130 E C 2.375 178.976 176.600 0.002 0.000 0.994 130 E CA 0.604 57.005 56.400 0.001 0.000 0.801 130 E CB -0.345 29.357 29.700 0.002 0.000 0.743 130 E HN 0.285 nan 8.360 nan 0.000 0.453 131 L N 0.592 121.815 121.223 -0.001 0.000 2.046 131 L HA -0.179 4.161 4.340 0.000 0.000 0.208 131 L C 2.419 179.289 176.870 0.001 0.000 1.077 131 L CA 1.259 56.100 54.840 0.001 0.000 0.747 131 L CB -0.309 41.748 42.059 -0.003 0.000 0.896 131 L HN 0.031 nan 8.230 nan 0.000 0.432 132 K N -0.159 120.240 120.400 -0.001 0.000 2.280 132 K HA -0.097 4.223 4.320 0.000 0.000 0.202 132 K C 2.062 178.663 176.600 0.003 0.000 1.047 132 K CA 1.087 57.373 56.287 -0.000 0.000 0.942 132 K CB -0.100 32.398 32.500 -0.002 0.000 0.739 132 K HN 0.311 nan 8.250 nan 0.000 0.457 133 A N 0.543 123.365 122.820 0.003 0.000 1.975 133 A HA -0.024 4.296 4.320 0.000 0.000 0.215 133 A C 1.856 179.445 177.584 0.007 0.000 1.170 133 A CA 0.710 52.749 52.037 0.005 0.000 0.656 133 A CB -0.072 18.930 19.000 0.004 0.000 0.821 133 A HN 0.096 nan 8.150 nan 0.000 0.449 134 L N -0.213 121.015 121.223 0.009 0.000 2.313 134 L HA 0.126 4.466 4.340 0.000 0.000 0.214 134 L C 1.424 178.302 176.870 0.012 0.000 1.119 134 L CA 0.755 55.602 54.840 0.012 0.000 0.809 134 L CB -0.330 41.738 42.059 0.015 0.000 0.933 134 L HN 0.257 nan 8.230 nan 0.000 0.449 135 S N -0.428 115.278 115.700 0.010 0.000 2.533 135 S HA 0.341 4.811 4.470 0.000 0.000 0.282 135 S C -0.303 174.303 174.600 0.010 0.000 1.304 135 S CA -0.492 57.714 58.200 0.010 0.000 1.063 135 S CB 0.254 63.459 63.200 0.009 0.000 0.881 135 S HN 0.103 nan 8.310 nan 0.000 0.493 136 V N 3.830 123.750 119.914 0.011 0.000 2.680 136 V HA 0.740 4.860 4.120 0.000 0.000 0.309 136 V C -2.853 173.247 176.094 0.010 0.000 1.052 136 V CA -2.805 59.501 62.300 0.011 0.000 0.908 136 V CB 1.151 32.981 31.823 0.012 0.000 1.001 136 V HN 0.629 nan 8.190 nan 0.000 0.431 137 P HA 0.213 nan 4.420 nan 0.000 0.268 137 P C -0.578 176.727 177.300 0.009 0.000 1.205 137 P CA -0.061 63.044 63.100 0.009 0.000 0.771 137 P CB 0.505 32.209 31.700 0.007 0.000 0.858 138 C N 3.462 122.768 119.300 0.009 0.000 2.225 138 C HA 0.511 4.971 4.460 0.000 0.000 0.323 138 C C 1.360 176.354 174.990 0.007 0.000 1.164 138 C CA 0.512 59.536 59.018 0.009 0.000 1.565 138 C CB -1.365 26.381 27.740 0.010 0.000 2.124 138 C HN 0.701 nan 8.230 nan 0.000 0.461 139 S N 2.457 118.160 115.700 0.006 0.000 2.727 139 S HA 0.169 4.639 4.470 0.000 0.000 0.249 139 S C 0.009 174.612 174.600 0.004 0.000 1.079 139 S CA 0.302 58.505 58.200 0.005 0.000 0.912 139 S CB -0.474 62.728 63.200 0.004 0.000 0.861 139 S HN 0.854 nan 8.310 nan 0.000 0.484 140 D N 1.557 121.960 120.400 0.004 0.000 2.357 140 D HA 0.424 5.064 4.640 0.000 0.000 0.242 140 D C 0.919 177.221 176.300 0.003 0.000 1.153 140 D CA -0.227 53.775 54.000 0.003 0.000 0.918 140 D CB 0.765 41.567 40.800 0.003 0.000 1.181 140 D HN -0.017 nan 8.370 nan 0.000 0.435 141 S N -0.220 115.481 115.700 0.002 0.000 2.419 141 S HA -0.182 4.288 4.470 0.000 0.000 0.233 141 S C 1.564 176.165 174.600 0.002 0.000 1.016 141 S CA 1.015 59.215 58.200 0.001 0.000 0.974 141 S CB -0.356 62.844 63.200 0.000 0.000 0.786 141 S HN 0.618 nan 8.310 nan 0.000 0.492 142 K N 1.181 121.582 120.400 0.002 0.000 2.025 142 K HA -0.022 4.298 4.320 0.000 0.000 0.207 142 K C 2.198 178.799 176.600 0.003 0.000 1.049 142 K CA 1.206 57.494 56.287 0.002 0.000 0.933 142 K CB -0.393 32.108 32.500 0.002 0.000 0.714 142 K HN 0.273 nan 8.250 nan 0.000 0.438 143 A N 1.822 124.645 122.820 0.004 0.000 1.877 143 A HA -0.135 4.185 4.320 0.000 0.000 0.216 143 A C 2.142 179.729 177.584 0.006 0.000 1.186 143 A CA 1.543 53.583 52.037 0.005 0.000 0.620 143 A CB -0.649 18.355 19.000 0.006 0.000 0.822 143 A HN 0.372 nan 8.150 nan 0.000 0.443 144 I N -0.173 120.400 120.570 0.005 0.000 2.118 144 I HA -0.360 3.810 4.170 0.000 0.000 0.241 144 I C 3.002 179.122 176.117 0.005 0.000 1.070 144 I CA 1.343 62.646 61.300 0.006 0.000 1.327 144 I CB -0.534 37.468 38.000 0.004 0.000 1.034 144 I HN 0.393 nan 8.210 nan 0.000 0.405 145 A N -0.077 122.744 122.820 0.003 0.000 1.986 145 A HA -0.293 4.027 4.320 0.000 0.000 0.220 145 A C 2.221 179.807 177.584 0.003 0.000 1.171 145 A CA 1.837 53.876 52.037 0.002 0.000 0.640 145 A CB -0.630 18.371 19.000 0.001 0.000 0.811 145 A HN 0.508 nan 8.150 nan 0.000 0.451 146 Q N -0.954 118.847 119.800 0.003 0.000 2.123 146 Q HA -0.068 4.272 4.340 0.000 0.000 0.199 146 Q C 2.229 178.232 176.000 0.004 0.000 0.966 146 Q CA 1.544 57.348 55.803 0.002 0.000 0.845 146 Q CB -0.269 28.471 28.738 0.002 0.000 0.907 146 Q HN 0.691 nan 8.270 nan 0.000 0.439 147 V N -1.040 118.879 119.914 0.008 0.000 2.323 147 V HA -0.044 4.076 4.120 0.000 0.000 0.244 147 V C 1.889 177.991 176.094 0.014 0.000 1.041 147 V CA 2.214 64.521 62.300 0.012 0.000 1.025 147 V CB -1.080 30.753 31.823 0.017 0.000 0.656 147 V HN 0.377 nan 8.190 nan 0.000 0.451 148 G N -0.064 108.744 108.800 0.013 0.000 2.529 148 G HA2 -0.323 3.637 3.960 0.000 0.000 0.219 148 G HA3 -0.323 3.637 3.960 0.000 0.000 0.219 148 G C 1.633 176.539 174.900 0.011 0.000 1.177 148 G CA 1.907 47.016 45.100 0.014 0.000 0.773 148 G HN 0.512 nan 8.290 nan 0.000 0.573 149 T N 0.834 115.391 114.554 0.006 0.000 2.684 149 T HA -0.124 4.226 4.350 0.000 0.000 0.267 149 T C 2.351 177.052 174.700 0.001 0.000 1.036 149 T CA 1.256 63.357 62.100 0.002 0.000 1.148 149 T CB -0.177 68.690 68.868 -0.002 0.000 0.863 149 T HN 0.148 nan 8.240 nan 0.000 0.436 150 I N 0.634 121.205 120.570 0.001 0.000 2.315 150 I HA -0.094 4.076 4.170 0.000 0.000 0.248 150 I C 2.611 178.731 176.117 0.005 0.000 1.117 150 I CA 0.871 62.170 61.300 -0.001 0.000 1.404 150 I CB -0.319 37.681 38.000 -0.001 0.000 1.071 150 I HN 0.128 nan 8.210 nan 0.000 0.419 151 S N 0.216 115.923 115.700 0.012 0.000 2.382 151 S HA -0.045 4.425 4.470 0.000 0.000 0.228 151 S C 1.747 176.357 174.600 0.016 0.000 1.027 151 S CA 1.013 59.224 58.200 0.018 0.000 0.991 151 S CB -0.323 62.894 63.200 0.029 0.000 0.823 151 S HN 0.450 nan 8.310 nan 0.000 0.469 152 A N 1.299 124.127 122.820 0.013 0.000 2.840 152 A HA 0.358 4.678 4.320 0.000 0.000 0.269 152 A C 0.600 178.187 177.584 0.005 0.000 1.439 152 A CA -0.018 52.025 52.037 0.011 0.000 1.083 152 A CB -1.427 17.580 19.000 0.011 0.000 1.019 152 A HN 0.764 nan 8.150 nan 0.000 0.607 153 N N 0.273 118.974 118.700 0.003 0.000 2.710 153 N HA -0.252 4.488 4.740 0.000 0.000 0.249 153 N C -0.064 175.442 175.510 -0.007 0.000 1.059 153 N CA 0.521 53.569 53.050 -0.003 0.000 0.720 153 N CB -0.685 37.800 38.487 -0.002 0.000 0.983 153 N HN 0.519 nan 8.380 nan 0.000 0.544 154 S N -0.990 114.705 115.700 -0.008 0.000 3.696 154 S HA -0.166 4.304 4.470 0.000 0.000 0.302 154 S C -0.659 173.935 174.600 -0.010 0.000 1.182 154 S CA 0.661 58.853 58.200 -0.013 0.000 0.857 154 S CB -0.813 62.374 63.200 -0.021 0.000 0.960 154 S HN 0.621 nan 8.310 nan 0.000 0.559 155 D N 1.392 121.789 120.400 -0.005 0.000 2.456 155 D HA 0.272 4.912 4.640 0.000 0.000 0.219 155 D C 1.148 177.446 176.300 -0.003 0.000 1.126 155 D CA -0.285 53.713 54.000 -0.004 0.000 0.890 155 D CB 0.542 41.342 40.800 -0.000 0.000 1.025 155 D HN 0.434 nan 8.370 nan 0.000 0.511 156 E N 0.947 121.143 120.200 -0.005 0.000 2.209 156 E HA -0.132 4.218 4.350 0.000 0.000 0.196 156 E C 1.230 177.829 176.600 -0.003 0.000 0.993 156 E CA 1.124 57.521 56.400 -0.005 0.000 0.819 156 E CB 0.393 30.089 29.700 -0.007 0.000 0.745 156 E HN 0.474 nan 8.360 nan 0.000 0.477 157 T N 0.333 114.885 114.554 -0.002 0.000 2.857 157 T HA -0.078 4.272 4.350 0.000 0.000 0.266 157 T C 2.136 176.836 174.700 0.000 0.000 1.048 157 T CA 0.780 62.880 62.100 -0.001 0.000 1.139 157 T CB -0.101 68.766 68.868 -0.001 0.000 0.874 157 T HN -0.012 nan 8.240 nan 0.000 0.455 158 V N 1.751 121.666 119.914 0.002 0.000 2.307 158 V HA -0.052 4.068 4.120 0.000 0.000 0.245 158 V C 2.930 179.026 176.094 0.004 0.000 1.045 158 V CA 1.887 64.189 62.300 0.004 0.000 1.024 158 V CB -1.510 30.317 31.823 0.007 0.000 0.651 158 V HN 0.570 nan 8.190 nan 0.000 0.449 159 G N 0.531 109.333 108.800 0.003 0.000 2.491 159 G HA2 -0.386 3.574 3.960 0.000 0.000 0.218 159 G HA3 -0.386 3.574 3.960 0.000 0.000 0.218 159 G C 1.581 176.482 174.900 0.001 0.000 1.180 159 G CA 1.428 46.530 45.100 0.003 0.000 0.774 159 G HN 0.551 nan 8.290 nan 0.000 0.562 160 K N -0.258 120.142 120.400 0.000 0.000 2.063 160 K HA -0.009 4.311 4.320 0.000 0.000 0.208 160 K C 2.341 178.941 176.600 -0.001 0.000 1.048 160 K CA 1.170 57.456 56.287 -0.001 0.000 0.928 160 K CB -0.457 32.042 32.500 -0.001 0.000 0.713 160 K HN 0.227 nan 8.250 nan 0.000 0.442 161 L N 0.958 122.181 121.223 -0.000 0.000 2.056 161 L HA 0.004 4.344 4.340 0.000 0.000 0.207 161 L C 2.075 178.944 176.870 -0.002 0.000 1.078 161 L CA 1.444 56.283 54.840 -0.001 0.000 0.749 161 L CB -0.293 41.766 42.059 -0.000 0.000 0.901 161 L HN 0.299 nan 8.230 nan 0.000 0.433 162 I N -1.029 119.541 120.570 -0.001 0.000 2.142 162 I HA -0.344 3.826 4.170 0.000 0.000 0.240 162 I C 2.583 178.698 176.117 -0.003 0.000 1.078 162 I CA 1.285 62.584 61.300 -0.003 0.000 1.343 162 I CB -0.597 37.403 38.000 -0.000 0.000 1.046 162 I HN 0.292 nan 8.210 nan 0.000 0.405 163 A N 0.188 123.008 122.820 -0.001 0.000 1.903 163 A HA -0.298 4.022 4.320 0.000 0.000 0.219 163 A C 2.257 179.839 177.584 -0.002 0.000 1.191 163 A CA 2.079 54.115 52.037 -0.001 0.000 0.638 163 A CB -0.760 18.240 19.000 -0.000 0.000 0.823 163 A HN 0.472 nan 8.150 nan 0.000 0.451 164 E N -0.695 119.503 120.200 -0.002 0.000 2.058 164 E HA -0.167 4.183 4.350 0.000 0.000 0.194 164 E C 2.399 178.997 176.600 -0.004 0.000 0.997 164 E CA 1.035 57.433 56.400 -0.003 0.000 0.801 164 E CB -0.266 29.432 29.700 -0.003 0.000 0.746 164 E HN 0.628 nan 8.360 nan 0.000 0.450 165 A N 1.228 124.045 122.820 -0.005 0.000 1.858 165 A HA -0.189 4.131 4.320 0.000 0.000 0.216 165 A C 2.187 179.767 177.584 -0.007 0.000 1.190 165 A CA 1.441 53.474 52.037 -0.006 0.000 0.617 165 A CB -0.517 18.478 19.000 -0.008 0.000 0.827 165 A HN 0.159 nan 8.150 nan 0.000 0.443 166 M N -0.757 118.838 119.600 -0.008 0.000 2.195 166 M HA -0.212 4.268 4.480 0.000 0.000 0.260 166 M C 1.791 178.088 176.300 -0.006 0.000 1.066 166 M CA 2.101 57.396 55.300 -0.008 0.000 1.089 166 M CB -0.759 31.837 32.600 -0.007 0.000 1.377 166 M HN 0.508 nan 8.290 nan 0.000 0.411 167 D N 0.196 120.594 120.400 -0.004 0.000 2.178 167 D HA -0.110 4.530 4.640 0.000 0.000 0.202 167 D C 1.900 178.198 176.300 -0.004 0.000 0.974 167 D CA 1.271 55.269 54.000 -0.003 0.000 0.841 167 D CB 0.273 41.072 40.800 -0.003 0.000 0.953 167 D HN 0.146 nan 8.370 nan 0.000 0.478 168 K N -0.717 119.680 120.400 -0.004 0.000 2.141 168 K HA 0.049 4.369 4.320 0.000 0.000 0.202 168 K C 1.918 178.516 176.600 -0.004 0.000 1.045 168 K CA 0.834 57.118 56.287 -0.004 0.000 0.971 168 K CB 0.185 32.682 32.500 -0.004 0.000 0.795 168 K HN 0.092 nan 8.250 nan 0.000 0.459 169 V N -1.908 118.002 119.914 -0.005 0.000 3.141 169 V HA 0.243 4.363 4.120 0.000 0.000 0.265 169 V C 0.970 177.060 176.094 -0.006 0.000 1.126 169 V CA 0.651 62.948 62.300 -0.006 0.000 1.141 169 V CB -1.220 30.599 31.823 -0.007 0.000 0.743 169 V HN 0.411 nan 8.190 nan 0.000 0.492 170 G N 1.077 109.874 108.800 -0.006 0.000 2.527 170 G HA2 -0.249 3.711 3.960 0.000 0.000 0.227 170 G HA3 -0.249 3.711 3.960 0.000 0.000 0.227 170 G C 0.283 175.179 174.900 -0.007 0.000 1.291 170 G CA 0.281 45.378 45.100 -0.005 0.000 0.904 170 G HN 0.398 nan 8.290 nan 0.000 0.577 171 K N 0.373 120.770 120.400 -0.006 0.000 2.242 171 K HA 0.178 4.498 4.320 0.000 0.000 0.200 171 K C 1.598 178.193 176.600 -0.008 0.000 1.050 171 K CA 1.195 57.478 56.287 -0.007 0.000 0.981 171 K CB 0.338 32.835 32.500 -0.005 0.000 0.795 171 K HN 0.492 nan 8.250 nan 0.000 0.477 172 E N 0.970 121.164 120.200 -0.009 0.000 2.423 172 E HA 0.104 4.454 4.350 0.000 0.000 0.198 172 E C -0.167 176.426 176.600 -0.012 0.000 1.038 172 E CA -0.496 55.897 56.400 -0.011 0.000 1.011 172 E CB 0.967 30.661 29.700 -0.011 0.000 1.118 172 E HN 0.198 nan 8.360 nan 0.000 0.451 173 G N 0.435 109.228 108.800 -0.012 0.000 2.389 173 G HA2 0.429 4.389 3.960 0.000 0.000 0.328 173 G HA3 0.429 4.389 3.960 0.000 0.000 0.328 173 G C -0.150 174.741 174.900 -0.015 0.000 1.133 173 G CA -0.465 44.628 45.100 -0.011 0.000 0.891 173 G HN 0.003 nan 8.290 nan 0.000 0.485 174 V N 1.294 121.200 119.914 -0.014 0.000 2.644 174 V HA 0.517 4.637 4.120 0.000 0.000 0.295 174 V C 0.006 176.089 176.094 -0.018 0.000 1.053 174 V CA -0.527 61.762 62.300 -0.018 0.000 0.987 174 V CB 1.321 33.136 31.823 -0.014 0.000 1.006 174 V HN 0.566 nan 8.190 nan 0.000 0.472 175 I N 3.255 123.809 120.570 -0.028 0.000 2.478 175 I HA 0.513 4.683 4.170 0.000 0.000 0.287 175 I C -0.008 176.091 176.117 -0.030 0.000 1.042 175 I CA -0.105 61.179 61.300 -0.027 0.000 1.067 175 I CB 2.257 40.238 38.000 -0.031 0.000 1.233 175 I HN 0.807 nan 8.210 nan 0.000 0.431 176 T N 2.960 117.504 114.554 -0.016 0.000 2.908 176 T HA 0.720 5.070 4.350 0.000 0.000 0.290 176 T C -0.583 174.115 174.700 -0.003 0.000 1.034 176 T CA -0.915 61.179 62.100 -0.010 0.000 1.010 176 T CB 2.287 71.156 68.868 0.002 0.000 1.068 176 T HN 0.351 nan 8.240 nan 0.000 0.481 177 V N 1.332 121.248 119.914 0.004 0.000 2.495 177 V HA 0.843 4.963 4.120 0.000 0.000 0.298 177 V C -1.042 175.060 176.094 0.015 0.000 1.031 177 V CA -0.621 61.684 62.300 0.009 0.000 0.871 177 V CB 1.190 33.020 31.823 0.013 0.000 0.988 177 V HN 1.189 nan 8.190 nan 0.000 0.432 178 E N 3.086 123.294 120.200 0.012 0.000 2.433 178 E HA 0.499 4.849 4.350 0.000 0.000 0.278 178 E C -1.710 174.897 176.600 0.011 0.000 0.976 178 E CA -1.101 55.307 56.400 0.013 0.000 0.793 178 E CB 1.350 31.057 29.700 0.011 0.000 1.311 178 E HN 0.544 nan 8.360 nan 0.000 0.460 179 D N 0.993 121.400 120.400 0.011 0.000 2.493 179 D HA 0.218 4.858 4.640 0.000 0.000 0.240 179 D C 0.234 176.537 176.300 0.006 0.000 1.142 179 D CA 0.555 54.560 54.000 0.009 0.000 0.872 179 D CB 0.955 41.760 40.800 0.010 0.000 1.173 179 D HN 0.565 nan 8.370 nan 0.000 0.467 180 G N 0.217 109.020 108.800 0.005 0.000 2.522 180 G HA2 0.350 4.310 3.960 0.000 0.000 0.304 180 G HA3 0.350 4.310 3.960 0.000 0.000 0.304 180 G C 1.078 175.979 174.900 0.002 0.000 1.210 180 G CA -0.245 44.857 45.100 0.003 0.000 0.960 180 G HN 0.419 nan 8.290 nan 0.000 0.497 181 T N -1.575 112.980 114.554 0.001 0.000 2.852 181 T HA 0.219 4.569 4.350 0.000 0.000 0.256 181 T C 1.515 176.216 174.700 0.001 0.000 1.038 181 T CA 0.995 63.096 62.100 0.001 0.000 1.141 181 T CB -0.313 68.555 68.868 -0.001 0.000 0.869 181 T HN 0.715 nan 8.240 nan 0.000 0.439 182 G N 0.380 109.180 108.800 0.001 0.000 2.782 182 G HA2 0.568 4.528 3.960 0.000 0.000 0.201 182 G HA3 0.568 4.528 3.960 0.000 0.000 0.201 182 G C 0.460 175.360 174.900 0.001 0.000 1.374 182 G CA -0.605 44.495 45.100 0.001 0.000 1.039 182 G HN 0.278 nan 8.290 nan 0.000 0.576 183 L N -0.463 120.760 121.223 0.001 0.000 2.463 183 L HA 0.165 4.505 4.340 0.000 0.000 0.219 183 L C 0.526 177.396 176.870 0.001 0.000 1.088 183 L CA 0.569 55.409 54.840 0.001 0.000 0.849 183 L CB -0.167 41.892 42.059 0.000 0.000 1.012 183 L HN 0.426 nan 8.230 nan 0.000 0.468 184 Q N -0.187 119.614 119.800 0.000 0.000 2.214 184 Q HA 0.276 4.616 4.340 0.000 0.000 0.251 184 Q C -0.715 175.285 176.000 0.001 0.000 0.936 184 Q CA -0.580 55.223 55.803 0.000 0.000 0.894 184 Q CB 0.753 29.491 28.738 -0.000 0.000 1.252 184 Q HN -0.052 nan 8.270 nan 0.000 0.448 185 D N 1.353 121.754 120.400 0.001 0.000 2.382 185 D HA 0.103 4.743 4.640 0.000 0.000 0.245 185 D C -0.546 175.755 176.300 0.000 0.000 1.120 185 D CA 0.205 54.206 54.000 0.001 0.000 0.890 185 D CB 0.882 41.683 40.800 0.002 0.000 1.201 185 D HN 0.519 nan 8.370 nan 0.000 0.433 186 E N 1.129 121.329 120.200 0.000 0.000 2.290 186 E HA 0.368 4.718 4.350 0.000 0.000 0.274 186 E C -1.700 174.900 176.600 -0.001 0.000 0.889 186 E CA -0.832 55.568 56.400 -0.001 0.000 0.760 186 E CB 1.803 31.502 29.700 -0.001 0.000 1.206 186 E HN 0.163 nan 8.360 nan 0.000 0.419 187 L N 4.126 125.348 121.223 -0.002 0.000 2.287 187 L HA 0.497 4.837 4.340 0.000 0.000 0.287 187 L C -1.351 175.517 176.870 -0.004 0.000 1.022 187 L CA -0.226 54.612 54.840 -0.003 0.000 0.814 187 L CB 1.326 43.383 42.059 -0.003 0.000 1.217 187 L HN 0.418 nan 8.230 nan 0.000 0.420 188 D N 3.990 124.387 120.400 -0.004 0.000 2.192 188 D HA 0.520 5.160 4.640 0.000 0.000 0.246 188 D C -0.980 175.317 176.300 -0.005 0.000 1.042 188 D CA 0.001 53.998 54.000 -0.005 0.000 0.847 188 D CB 2.490 43.287 40.800 -0.005 0.000 1.186 188 D HN 0.295 nan 8.370 nan 0.000 0.461 189 V N 2.526 122.437 119.914 -0.005 0.000 2.447 189 V HA 0.187 4.307 4.120 0.000 0.000 0.292 189 V C -0.027 176.065 176.094 -0.004 0.000 1.021 189 V CA -0.847 61.450 62.300 -0.004 0.000 0.850 189 V CB 1.880 33.700 31.823 -0.004 0.000 1.005 189 V HN 0.278 nan 8.190 nan 0.000 0.426 190 V N 4.528 124.440 119.914 -0.003 0.000 2.488 190 V HA 0.328 4.448 4.120 0.000 0.000 0.277 190 V C 0.365 176.459 176.094 0.001 0.000 1.046 190 V CA -0.461 61.838 62.300 -0.003 0.000 0.986 190 V CB 1.159 32.981 31.823 -0.002 0.000 0.989 190 V HN 0.750 nan 8.190 nan 0.000 0.475 191 E N 3.277 123.477 120.200 0.000 0.000 2.197 191 E HA 0.552 4.902 4.350 0.000 0.000 0.281 191 E C 0.729 177.334 176.600 0.007 0.000 0.995 191 E CA 0.771 57.173 56.400 0.002 0.000 0.808 191 E CB 1.668 31.368 29.700 -0.000 0.000 1.093 191 E HN 0.966 nan 8.360 nan 0.000 0.394 192 G N 3.127 111.933 108.800 0.010 0.000 2.539 192 G HA2 -0.299 3.661 3.960 0.000 0.000 0.256 192 G HA3 -0.299 3.661 3.960 0.000 0.000 0.256 192 G C -0.153 174.763 174.900 0.027 0.000 1.233 192 G CA -0.003 45.106 45.100 0.016 0.000 0.936 192 G HN 0.508 nan 8.290 nan 0.000 0.571 193 M N 1.299 120.925 119.600 0.043 0.000 2.268 193 M HA 0.627 5.107 4.480 0.000 0.000 0.344 193 M C -0.291 176.073 176.300 0.107 0.000 1.106 193 M CA -0.469 54.874 55.300 0.073 0.000 1.010 193 M CB 1.408 34.056 32.600 0.080 0.000 1.649 193 M HN 0.878 nan 8.290 nan 0.000 0.443 194 Q N 4.985 124.862 119.800 0.128 0.000 2.320 194 Q HA 0.494 4.834 4.340 0.000 0.000 0.272 194 Q C -2.221 173.887 176.000 0.180 0.000 1.023 194 Q CA -0.658 55.205 55.803 0.100 0.000 0.855 194 Q CB 1.994 30.729 28.738 -0.006 0.000 1.367 194 Q HN 0.682 nan 8.270 nan 0.000 0.406 195 F N -0.215 119.726 119.950 -0.015 0.000 2.618 195 F HA 0.552 5.079 4.527 0.000 0.000 0.332 195 F C -0.265 175.525 175.800 -0.017 0.000 1.061 195 F CA -1.330 56.659 58.000 -0.019 0.000 0.974 195 F CB 0.903 39.887 39.000 -0.026 0.000 1.310 195 F HN 0.347 nan 8.300 nan 0.000 0.491 196 D N 1.993 122.452 120.400 0.099 0.000 2.600 196 D HA 0.148 4.788 4.640 0.000 0.000 0.226 196 D C -0.451 175.836 176.300 -0.022 0.000 1.119 196 D CA 0.368 54.370 54.000 0.003 0.000 1.051 196 D CB -0.017 40.817 40.800 0.056 0.000 1.106 196 D HN 0.238 nan 8.370 nan 0.000 0.491 197 R N 0.253 120.638 120.500 -0.191 0.000 2.510 197 R HA 0.421 4.761 4.340 0.000 0.000 0.294 197 R C -0.295 175.868 176.300 -0.228 0.000 1.056 197 R CA -0.663 55.342 56.100 -0.158 0.000 0.918 197 R CB 1.502 31.755 30.300 -0.078 0.000 1.187 197 R HN 0.208 nan 8.270 nan 0.000 0.437 198 G N 2.394 111.081 108.800 -0.188 0.000 2.451 198 G HA2 0.358 4.318 3.960 0.000 0.000 0.303 198 G HA3 0.358 4.318 3.960 0.000 0.000 0.303 198 G C -0.722 174.062 174.900 -0.193 0.000 1.166 198 G CA -0.495 44.413 45.100 -0.321 0.000 0.884 198 G HN 0.511 nan 8.290 nan 0.000 0.514 199 Y N -0.248 120.053 120.300 0.003 0.000 2.702 199 Y HA 0.210 4.760 4.550 0.000 0.000 0.336 199 Y C 1.156 177.069 175.900 0.022 0.000 1.235 199 Y CA -0.969 57.154 58.100 0.039 0.000 1.492 199 Y CB 0.314 38.824 38.460 0.084 0.000 1.308 199 Y HN 0.232 nan 8.280 nan 0.000 0.589 200 L N 1.520 122.883 121.223 0.233 0.000 2.270 200 L HA 0.017 4.357 4.340 0.000 0.000 0.210 200 L C 1.126 178.071 176.870 0.125 0.000 1.104 200 L CA 1.005 55.930 54.840 0.141 0.000 0.804 200 L CB 0.030 42.139 42.059 0.084 0.000 0.937 200 L HN 0.752 nan 8.230 nan 0.000 0.450 201 S N 0.329 116.107 115.700 0.130 0.000 2.528 201 S HA 0.287 4.757 4.470 0.000 0.000 0.303 201 S C -1.555 172.989 174.600 -0.093 0.000 1.123 201 S CA -1.619 56.603 58.200 0.036 0.000 1.138 201 S CB 0.812 64.036 63.200 0.040 0.000 0.984 201 S HN -0.050 nan 8.310 nan 0.000 0.474 202 P HA -0.061 nan 4.420 nan 0.000 0.223 202 P C 0.192 177.253 177.300 -0.399 0.000 1.151 202 P CA 0.727 63.507 63.100 -0.532 0.000 0.787 202 P CB -0.132 31.376 31.700 -0.320 0.000 0.788 203 Y N -1.226 119.022 120.300 -0.087 0.000 2.550 203 Y HA 0.181 4.731 4.550 0.000 0.000 0.351 203 Y C 1.490 177.413 175.900 0.040 0.000 1.160 203 Y CA -0.238 57.842 58.100 -0.035 0.000 1.337 203 Y CB -1.460 37.002 38.460 0.002 0.000 1.196 203 Y HN -0.006 nan 8.280 nan 0.000 0.498 204 F N -1.185 118.697 119.950 -0.113 0.000 2.856 204 F HA 0.371 4.898 4.527 0.000 0.000 0.338 204 F C 0.311 176.028 175.800 -0.139 0.000 1.100 204 F CA -0.410 57.531 58.000 -0.100 0.000 1.150 204 F CB 0.463 39.413 39.000 -0.083 0.000 1.101 204 F HN -0.205 nan 8.300 nan 0.000 0.548 205 I N 4.039 124.372 120.570 -0.395 0.000 2.845 205 I HA -0.153 4.017 4.170 0.000 0.000 0.290 205 I C 0.866 176.782 176.117 -0.335 0.000 1.202 205 I CA 0.470 61.540 61.300 -0.384 0.000 1.406 205 I CB 0.207 38.053 38.000 -0.257 0.000 1.383 205 I HN 0.362 nan 8.210 nan 0.000 0.549 206 N N 6.872 125.339 118.700 -0.389 0.000 2.295 206 N HA 0.044 4.784 4.740 0.000 0.000 0.221 206 N C -0.314 175.105 175.510 -0.152 0.000 1.129 206 N CA -0.136 52.750 53.050 -0.273 0.000 0.836 206 N CB 0.570 38.863 38.487 -0.324 0.000 1.040 206 N HN 0.464 nan 8.380 nan 0.000 0.494 207 K N 1.013 121.340 120.400 -0.122 0.000 2.790 207 K HA 0.253 4.573 4.320 0.000 0.000 0.253 207 K C -2.382 174.188 176.600 -0.049 0.000 1.082 207 K CA -1.021 55.225 56.287 -0.070 0.000 1.067 207 K CB 2.451 34.918 32.500 -0.054 0.000 1.284 207 K HN -0.139 nan 8.250 nan 0.000 0.529 208 P HA -0.082 nan 4.420 nan 0.000 0.230 208 P C 0.670 177.964 177.300 -0.011 0.000 1.158 208 P CA 0.911 63.997 63.100 -0.024 0.000 0.769 208 P CB 0.589 32.277 31.700 -0.020 0.000 0.807 209 E N -0.642 119.550 120.200 -0.013 0.000 2.047 209 E HA -0.120 4.230 4.350 0.000 0.000 0.191 209 E C 1.856 178.454 176.600 -0.003 0.000 0.987 209 E CA 1.993 58.388 56.400 -0.008 0.000 0.799 209 E CB -1.158 28.535 29.700 -0.010 0.000 0.752 209 E HN 0.336 nan 8.360 nan 0.000 0.449 210 T N -3.369 111.183 114.554 -0.003 0.000 3.065 210 T HA 0.252 4.602 4.350 0.000 0.000 0.252 210 T C 1.467 176.178 174.700 0.019 0.000 1.099 210 T CA 0.257 62.359 62.100 0.004 0.000 1.063 210 T CB 0.271 69.139 68.868 -0.000 0.000 0.948 210 T HN 0.272 nan 8.240 nan 0.000 0.506 211 G N 1.182 109.996 108.800 0.023 0.000 2.246 211 G HA2 0.141 4.101 3.960 0.000 0.000 0.273 211 G HA3 0.141 4.101 3.960 0.000 0.000 0.273 211 G C 0.052 175.022 174.900 0.116 0.000 1.055 211 G CA -0.074 45.059 45.100 0.055 0.000 0.851 211 G HN 1.239 nan 8.290 nan 0.000 0.500 212 A N -1.317 121.545 122.820 0.070 0.000 2.539 212 A HA 0.874 5.194 4.320 0.000 0.000 0.296 212 A C -0.224 177.370 177.584 0.017 0.000 1.073 212 A CA -0.232 51.870 52.037 0.108 0.000 0.700 212 A CB 1.892 20.927 19.000 0.057 0.000 1.296 212 A HN 1.294 nan 8.150 nan 0.000 0.405 213 V N 1.158 121.097 119.914 0.042 0.000 2.498 213 V HA 0.371 4.491 4.120 0.000 0.000 0.279 213 V C 0.044 176.118 176.094 -0.034 0.000 1.048 213 V CA 0.014 62.272 62.300 -0.071 0.000 0.967 213 V CB 0.989 32.805 31.823 -0.012 0.000 0.988 213 V HN 0.882 nan 8.190 nan 0.000 0.473 214 E N 4.756 124.913 120.200 -0.071 0.000 3.108 214 E HA 0.347 4.697 4.350 0.000 0.000 0.228 214 E C -1.083 175.505 176.600 -0.020 0.000 1.176 214 E CA -0.325 56.056 56.400 -0.031 0.000 0.881 214 E CB 1.170 30.850 29.700 -0.034 0.000 1.354 214 E HN 0.582 nan 8.360 nan 0.000 0.400 215 L N 2.179 123.412 121.223 0.017 0.000 2.369 215 L HA 0.184 4.524 4.340 0.000 0.000 0.279 215 L C 0.554 177.440 176.870 0.027 0.000 1.108 215 L CA -0.198 54.669 54.840 0.044 0.000 0.852 215 L CB 0.132 42.255 42.059 0.107 0.000 1.169 215 L HN 0.334 nan 8.230 nan 0.000 0.452 216 E N 2.952 123.161 120.200 0.016 0.000 2.316 216 E HA 0.010 4.360 4.350 0.000 0.000 0.275 216 E C 0.463 177.058 176.600 -0.010 0.000 1.029 216 E CA 0.063 56.463 56.400 0.001 0.000 0.871 216 E CB 0.873 30.571 29.700 -0.003 0.000 1.022 216 E HN 0.493 nan 8.360 nan 0.000 0.418 217 S N 4.514 120.197 115.700 -0.028 0.000 3.280 217 S HA -0.125 4.345 4.470 0.000 0.000 0.349 217 S C -2.442 172.095 174.600 -0.106 0.000 0.936 217 S CA 0.340 58.500 58.200 -0.067 0.000 1.301 217 S CB -0.881 62.274 63.200 -0.074 0.000 0.907 217 S HN 0.465 nan 8.310 nan 0.000 0.516 218 P HA 0.569 nan 4.420 nan 0.000 0.285 218 P C -0.071 177.162 177.300 -0.112 0.000 1.285 218 P CA -0.889 62.185 63.100 -0.044 0.000 0.854 218 P CB 0.473 32.208 31.700 0.058 0.000 1.180 219 F N -0.068 119.904 119.950 0.037 0.000 2.380 219 F HA 0.396 4.923 4.527 0.000 0.000 0.325 219 F C 0.814 176.635 175.800 0.036 0.000 1.136 219 F CA 0.200 58.218 58.000 0.030 0.000 1.171 219 F CB 0.365 39.379 39.000 0.023 0.000 1.230 219 F HN 0.019 nan 8.300 nan 0.000 0.554 220 I N 3.376 124.101 120.570 0.259 0.000 2.447 220 I HA 0.260 4.430 4.170 0.000 0.000 0.287 220 I C -1.390 174.797 176.117 0.117 0.000 1.023 220 I CA -0.770 60.622 61.300 0.153 0.000 1.083 220 I CB 1.861 39.928 38.000 0.111 0.000 1.245 220 I HN 0.242 nan 8.210 nan 0.000 0.434 221 L N 7.988 129.261 121.223 0.084 0.000 2.265 221 L HA 0.522 4.862 4.340 0.000 0.000 0.289 221 L C -1.007 175.883 176.870 0.033 0.000 1.033 221 L CA -0.100 54.767 54.840 0.045 0.000 0.814 221 L CB 0.779 42.853 42.059 0.024 0.000 1.203 221 L HN 0.459 nan 8.230 nan 0.000 0.423 222 L N 6.110 127.344 121.223 0.018 0.000 2.262 222 L HA 0.672 5.012 4.340 0.000 0.000 0.288 222 L C 0.070 176.937 176.870 -0.005 0.000 1.035 222 L CA -0.523 54.318 54.840 0.001 0.000 0.820 222 L CB 1.192 43.244 42.059 -0.012 0.000 1.204 222 L HN 0.772 nan 8.230 nan 0.000 0.424 223 A N 1.722 124.539 122.820 -0.004 0.000 2.271 223 A HA 0.278 4.598 4.320 0.000 0.000 0.317 223 A C 0.397 177.975 177.584 -0.010 0.000 1.245 223 A CA -0.551 51.482 52.037 -0.006 0.000 0.857 223 A CB 1.065 20.064 19.000 -0.001 0.000 1.175 223 A HN 0.775 nan 8.150 nan 0.000 0.512 224 D N 1.967 122.359 120.400 -0.013 0.000 2.097 224 D HA -0.083 4.557 4.640 0.000 0.000 0.197 224 D C 0.864 177.160 176.300 -0.007 0.000 0.984 224 D CA 1.613 55.605 54.000 -0.015 0.000 0.826 224 D CB 0.030 40.821 40.800 -0.015 0.000 0.973 224 D HN 0.670 nan 8.370 nan 0.000 0.460 225 K N 0.643 121.040 120.400 -0.004 0.000 2.168 225 K HA 0.152 4.472 4.320 0.000 0.000 0.258 225 K C -0.025 176.578 176.600 0.004 0.000 1.010 225 K CA -0.600 55.687 56.287 0.001 0.000 0.929 225 K CB 0.367 32.867 32.500 -0.000 0.000 0.998 225 K HN -0.071 nan 8.250 nan 0.000 0.479 226 K N 1.460 121.865 120.400 0.008 0.000 2.185 226 K HA 0.291 4.611 4.320 0.000 0.000 0.271 226 K C -0.533 176.072 176.600 0.008 0.000 1.013 226 K CA -0.479 55.815 56.287 0.011 0.000 0.943 226 K CB 0.561 33.071 32.500 0.016 0.000 0.998 226 K HN 0.518 nan 8.250 nan 0.000 0.468 227 I N 1.362 121.937 120.570 0.009 0.000 2.437 227 I HA 0.046 4.216 4.170 0.000 0.000 0.298 227 I C 0.736 176.856 176.117 0.006 0.000 0.984 227 I CA -0.136 61.167 61.300 0.004 0.000 1.214 227 I CB 1.907 39.908 38.000 0.002 0.000 1.365 227 I HN 0.873 nan 8.210 nan 0.000 0.469 228 S N 2.797 118.499 115.700 0.003 0.000 2.612 228 S HA 0.245 4.715 4.470 0.000 0.000 0.278 228 S C -0.293 174.308 174.600 0.001 0.000 1.082 228 S CA -0.217 57.985 58.200 0.004 0.000 1.185 228 S CB 0.213 63.417 63.200 0.005 0.000 1.077 228 S HN 0.744 nan 8.310 nan 0.000 0.585 229 N N 1.211 119.910 118.700 -0.002 0.000 2.321 229 N HA 0.412 5.152 4.740 0.000 0.000 0.299 229 N C 0.145 175.651 175.510 -0.007 0.000 1.048 229 N CA -0.569 52.479 53.050 -0.004 0.000 0.836 229 N CB 1.304 39.789 38.487 -0.003 0.000 1.269 229 N HN 0.016 nan 8.380 nan 0.000 0.486 230 I N 1.340 121.905 120.570 -0.008 0.000 2.454 230 I HA -0.098 4.072 4.170 0.000 0.000 0.254 230 I C 2.217 178.326 176.117 -0.013 0.000 1.156 230 I CA 1.213 62.506 61.300 -0.012 0.000 1.433 230 I CB -0.125 37.868 38.000 -0.012 0.000 1.082 230 I HN 0.597 nan 8.210 nan 0.000 0.432 231 R N 0.767 121.261 120.500 -0.010 0.000 2.143 231 R HA -0.291 4.049 4.340 0.000 0.000 0.239 231 R C 2.077 178.369 176.300 -0.013 0.000 1.126 231 R CA 2.586 58.679 56.100 -0.011 0.000 0.927 231 R CB -0.411 29.884 30.300 -0.008 0.000 0.860 231 R HN 0.437 nan 8.270 nan 0.000 0.433 232 E N -0.521 119.671 120.200 -0.013 0.000 2.267 232 E HA -0.190 4.160 4.350 0.000 0.000 0.197 232 E C 1.915 178.503 176.600 -0.019 0.000 0.998 232 E CA 1.187 57.578 56.400 -0.015 0.000 0.830 232 E CB 0.027 29.720 29.700 -0.012 0.000 0.751 232 E HN 0.347 nan 8.360 nan 0.000 0.491 233 M N -0.215 119.372 119.600 -0.020 0.000 2.193 233 M HA -0.018 4.462 4.480 0.000 0.000 0.265 233 M C 2.214 178.497 176.300 -0.029 0.000 1.071 233 M CA 1.037 56.322 55.300 -0.026 0.000 1.140 233 M CB -0.789 31.795 32.600 -0.026 0.000 1.369 233 M HN 0.175 nan 8.290 nan 0.000 0.423 234 L N 0.075 121.283 121.223 -0.025 0.000 2.030 234 L HA -0.278 4.062 4.340 0.000 0.000 0.222 234 L C -0.376 176.476 176.870 -0.029 0.000 1.082 234 L CA 2.084 56.910 54.840 -0.024 0.000 0.785 234 L CB -2.326 39.722 42.059 -0.019 0.000 0.895 234 L HN 0.182 nan 8.230 nan 0.000 0.439 235 P HA -0.145 nan 4.420 nan 0.000 0.215 235 P C 1.777 179.048 177.300 -0.049 0.000 1.157 235 P CA 1.368 64.447 63.100 -0.035 0.000 0.868 235 P CB 0.036 31.718 31.700 -0.032 0.000 0.788 236 V N -0.689 119.192 119.914 -0.055 0.000 2.273 236 V HA -0.139 3.981 4.120 0.000 0.000 0.242 236 V C 2.477 178.521 176.094 -0.083 0.000 1.035 236 V CA 1.079 63.331 62.300 -0.079 0.000 1.013 236 V CB -1.492 30.287 31.823 -0.074 0.000 0.652 236 V HN 0.004 nan 8.190 nan 0.000 0.452 237 L N 0.217 121.404 121.223 -0.059 0.000 2.103 237 L HA -0.302 4.038 4.340 0.000 0.000 0.215 237 L C 2.669 179.512 176.870 -0.044 0.000 1.080 237 L CA 2.206 57.017 54.840 -0.047 0.000 0.764 237 L CB -0.182 41.856 42.059 -0.035 0.000 0.890 237 L HN 0.468 nan 8.230 nan 0.000 0.435 238 E N -0.183 119.991 120.200 -0.044 0.000 2.028 238 E HA -0.194 4.156 4.350 0.000 0.000 0.191 238 E C 2.045 178.617 176.600 -0.046 0.000 0.988 238 E CA 1.575 57.953 56.400 -0.036 0.000 0.799 238 E CB -0.274 29.408 29.700 -0.031 0.000 0.755 238 E HN 0.462 nan 8.360 nan 0.000 0.447 239 A N 0.184 122.961 122.820 -0.072 0.000 1.940 239 A HA -0.165 4.155 4.320 0.000 0.000 0.219 239 A C 2.445 179.963 177.584 -0.111 0.000 1.176 239 A CA 1.861 53.842 52.037 -0.094 0.000 0.631 239 A CB -0.737 18.185 19.000 -0.131 0.000 0.814 239 A HN 0.212 nan 8.150 nan 0.000 0.446 240 V N -0.439 119.397 119.914 -0.129 0.000 2.379 240 V HA -0.158 3.962 4.120 0.000 0.000 0.245 240 V C 2.982 179.085 176.094 0.015 0.000 1.044 240 V CA 1.627 63.876 62.300 -0.086 0.000 1.036 240 V CB -1.362 30.416 31.823 -0.074 0.000 0.664 240 V HN 0.589 nan 8.190 nan 0.000 0.453 241 A N 0.003 122.824 122.820 0.002 0.000 1.940 241 A HA -0.216 4.104 4.320 0.000 0.000 0.219 241 A C 2.159 179.757 177.584 0.024 0.000 1.176 241 A CA 1.805 53.853 52.037 0.019 0.000 0.631 241 A CB -0.390 18.613 19.000 0.006 0.000 0.814 241 A HN 0.545 nan 8.150 nan 0.000 0.446 242 K N -0.791 119.617 120.400 0.013 0.000 2.437 242 K HA 0.344 4.664 4.320 0.000 0.000 0.198 242 K C 1.192 177.812 176.600 0.034 0.000 1.024 242 K CA 0.394 56.691 56.287 0.018 0.000 1.148 242 K CB 0.150 32.653 32.500 0.005 0.000 0.860 242 K HN 0.434 nan 8.250 nan 0.000 0.515 243 A N -0.288 122.566 122.820 0.056 0.000 2.259 243 A HA 0.353 4.673 4.320 0.000 0.000 0.213 243 A C 1.485 179.141 177.584 0.121 0.000 1.209 243 A CA 0.692 52.792 52.037 0.104 0.000 0.910 243 A CB 0.199 19.296 19.000 0.162 0.000 0.946 243 A HN 0.327 nan 8.150 nan 0.000 0.497 244 G N 0.036 108.897 108.800 0.102 0.000 2.454 244 G HA2 -0.294 3.666 3.960 0.000 0.000 0.225 244 G HA3 -0.294 3.666 3.960 0.000 0.000 0.225 244 G C 0.450 175.412 174.900 0.104 0.000 1.138 244 G CA 0.430 45.581 45.100 0.086 0.000 0.667 244 G HN 0.565 nan 8.290 nan 0.000 0.512 245 K N 2.301 122.788 120.400 0.145 0.000 2.436 245 K HA 0.390 4.710 4.320 0.000 0.000 0.275 245 K C -1.988 174.720 176.600 0.180 0.000 0.999 245 K CA -0.798 55.567 56.287 0.130 0.000 0.980 245 K CB 0.557 33.103 32.500 0.077 0.000 0.919 245 K HN 0.231 nan 8.250 nan 0.000 0.484 246 P HA 0.106 nan 4.420 nan 0.000 0.275 246 P C -1.292 176.127 177.300 0.198 0.000 1.270 246 P CA -0.489 62.705 63.100 0.155 0.000 0.791 246 P CB 0.474 32.256 31.700 0.136 0.000 1.089 247 L N 0.276 121.603 121.223 0.174 0.000 2.470 247 L HA 0.529 4.869 4.340 0.000 0.000 0.268 247 L C -1.625 175.321 176.870 0.126 0.000 0.964 247 L CA -0.833 54.108 54.840 0.169 0.000 0.839 247 L CB 1.578 43.714 42.059 0.129 0.000 1.276 247 L HN 0.104 nan 8.230 nan 0.000 0.403 248 L N 5.772 127.076 121.223 0.136 0.000 2.334 248 L HA 0.681 5.021 4.340 0.000 0.000 0.277 248 L C -1.094 175.833 176.870 0.094 0.000 1.075 248 L CA 0.209 55.122 54.840 0.122 0.000 0.804 248 L CB 1.258 43.402 42.059 0.141 0.000 1.174 248 L HN 0.621 nan 8.230 nan 0.000 0.438 249 I N 6.167 126.781 120.570 0.074 0.000 2.411 249 I HA 0.360 4.530 4.170 0.000 0.000 0.284 249 I C -0.738 175.425 176.117 0.077 0.000 1.012 249 I CA -0.042 61.292 61.300 0.056 0.000 1.119 249 I CB 1.383 39.394 38.000 0.019 0.000 1.261 249 I HN 0.473 nan 8.210 nan 0.000 0.448 250 I N 6.520 127.136 120.570 0.077 0.000 2.347 250 I HA 0.569 4.739 4.170 0.000 0.000 0.283 250 I C 0.429 176.567 176.117 0.035 0.000 1.058 250 I CA -0.032 61.317 61.300 0.081 0.000 1.202 250 I CB 0.817 38.865 38.000 0.082 0.000 1.386 250 I HN 0.605 nan 8.210 nan 0.000 0.475 251 A N 4.186 127.029 122.820 0.038 0.000 2.284 251 A HA 0.437 4.758 4.320 0.000 0.000 0.317 251 A C 1.119 178.717 177.584 0.023 0.000 1.120 251 A CA -0.477 51.572 52.037 0.020 0.000 0.900 251 A CB 0.891 19.902 19.000 0.019 0.000 1.319 251 A HN 0.704 nan 8.150 nan 0.000 0.494 252 E N -0.768 119.441 120.200 0.015 0.000 2.110 252 E HA -0.142 4.208 4.350 0.000 0.000 0.193 252 E C -0.341 176.280 176.600 0.034 0.000 0.988 252 E CA 1.445 57.858 56.400 0.021 0.000 0.804 252 E CB 0.178 29.888 29.700 0.016 0.000 0.745 252 E HN 0.599 nan 8.360 nan 0.000 0.458 253 D N -1.755 118.664 120.400 0.032 0.000 2.728 253 D HA 0.170 4.810 4.640 0.000 0.000 0.249 253 D C -1.837 174.479 176.300 0.028 0.000 1.225 253 D CA -0.452 53.569 54.000 0.035 0.000 0.748 253 D CB 2.107 42.927 40.800 0.033 0.000 1.326 253 D HN -0.127 nan 8.370 nan 0.000 0.426 254 V N 2.634 122.566 119.914 0.029 0.000 2.525 254 V HA 0.478 4.598 4.120 0.000 0.000 0.299 254 V C 0.151 176.257 176.094 0.021 0.000 1.034 254 V CA -0.499 61.814 62.300 0.020 0.000 0.863 254 V CB 1.644 33.476 31.823 0.015 0.000 0.999 254 V HN 0.629 nan 8.190 nan 0.000 0.423 255 E N 3.423 123.632 120.200 0.016 0.000 2.359 255 E HA 0.823 5.173 4.350 0.000 0.000 0.223 255 E C 0.533 177.141 176.600 0.014 0.000 0.877 255 E CA -0.379 56.032 56.400 0.018 0.000 0.887 255 E CB 1.143 30.854 29.700 0.019 0.000 1.890 255 E HN 1.110 nan 8.360 nan 0.000 0.419 256 G N 0.947 109.756 108.800 0.015 0.000 2.578 256 G HA2 -0.401 3.559 3.960 0.000 0.000 0.275 256 G HA3 -0.401 3.559 3.960 0.000 0.000 0.275 256 G C 0.555 175.462 174.900 0.013 0.000 1.271 256 G CA 0.950 46.058 45.100 0.013 0.000 0.941 256 G HN 0.813 nan 8.290 nan 0.000 0.564 257 E N 0.216 120.421 120.200 0.009 0.000 2.427 257 E HA 0.427 4.777 4.350 0.000 0.000 0.196 257 E C 2.525 179.126 176.600 0.002 0.000 1.028 257 E CA 1.901 58.306 56.400 0.007 0.000 0.864 257 E CB -0.488 29.215 29.700 0.005 0.000 0.813 257 E HN 1.178 nan 8.360 nan 0.000 0.514 258 A N 1.582 124.402 122.820 0.000 0.000 1.841 258 A HA -0.144 4.176 4.320 0.000 0.000 0.216 258 A C 2.169 179.746 177.584 -0.011 0.000 1.199 258 A CA 1.578 53.611 52.037 -0.007 0.000 0.621 258 A CB -0.979 18.017 19.000 -0.006 0.000 0.835 258 A HN 0.321 nan 8.150 nan 0.000 0.445 259 L N -0.180 121.041 121.223 -0.004 0.000 2.013 259 L HA -0.163 4.177 4.340 0.000 0.000 0.212 259 L C 2.737 179.608 176.870 0.001 0.000 1.073 259 L CA 2.466 57.303 54.840 -0.005 0.000 0.753 259 L CB -0.873 41.192 42.059 0.010 0.000 0.890 259 L HN 0.403 nan 8.230 nan 0.000 0.432 260 A N -1.177 121.651 122.820 0.015 0.000 1.865 260 A HA -0.277 4.043 4.320 0.000 0.000 0.217 260 A C 2.365 179.957 177.584 0.014 0.000 1.191 260 A CA 2.892 54.945 52.037 0.026 0.000 0.623 260 A CB -1.482 17.534 19.000 0.027 0.000 0.826 260 A HN 0.643 nan 8.150 nan 0.000 0.444 261 T N -1.562 112.992 114.554 0.001 0.000 2.821 261 T HA -0.027 4.323 4.350 0.000 0.000 0.267 261 T C 1.821 176.511 174.700 -0.018 0.000 1.046 261 T CA 1.295 63.392 62.100 -0.006 0.000 1.139 261 T CB -0.586 68.276 68.868 -0.009 0.000 0.871 261 T HN 0.275 nan 8.240 nan 0.000 0.454 262 L N 0.885 122.087 121.223 -0.035 0.000 2.079 262 L HA -0.106 4.234 4.340 0.000 0.000 0.210 262 L C 2.899 179.720 176.870 -0.082 0.000 1.081 262 L CA 0.944 55.739 54.840 -0.074 0.000 0.752 262 L CB -0.741 41.253 42.059 -0.109 0.000 0.896 262 L HN 0.195 nan 8.230 nan 0.000 0.433 263 V N -0.557 119.336 119.914 -0.036 0.000 2.233 263 V HA -0.273 3.847 4.120 0.000 0.000 0.247 263 V C 2.355 178.468 176.094 0.032 0.000 1.050 263 V CA 1.944 64.257 62.300 0.020 0.000 1.010 263 V CB -0.609 31.262 31.823 0.081 0.000 0.637 263 V HN 0.278 nan 8.190 nan 0.000 0.444 264 V N 0.490 120.414 119.914 0.017 0.000 2.867 264 V HA -0.182 3.938 4.120 0.000 0.000 0.260 264 V C 2.107 178.208 176.094 0.012 0.000 1.099 264 V CA 1.699 64.005 62.300 0.011 0.000 1.122 264 V CB -1.112 30.712 31.823 0.001 0.000 0.708 264 V HN 0.563 nan 8.190 nan 0.000 0.490 265 N N 0.430 119.132 118.700 0.004 0.000 2.354 265 N HA -0.075 4.665 4.740 0.000 0.000 0.179 265 N C 1.824 177.350 175.510 0.027 0.000 1.021 265 N CA 1.738 54.791 53.050 0.004 0.000 0.887 265 N CB 0.090 38.568 38.487 -0.015 0.000 0.974 265 N HN 0.501 nan 8.380 nan 0.000 0.437 266 T N 0.887 115.471 114.554 0.050 0.000 3.039 266 T HA 0.140 4.490 4.350 0.000 0.000 0.250 266 T C 1.823 176.598 174.700 0.125 0.000 1.052 266 T CA -0.091 62.087 62.100 0.130 0.000 1.125 266 T CB 0.305 69.338 68.868 0.275 0.000 0.908 266 T HN 0.097 nan 8.240 nan 0.000 0.473 267 M N 0.962 120.622 119.600 0.100 0.000 2.260 267 M HA -0.108 4.372 4.480 0.000 0.000 0.261 267 M C 2.231 178.553 176.300 0.036 0.000 1.066 267 M CA 1.529 56.867 55.300 0.063 0.000 1.082 267 M CB -0.048 32.574 32.600 0.036 0.000 1.388 267 M HN 0.074 nan 8.290 nan 0.000 0.419 268 R N -0.928 119.592 120.500 0.034 0.000 2.146 268 R HA 0.089 4.429 4.340 0.000 0.000 0.206 268 R C 0.987 177.303 176.300 0.027 0.000 1.049 268 R CA 1.197 57.310 56.100 0.022 0.000 1.029 268 R CB 0.418 30.727 30.300 0.015 0.000 0.949 268 R HN 0.491 nan 8.270 nan 0.000 0.471 269 G N 0.104 108.928 108.800 0.040 0.000 2.141 269 G HA2 -0.132 3.828 3.960 0.000 0.000 0.164 269 G HA3 -0.132 3.828 3.960 0.000 0.000 0.164 269 G C 0.412 175.335 174.900 0.038 0.000 1.009 269 G CA 0.093 45.218 45.100 0.042 0.000 0.677 269 G HN 0.133 nan 8.290 nan 0.000 0.508 270 I N -0.052 120.539 120.570 0.034 0.000 2.235 270 I HA 0.136 4.306 4.170 0.000 0.000 0.241 270 I C 1.567 177.704 176.117 0.033 0.000 1.085 270 I CA 2.101 63.417 61.300 0.026 0.000 1.378 270 I CB -1.178 36.832 38.000 0.016 0.000 1.076 270 I HN 0.542 nan 8.210 nan 0.000 0.415 271 V N -1.824 118.114 119.914 0.040 0.000 3.114 271 V HA 0.516 4.636 4.120 0.000 0.000 0.308 271 V C -0.494 175.649 176.094 0.082 0.000 1.168 271 V CA -1.199 61.131 62.300 0.050 0.000 1.015 271 V CB 2.551 34.389 31.823 0.024 0.000 1.050 271 V HN 0.057 nan 8.190 nan 0.000 0.433 272 K N 1.840 122.309 120.400 0.115 0.000 2.334 272 K HA 0.735 5.055 4.320 0.000 0.000 0.265 272 K C -1.110 175.594 176.600 0.173 0.000 1.039 272 K CA -0.465 55.950 56.287 0.213 0.000 0.920 272 K CB 1.581 34.211 32.500 0.217 0.000 1.160 272 K HN 0.956 nan 8.250 nan 0.000 0.451 273 V N 0.277 120.173 119.914 -0.030 0.000 2.623 273 V HA 0.804 4.924 4.120 0.000 0.000 0.304 273 V C -0.608 175.010 176.094 -0.793 0.000 1.054 273 V CA -1.083 61.072 62.300 -0.242 0.000 0.882 273 V CB 1.492 33.202 31.823 -0.187 0.000 1.002 273 V HN 0.669 nan 8.190 nan 0.000 0.424 274 A N 3.452 126.106 122.820 -0.277 0.000 2.320 274 A HA 1.050 5.370 4.320 0.000 0.000 0.334 274 A C 0.130 177.678 177.584 -0.059 0.000 1.147 274 A CA -0.288 51.668 52.037 -0.135 0.000 0.820 274 A CB 1.704 20.904 19.000 0.332 0.000 1.218 274 A HN 2.424 nan 8.150 nan 0.000 0.482 275 A N 0.787 123.611 122.820 0.007 0.000 2.375 275 A HA 0.664 4.984 4.320 0.000 0.000 0.295 275 A C -0.744 176.904 177.584 0.107 0.000 1.066 275 A CA -0.176 51.885 52.037 0.040 0.000 0.722 275 A CB 0.972 19.968 19.000 -0.007 0.000 1.206 275 A HN 2.146 nan 8.150 nan 0.000 0.435 276 V N -0.104 119.880 119.914 0.116 0.000 2.888 276 V HA 0.579 4.699 4.120 0.000 0.000 0.309 276 V C -0.225 175.954 176.094 0.142 0.000 1.114 276 V CA -1.244 61.134 62.300 0.130 0.000 0.940 276 V CB 1.346 33.251 31.823 0.135 0.000 1.021 276 V HN 0.859 nan 8.190 nan 0.000 0.426 277 K N 1.780 122.255 120.400 0.126 0.000 2.344 277 K HA 0.541 4.861 4.320 0.000 0.000 0.260 277 K C 0.552 177.246 176.600 0.157 0.000 0.988 277 K CA 0.447 56.805 56.287 0.118 0.000 0.909 277 K CB 0.599 33.158 32.500 0.099 0.000 0.968 277 K HN 1.127 nan 8.250 nan 0.000 0.505 278 A N 3.015 125.886 122.820 0.085 0.000 2.388 278 A HA 0.256 4.576 4.320 0.000 0.000 0.257 278 A C -2.166 175.427 177.584 0.014 0.000 1.095 278 A CA -1.343 50.703 52.037 0.015 0.000 0.791 278 A CB -0.151 18.832 19.000 -0.028 0.000 1.029 278 A HN 0.406 nan 8.150 nan 0.000 0.489 279 P HA 0.405 nan 4.420 nan 0.000 0.271 279 P C 0.592 177.782 177.300 -0.184 0.000 1.233 279 P CA 1.485 64.535 63.100 -0.084 0.000 0.764 279 P CB 0.560 32.063 31.700 -0.328 0.000 0.825 280 G N 2.888 111.550 108.800 -0.230 0.000 2.500 280 G HA2 0.115 4.075 3.960 0.000 0.000 0.209 280 G HA3 0.115 4.075 3.960 0.000 0.000 0.209 280 G C -1.367 173.272 174.900 -0.435 0.000 1.283 280 G CA -0.543 44.169 45.100 -0.647 0.000 0.960 280 G HN 0.535 nan 8.290 nan 0.000 0.528 281 F N -2.090 117.876 119.950 0.026 0.000 2.654 281 F HA 0.717 5.244 4.527 0.000 0.000 0.314 281 F C 0.872 176.687 175.800 0.024 0.000 1.116 281 F CA 0.046 58.061 58.000 0.024 0.000 1.017 281 F CB 0.940 39.957 39.000 0.028 0.000 1.285 281 F HN 2.401 nan 8.300 nan 0.000 0.448 282 G N 1.926 110.844 108.800 0.197 0.000 2.547 282 G HA2 -0.317 3.643 3.960 0.000 0.000 0.271 282 G HA3 -0.317 3.643 3.960 0.000 0.000 0.271 282 G C 0.214 175.151 174.900 0.062 0.000 1.209 282 G CA 0.689 45.866 45.100 0.129 0.000 0.959 282 G HN 0.791 nan 8.290 nan 0.000 0.563 283 D N 0.126 120.562 120.400 0.060 0.000 2.348 283 D HA 0.042 4.682 4.640 0.000 0.000 0.216 283 D C 2.372 178.667 176.300 -0.008 0.000 0.970 283 D CA 0.772 54.786 54.000 0.025 0.000 0.889 283 D CB -0.061 40.759 40.800 0.033 0.000 0.912 283 D HN 0.415 nan 8.370 nan 0.000 0.524 284 R N 0.183 120.672 120.500 -0.019 0.000 2.090 284 R HA -0.008 4.332 4.340 0.000 0.000 0.228 284 R C 2.192 178.404 176.300 -0.146 0.000 1.110 284 R CA 0.624 56.667 56.100 -0.095 0.000 0.973 284 R CB 0.139 30.346 30.300 -0.154 0.000 0.869 284 R HN 0.064 nan 8.270 nan 0.000 0.440 285 R N 1.233 121.648 120.500 -0.142 0.000 2.082 285 R HA -0.184 4.156 4.340 0.000 0.000 0.234 285 R C 1.724 177.956 176.300 -0.114 0.000 1.136 285 R CA 2.118 58.133 56.100 -0.143 0.000 0.935 285 R CB -0.098 30.150 30.300 -0.087 0.000 0.842 285 R HN 0.115 nan 8.270 nan 0.000 0.430 286 K N 0.100 120.455 120.400 -0.075 0.000 2.097 286 K HA -0.080 4.240 4.320 0.000 0.000 0.206 286 K C 2.204 178.762 176.600 -0.071 0.000 1.049 286 K CA 1.297 57.547 56.287 -0.062 0.000 0.933 286 K CB -0.199 32.278 32.500 -0.038 0.000 0.717 286 K HN 0.288 nan 8.250 nan 0.000 0.442 287 A N 1.649 124.425 122.820 -0.073 0.000 1.883 287 A HA -0.170 4.150 4.320 0.000 0.000 0.217 287 A C 2.190 179.716 177.584 -0.096 0.000 1.186 287 A CA 1.538 53.530 52.037 -0.075 0.000 0.624 287 A CB -0.423 18.533 19.000 -0.073 0.000 0.822 287 A HN 0.180 nan 8.150 nan 0.000 0.444 288 M N -1.529 117.995 119.600 -0.127 0.000 2.200 288 M HA -0.057 4.423 4.480 0.000 0.000 0.265 288 M C 2.162 178.355 176.300 -0.178 0.000 1.066 288 M CA 1.088 56.293 55.300 -0.158 0.000 1.127 288 M CB -0.384 32.096 32.600 -0.200 0.000 1.379 288 M HN 0.455 nan 8.290 nan 0.000 0.420 289 L N 0.745 121.867 121.223 -0.168 0.000 2.131 289 L HA -0.221 4.119 4.340 0.000 0.000 0.210 289 L C 2.365 179.166 176.870 -0.115 0.000 1.092 289 L CA 1.834 56.577 54.840 -0.161 0.000 0.759 289 L CB -0.695 41.291 42.059 -0.122 0.000 0.903 289 L HN 0.271 nan 8.230 nan 0.000 0.435 290 Q N -0.306 119.439 119.800 -0.091 0.000 2.079 290 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 290 Q C 1.734 177.695 176.000 -0.066 0.000 0.974 290 Q CA 1.978 57.741 55.803 -0.066 0.000 0.840 290 Q CB -0.319 28.387 28.738 -0.054 0.000 0.898 290 Q HN 0.526 nan 8.270 nan 0.000 0.430 291 D N -0.077 120.274 120.400 -0.081 0.000 2.133 291 D HA -0.199 4.441 4.640 0.000 0.000 0.192 291 D C 1.760 178.020 176.300 -0.067 0.000 1.001 291 D CA 1.745 55.701 54.000 -0.074 0.000 0.844 291 D CB -0.262 40.485 40.800 -0.089 0.000 0.944 291 D HN 0.396 nan 8.370 nan 0.000 0.447 292 I N 0.776 121.289 120.570 -0.095 0.000 2.226 292 I HA -0.259 3.911 4.170 0.000 0.000 0.245 292 I C 2.455 178.550 176.117 -0.037 0.000 1.100 292 I CA 1.061 62.316 61.300 -0.076 0.000 1.374 292 I CB -0.306 37.615 38.000 -0.132 0.000 1.057 292 I HN -0.049 nan 8.210 nan 0.000 0.413 293 A N 0.686 123.483 122.820 -0.039 0.000 1.873 293 A HA -0.254 4.066 4.320 0.000 0.000 0.218 293 A C 2.422 180.000 177.584 -0.010 0.000 1.193 293 A CA 2.761 54.788 52.037 -0.017 0.000 0.629 293 A CB -1.314 17.674 19.000 -0.021 0.000 0.826 293 A HN 0.416 nan 8.150 nan 0.000 0.447 294 T N -0.014 114.529 114.554 -0.018 0.000 2.684 294 T HA -0.178 4.172 4.350 0.000 0.000 0.267 294 T C 1.763 176.459 174.700 -0.007 0.000 1.036 294 T CA 1.633 63.726 62.100 -0.013 0.000 1.148 294 T CB -0.417 68.439 68.868 -0.019 0.000 0.863 294 T HN 0.294 nan 8.240 nan 0.000 0.436 295 L N 1.708 122.926 121.223 -0.008 0.000 2.362 295 L HA 0.027 4.367 4.340 0.000 0.000 0.219 295 L C 2.071 178.945 176.870 0.006 0.000 1.134 295 L CA 1.592 56.431 54.840 -0.001 0.000 0.807 295 L CB -0.609 41.451 42.059 0.001 0.000 0.927 295 L HN 0.463 nan 8.230 nan 0.000 0.447 296 T N -5.318 109.241 114.554 0.009 0.000 3.043 296 T HA 0.381 4.731 4.350 0.000 0.000 0.272 296 T C 1.174 175.888 174.700 0.022 0.000 0.990 296 T CA 0.121 62.232 62.100 0.017 0.000 0.897 296 T CB 0.085 68.970 68.868 0.029 0.000 1.111 296 T HN 0.390 nan 8.240 nan 0.000 0.529 297 G N 0.745 109.555 108.800 0.017 0.000 2.295 297 G HA2 0.095 4.055 3.960 0.000 0.000 0.287 297 G HA3 0.095 4.055 3.960 0.000 0.000 0.287 297 G C 0.289 175.210 174.900 0.035 0.000 1.055 297 G CA -0.167 44.946 45.100 0.022 0.000 0.922 297 G HN 1.057 nan 8.290 nan 0.000 0.503 298 G N -1.460 107.358 108.800 0.031 0.000 2.568 298 G HA2 0.774 4.734 3.960 0.000 0.000 0.313 298 G HA3 0.774 4.734 3.960 0.000 0.000 0.313 298 G C -0.384 174.526 174.900 0.017 0.000 1.227 298 G CA 0.029 45.150 45.100 0.036 0.000 0.979 298 G HN 0.575 nan 8.290 nan 0.000 0.486 299 T N 0.646 115.209 114.554 0.014 0.000 2.771 299 T HA 0.376 4.726 4.350 0.000 0.000 0.281 299 T C 0.238 174.936 174.700 -0.003 0.000 0.982 299 T CA -0.279 61.823 62.100 0.003 0.000 0.978 299 T CB 1.565 70.433 68.868 0.002 0.000 0.930 299 T HN 0.342 nan 8.240 nan 0.000 0.447 300 V N 4.715 124.623 119.914 -0.010 0.000 2.450 300 V HA 0.082 4.202 4.120 0.000 0.000 0.281 300 V C 0.477 176.564 176.094 -0.013 0.000 1.019 300 V CA -0.199 62.092 62.300 -0.015 0.000 1.062 300 V CB -0.348 31.461 31.823 -0.023 0.000 0.979 300 V HN 0.732 nan 8.190 nan 0.000 0.477 301 I N 5.010 125.573 120.570 -0.012 0.000 2.293 301 I HA 0.093 4.263 4.170 0.000 0.000 0.299 301 I C 0.805 176.915 176.117 -0.011 0.000 1.153 301 I CA 1.049 62.342 61.300 -0.011 0.000 1.302 301 I CB 0.798 38.792 38.000 -0.011 0.000 1.460 301 I HN 0.593 nan 8.210 nan 0.000 0.552 302 S N 4.714 120.408 115.700 -0.011 0.000 2.404 302 S HA 0.175 4.645 4.470 0.000 0.000 0.309 302 S C 1.285 175.881 174.600 -0.008 0.000 1.076 302 S CA -0.549 57.645 58.200 -0.011 0.000 1.095 302 S CB 0.383 63.576 63.200 -0.012 0.000 0.972 302 S HN 0.693 nan 8.310 nan 0.000 0.484 303 E N 3.177 123.373 120.200 -0.007 0.000 2.267 303 E HA -0.179 4.171 4.350 0.000 0.000 0.197 303 E C 1.275 177.872 176.600 -0.004 0.000 0.998 303 E CA 1.177 57.574 56.400 -0.005 0.000 0.830 303 E CB 0.193 29.891 29.700 -0.004 0.000 0.751 303 E HN 0.784 nan 8.360 nan 0.000 0.491 304 E N 0.256 120.453 120.200 -0.004 0.000 2.017 304 E HA -0.171 4.179 4.350 0.000 0.000 0.193 304 E C 1.633 178.231 176.600 -0.004 0.000 0.997 304 E CA 1.273 57.671 56.400 -0.004 0.000 0.804 304 E CB -0.285 29.413 29.700 -0.004 0.000 0.757 304 E HN 0.399 nan 8.360 nan 0.000 0.448 305 I N -1.307 119.260 120.570 -0.005 0.000 3.525 305 I HA 0.363 4.533 4.170 0.000 0.000 0.311 305 I C 0.408 176.522 176.117 -0.005 0.000 1.329 305 I CA -0.162 61.135 61.300 -0.005 0.000 1.382 305 I CB -0.383 37.613 38.000 -0.007 0.000 1.328 305 I HN 0.050 nan 8.210 nan 0.000 0.493 306 G N 3.023 111.821 108.800 -0.005 0.000 2.374 306 G HA2 -0.232 3.728 3.960 0.000 0.000 0.289 306 G HA3 -0.232 3.728 3.960 0.000 0.000 0.289 306 G C -0.385 174.512 174.900 -0.006 0.000 1.004 306 G CA 0.059 45.156 45.100 -0.005 0.000 1.292 306 G HN 0.581 nan 8.290 nan 0.000 0.502 307 M N -0.096 119.500 119.600 -0.007 0.000 2.371 307 M HA 0.330 4.810 4.480 0.000 0.000 0.287 307 M C -0.406 175.889 176.300 -0.008 0.000 1.149 307 M CA -0.604 54.691 55.300 -0.008 0.000 0.929 307 M CB 2.432 35.027 32.600 -0.009 0.000 1.683 307 M HN 0.311 nan 8.290 nan 0.000 0.470 308 E N 1.739 121.933 120.200 -0.009 0.000 2.191 308 E HA 0.216 4.566 4.350 0.000 0.000 0.278 308 E C 0.308 176.901 176.600 -0.012 0.000 0.972 308 E CA -0.538 55.856 56.400 -0.010 0.000 0.804 308 E CB 2.487 32.181 29.700 -0.010 0.000 1.110 308 E HN 0.504 nan 8.360 nan 0.000 0.394 309 L N 3.510 124.725 121.223 -0.012 0.000 2.079 309 L HA -0.221 4.119 4.340 0.000 0.000 0.210 309 L C 1.797 178.656 176.870 -0.019 0.000 1.081 309 L CA 1.935 56.766 54.840 -0.015 0.000 0.752 309 L CB -0.246 41.805 42.059 -0.013 0.000 0.896 309 L HN 0.606 nan 8.230 nan 0.000 0.433 310 E N -0.008 120.182 120.200 -0.017 0.000 2.118 310 E HA -0.274 4.076 4.350 0.000 0.000 0.195 310 E C 1.587 178.174 176.600 -0.022 0.000 0.992 310 E CA 1.493 57.882 56.400 -0.020 0.000 0.804 310 E CB -0.306 29.384 29.700 -0.016 0.000 0.741 310 E HN 0.640 nan 8.360 nan 0.000 0.458 311 K N 0.890 121.278 120.400 -0.020 0.000 2.476 311 K HA 0.335 4.655 4.320 0.000 0.000 0.196 311 K C 0.309 176.895 176.600 -0.024 0.000 1.025 311 K CA -0.012 56.263 56.287 -0.020 0.000 1.138 311 K CB 0.507 32.998 32.500 -0.016 0.000 0.860 311 K HN -0.079 nan 8.250 nan 0.000 0.515 312 A N 1.611 124.414 122.820 -0.028 0.000 2.401 312 A HA 0.327 4.647 4.320 0.000 0.000 0.259 312 A C 0.266 177.821 177.584 -0.048 0.000 1.103 312 A CA -0.339 51.678 52.037 -0.034 0.000 0.789 312 A CB 0.360 19.340 19.000 -0.033 0.000 1.035 312 A HN 0.505 nan 8.150 nan 0.000 0.491 313 T N -0.101 114.421 114.554 -0.053 0.000 2.870 313 T HA 0.506 4.856 4.350 0.000 0.000 0.277 313 T C 1.242 175.876 174.700 -0.109 0.000 1.000 313 T CA -0.737 61.319 62.100 -0.074 0.000 0.982 313 T CB 0.413 69.249 68.868 -0.053 0.000 1.249 313 T HN 0.333 nan 8.240 nan 0.000 0.589 314 L N 0.177 121.308 121.223 -0.154 0.000 2.129 314 L HA -0.154 4.186 4.340 0.000 0.000 0.212 314 L C 2.906 179.715 176.870 -0.101 0.000 1.087 314 L CA 1.974 56.667 54.840 -0.245 0.000 0.757 314 L CB -0.669 41.240 42.059 -0.251 0.000 0.896 314 L HN 0.885 nan 8.230 nan 0.000 0.434 315 E N 0.812 120.986 120.200 -0.042 0.000 2.095 315 E HA -0.300 4.050 4.350 0.000 0.000 0.212 315 E C 1.564 178.173 176.600 0.015 0.000 1.044 315 E CA 2.301 58.702 56.400 0.002 0.000 0.857 315 E CB -0.093 29.604 29.700 -0.006 0.000 0.764 315 E HN 0.464 nan 8.360 nan 0.000 0.462 316 D N -0.090 120.307 120.400 -0.005 0.000 2.348 316 D HA -0.050 4.590 4.640 0.000 0.000 0.216 316 D C 0.317 176.632 176.300 0.025 0.000 0.970 316 D CA 0.321 54.324 54.000 0.005 0.000 0.889 316 D CB -0.065 40.730 40.800 -0.009 0.000 0.912 316 D HN 0.270 nan 8.370 nan 0.000 0.524 317 L N 1.199 122.443 121.223 0.036 0.000 2.416 317 L HA 0.240 4.580 4.340 0.000 0.000 0.272 317 L C 1.390 178.365 176.870 0.175 0.000 1.161 317 L CA -0.456 54.445 54.840 0.102 0.000 0.845 317 L CB 0.948 43.062 42.059 0.091 0.000 1.119 317 L HN -0.097 nan 8.230 nan 0.000 0.464 318 G N 2.301 111.190 108.800 0.148 0.000 2.599 318 G HA2 0.435 4.395 3.960 0.000 0.000 0.264 318 G HA3 0.435 4.395 3.960 0.000 0.000 0.264 318 G C -0.790 174.191 174.900 0.136 0.000 1.200 318 G CA -0.302 44.868 45.100 0.117 0.000 0.896 318 G HN 0.634 nan 8.290 nan 0.000 0.536 319 Q N -1.359 118.469 119.800 0.047 0.000 2.416 319 Q HA 0.614 4.954 4.340 0.000 0.000 0.281 319 Q C -0.786 175.192 176.000 -0.037 0.000 1.067 319 Q CA -0.794 54.981 55.803 -0.047 0.000 0.809 319 Q CB 2.608 31.263 28.738 -0.137 0.000 1.418 319 Q HN 0.830 nan 8.270 nan 0.000 0.411 320 A N 0.848 123.634 122.820 -0.057 0.000 2.566 320 A HA 0.427 4.747 4.320 0.000 0.000 0.292 320 A C -0.209 177.348 177.584 -0.045 0.000 1.112 320 A CA -0.582 51.438 52.037 -0.029 0.000 0.707 320 A CB 1.677 20.680 19.000 0.005 0.000 1.302 320 A HN 0.777 nan 8.150 nan 0.000 0.409 321 K N -0.567 119.816 120.400 -0.028 0.000 2.103 321 K HA 0.056 4.376 4.320 0.000 0.000 0.204 321 K C 0.604 177.191 176.600 -0.021 0.000 1.052 321 K CA 1.281 57.551 56.287 -0.028 0.000 0.945 321 K CB 0.053 32.542 32.500 -0.018 0.000 0.722 321 K HN 0.599 nan 8.250 nan 0.000 0.443 322 R N -1.120 119.375 120.500 -0.008 0.000 2.709 322 R HA 0.277 4.617 4.340 0.000 0.000 0.270 322 R C -2.056 174.253 176.300 0.015 0.000 1.038 322 R CA -0.698 55.402 56.100 0.000 0.000 0.872 322 R CB 2.087 32.386 30.300 -0.002 0.000 1.259 322 R HN -0.117 nan 8.270 nan 0.000 0.473 323 V N 2.139 122.067 119.914 0.023 0.000 2.760 323 V HA 0.530 4.650 4.120 0.000 0.000 0.309 323 V C -0.946 175.162 176.094 0.024 0.000 1.077 323 V CA -0.817 61.504 62.300 0.035 0.000 0.910 323 V CB 2.105 33.967 31.823 0.065 0.000 1.008 323 V HN 0.443 nan 8.190 nan 0.000 0.424 324 V N 6.003 125.923 119.914 0.010 0.000 2.376 324 V HA 0.567 4.687 4.120 0.000 0.000 0.287 324 V C -0.606 175.477 176.094 -0.018 0.000 1.015 324 V CA -0.234 62.065 62.300 -0.003 0.000 0.834 324 V CB 1.443 33.257 31.823 -0.014 0.000 1.001 324 V HN 0.735 nan 8.190 nan 0.000 0.428 325 I N 5.557 126.136 120.570 0.016 0.000 2.447 325 I HA 0.532 4.702 4.170 0.000 0.000 0.287 325 I C -0.034 176.120 176.117 0.061 0.000 1.023 325 I CA -0.355 60.954 61.300 0.016 0.000 1.083 325 I CB 1.849 39.913 38.000 0.106 0.000 1.245 325 I HN 0.755 nan 8.210 nan 0.000 0.434 326 N N 4.665 123.314 118.700 -0.085 0.000 2.989 326 N HA 0.347 5.087 4.740 0.000 0.000 0.338 326 N C 0.605 175.711 175.510 -0.673 0.000 1.369 326 N CA -0.986 51.970 53.050 -0.157 0.000 0.794 326 N CB 0.485 38.921 38.487 -0.084 0.000 1.359 326 N HN 0.469 nan 8.380 nan 0.000 0.609 327 K N -1.269 118.726 120.400 -0.676 0.000 2.360 327 K HA -0.097 4.223 4.320 0.000 0.000 0.201 327 K C -0.346 175.999 176.600 -0.425 0.000 1.046 327 K CA 1.450 57.288 56.287 -0.750 0.000 0.945 327 K CB -0.108 32.208 32.500 -0.306 0.000 0.750 327 K HN 0.539 nan 8.250 nan 0.000 0.464 328 D N -0.205 120.014 120.400 -0.301 0.000 2.461 328 D HA 0.015 4.655 4.640 0.000 0.000 0.266 328 D C 0.100 176.283 176.300 -0.195 0.000 1.085 328 D CA 0.634 54.517 54.000 -0.196 0.000 0.887 328 D CB 1.056 41.781 40.800 -0.126 0.000 1.309 328 D HN 0.288 nan 8.370 nan 0.000 0.498 329 T N -0.996 113.422 114.554 -0.226 0.000 2.912 329 T HA 0.579 4.929 4.350 0.000 0.000 0.299 329 T C -0.368 174.135 174.700 -0.327 0.000 1.052 329 T CA -0.631 61.310 62.100 -0.266 0.000 0.996 329 T CB 2.443 71.197 68.868 -0.189 0.000 1.070 329 T HN -0.320 nan 8.240 nan 0.000 0.465 330 T N 2.429 116.650 114.554 -0.555 0.000 2.859 330 T HA 0.675 5.025 4.350 0.000 0.000 0.281 330 T C -0.478 173.962 174.700 -0.434 0.000 1.005 330 T CA -0.548 61.229 62.100 -0.537 0.000 1.025 330 T CB 1.393 69.784 68.868 -0.795 0.000 0.977 330 T HN 0.799 nan 8.240 nan 0.000 0.458 331 T N 3.128 117.579 114.554 -0.172 0.000 2.881 331 T HA 0.475 4.825 4.350 0.000 0.000 0.291 331 T C -0.168 174.545 174.700 0.021 0.000 0.990 331 T CA -0.496 61.572 62.100 -0.054 0.000 0.976 331 T CB 0.593 69.434 68.868 -0.045 0.000 0.970 331 T HN 0.430 nan 8.240 nan 0.000 0.438 332 I N 3.901 124.519 120.570 0.080 0.000 2.312 332 I HA 0.361 4.531 4.170 0.000 0.000 0.291 332 I C -0.127 176.018 176.117 0.047 0.000 1.031 332 I CA -0.557 60.790 61.300 0.078 0.000 1.293 332 I CB 0.773 38.841 38.000 0.112 0.000 1.403 332 I HN 0.502 nan 8.210 nan 0.000 0.484 333 I N 6.417 127.004 120.570 0.028 0.000 2.301 333 I HA 0.129 4.299 4.170 0.000 0.000 0.292 333 I C -0.149 175.974 176.117 0.011 0.000 1.046 333 I CA -0.164 61.145 61.300 0.016 0.000 1.282 333 I CB 0.450 38.454 38.000 0.007 0.000 1.409 333 I HN 0.583 nan 8.210 nan 0.000 0.484 334 D N 5.260 125.666 120.400 0.010 0.000 3.763 334 D HA -0.131 4.509 4.640 0.000 0.000 0.232 334 D C 0.111 176.412 176.300 0.002 0.000 1.108 334 D CA 0.905 54.908 54.000 0.004 0.000 1.117 334 D CB -0.032 40.767 40.800 -0.002 0.000 0.846 334 D HN 0.757 nan 8.370 nan 0.000 0.405 335 G N 1.287 110.091 108.800 0.006 0.000 2.476 335 G HA2 0.436 4.397 3.960 0.000 0.000 0.286 335 G HA3 0.436 4.397 3.960 0.000 0.000 0.286 335 G C 1.497 176.395 174.900 -0.003 0.000 1.177 335 G CA -0.253 44.849 45.100 0.003 0.000 0.870 335 G HN 0.337 nan 8.290 nan 0.000 0.528 336 V N 2.084 121.993 119.914 -0.008 0.000 2.233 336 V HA -0.114 4.006 4.120 0.000 0.000 0.252 336 V C 2.171 178.264 176.094 -0.003 0.000 1.063 336 V CA 2.373 64.668 62.300 -0.009 0.000 1.032 336 V CB -1.432 30.386 31.823 -0.008 0.000 0.645 336 V HN 1.772 nan 8.190 nan 0.000 0.446 337 G N 1.352 110.153 108.800 0.001 0.000 2.261 337 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 337 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 337 G C -0.391 174.509 174.900 -0.000 0.000 0.572 337 G CA 0.266 45.367 45.100 0.001 0.000 1.011 337 G HN 0.671 nan 8.290 nan 0.000 0.328 338 E N 1.420 121.621 120.200 0.001 0.000 2.603 338 E HA 0.159 4.509 4.350 0.000 0.000 0.242 338 E C 1.312 177.912 176.600 -0.001 0.000 1.083 338 E CA 0.442 56.842 56.400 0.000 0.000 0.950 338 E CB 0.642 30.343 29.700 0.001 0.000 0.952 338 E HN 0.644 nan 8.360 nan 0.000 0.498 339 E N 3.895 124.094 120.200 -0.002 0.000 2.086 339 E HA -0.320 4.030 4.350 0.000 0.000 0.205 339 E C 1.779 178.377 176.600 -0.003 0.000 1.027 339 E CA 2.160 58.559 56.400 -0.002 0.000 0.830 339 E CB -0.260 29.439 29.700 -0.002 0.000 0.751 339 E HN 0.595 nan 8.360 nan 0.000 0.456 340 A N 0.242 123.061 122.820 -0.003 0.000 1.933 340 A HA -0.037 4.283 4.320 0.000 0.000 0.218 340 A C 2.362 179.944 177.584 -0.004 0.000 1.175 340 A CA 2.206 54.241 52.037 -0.003 0.000 0.628 340 A CB -0.812 18.186 19.000 -0.002 0.000 0.814 340 A HN 0.370 nan 8.150 nan 0.000 0.444 341 A N -0.470 122.348 122.820 -0.004 0.000 2.066 341 A HA 0.111 4.431 4.320 0.000 0.000 0.218 341 A C 1.997 179.577 177.584 -0.007 0.000 1.157 341 A CA 1.068 53.102 52.037 -0.005 0.000 0.670 341 A CB -0.483 18.515 19.000 -0.004 0.000 0.804 341 A HN 0.508 nan 8.150 nan 0.000 0.453 342 I N -0.813 119.753 120.570 -0.007 0.000 2.141 342 I HA -0.279 3.891 4.170 0.000 0.000 0.236 342 I C 2.626 178.737 176.117 -0.009 0.000 1.071 342 I CA 1.513 62.808 61.300 -0.008 0.000 1.345 342 I CB -0.499 37.497 38.000 -0.006 0.000 1.066 342 I HN 0.312 nan 8.210 nan 0.000 0.406 343 Q N 0.708 120.503 119.800 -0.008 0.000 2.291 343 Q HA -0.088 4.252 4.340 0.000 0.000 0.205 343 Q C 2.221 178.216 176.000 -0.009 0.000 0.970 343 Q CA 1.362 57.161 55.803 -0.008 0.000 0.876 343 Q CB -0.317 28.417 28.738 -0.006 0.000 0.935 343 Q HN 0.642 nan 8.270 nan 0.000 0.455 344 G N 0.660 109.455 108.800 -0.009 0.000 2.404 344 G HA2 -0.239 3.721 3.960 0.000 0.000 0.214 344 G HA3 -0.239 3.721 3.960 0.000 0.000 0.214 344 G C 1.430 176.323 174.900 -0.012 0.000 1.189 344 G CA 0.134 45.228 45.100 -0.009 0.000 0.789 344 G HN 0.106 nan 8.290 nan 0.000 0.533 345 R N 0.255 120.747 120.500 -0.013 0.000 2.193 345 R HA 0.007 4.347 4.340 0.000 0.000 0.229 345 R C 2.441 178.730 176.300 -0.020 0.000 1.110 345 R CA 0.758 56.847 56.100 -0.017 0.000 0.988 345 R CB -0.288 30.000 30.300 -0.019 0.000 0.871 345 R HN 0.347 nan 8.270 nan 0.000 0.458 346 V N 0.145 120.049 119.914 -0.017 0.000 2.379 346 V HA -0.089 4.031 4.120 0.000 0.000 0.243 346 V C 2.348 178.432 176.094 -0.016 0.000 1.035 346 V CA 1.603 63.892 62.300 -0.017 0.000 1.035 346 V CB -0.499 31.315 31.823 -0.014 0.000 0.673 346 V HN 0.346 nan 8.190 nan 0.000 0.457 347 A N -0.838 121.974 122.820 -0.013 0.000 2.121 347 A HA -0.237 4.083 4.320 0.000 0.000 0.218 347 A C 2.179 179.756 177.584 -0.013 0.000 1.154 347 A CA 1.771 53.801 52.037 -0.012 0.000 0.679 347 A CB -0.387 18.607 19.000 -0.009 0.000 0.795 347 A HN 0.605 nan 8.150 nan 0.000 0.458 348 Q N -0.349 119.442 119.800 -0.015 0.000 2.123 348 Q HA -0.001 4.339 4.340 0.000 0.000 0.196 348 Q C 1.839 177.827 176.000 -0.020 0.000 0.958 348 Q CA 1.057 56.850 55.803 -0.016 0.000 0.841 348 Q CB -0.114 28.614 28.738 -0.016 0.000 0.915 348 Q HN 0.677 nan 8.270 nan 0.000 0.455 349 I N 0.494 121.050 120.570 -0.024 0.000 2.546 349 I HA -0.192 3.978 4.170 0.000 0.000 0.255 349 I C 2.664 178.764 176.117 -0.028 0.000 1.163 349 I CA 0.604 61.886 61.300 -0.030 0.000 1.457 349 I CB -0.280 37.698 38.000 -0.036 0.000 1.092 349 I HN 0.175 nan 8.210 nan 0.000 0.434 350 R N 0.842 121.329 120.500 -0.022 0.000 2.120 350 R HA -0.212 4.128 4.340 0.000 0.000 0.234 350 R C 2.270 178.560 176.300 -0.016 0.000 1.123 350 R CA 1.393 57.482 56.100 -0.019 0.000 0.975 350 R CB -0.108 30.183 30.300 -0.015 0.000 0.866 350 R HN 0.407 nan 8.270 nan 0.000 0.446 351 Q N 0.071 119.862 119.800 -0.015 0.000 2.402 351 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 351 Q C 1.275 177.266 176.000 -0.015 0.000 0.919 351 Q CA 0.754 56.549 55.803 -0.012 0.000 0.923 351 Q CB 0.359 29.091 28.738 -0.010 0.000 1.048 351 Q HN 0.446 nan 8.270 nan 0.000 0.515 352 Q N 0.153 119.941 119.800 -0.020 0.000 2.224 352 Q HA -0.028 4.312 4.340 0.000 0.000 0.203 352 Q C 1.944 177.927 176.000 -0.027 0.000 0.970 352 Q CA 1.174 56.963 55.803 -0.024 0.000 0.865 352 Q CB 0.100 28.819 28.738 -0.032 0.000 0.922 352 Q HN 0.463 nan 8.270 nan 0.000 0.445 353 I N 0.063 120.617 120.570 -0.027 0.000 2.500 353 I HA -0.160 4.010 4.170 0.000 0.000 0.252 353 I C 2.101 178.209 176.117 -0.014 0.000 1.142 353 I CA 0.567 61.852 61.300 -0.025 0.000 1.451 353 I CB -0.206 37.779 38.000 -0.026 0.000 1.093 353 I HN 0.071 nan 8.210 nan 0.000 0.430 354 E N 1.860 122.054 120.200 -0.010 0.000 2.058 354 E HA -0.221 4.129 4.350 0.000 0.000 0.194 354 E C 1.492 178.091 176.600 -0.002 0.000 0.997 354 E CA 1.516 57.913 56.400 -0.004 0.000 0.801 354 E CB -0.165 29.532 29.700 -0.004 0.000 0.746 354 E HN 0.682 nan 8.360 nan 0.000 0.450 355 E N 0.170 120.367 120.200 -0.004 0.000 2.370 355 E HA 0.358 4.708 4.350 0.000 0.000 0.194 355 E C -0.269 176.330 176.600 -0.001 0.000 1.057 355 E CA -0.238 56.161 56.400 -0.001 0.000 1.011 355 E CB 0.353 30.052 29.700 -0.001 0.000 1.132 355 E HN -0.045 nan 8.360 nan 0.000 0.450 356 A N 1.651 124.469 122.820 -0.004 0.000 2.395 356 A HA 0.158 4.478 4.320 0.000 0.000 0.286 356 A C 1.138 178.727 177.584 0.009 0.000 1.193 356 A CA -0.337 51.697 52.037 -0.005 0.000 0.852 356 A CB -0.000 18.990 19.000 -0.017 0.000 1.118 356 A HN 0.316 nan 8.150 nan 0.000 0.524 357 T N 0.062 114.626 114.554 0.016 0.000 3.361 357 T HA 0.276 4.626 4.350 0.000 0.000 0.251 357 T C 0.712 175.433 174.700 0.035 0.000 1.131 357 T CA 0.493 62.607 62.100 0.024 0.000 1.001 357 T CB -0.999 67.884 68.868 0.024 0.000 1.003 357 T HN 1.065 nan 8.240 nan 0.000 0.558 358 S N -0.526 115.198 115.700 0.040 0.000 3.127 358 S HA 0.375 4.845 4.470 0.000 0.000 0.314 358 S C -0.483 174.151 174.600 0.056 0.000 1.238 358 S CA -0.685 57.549 58.200 0.056 0.000 1.074 358 S CB 0.639 63.890 63.200 0.085 0.000 1.417 358 S HN 0.017 nan 8.310 nan 0.000 0.597 359 D N -0.710 119.739 120.400 0.082 0.000 2.431 359 D HA 0.175 4.815 4.640 0.000 0.000 0.227 359 D C 1.344 177.710 176.300 0.109 0.000 1.030 359 D CA 0.492 54.541 54.000 0.081 0.000 0.897 359 D CB 0.016 40.865 40.800 0.082 0.000 1.058 359 D HN 0.469 nan 8.370 nan 0.000 0.500 360 Y N 2.432 122.745 120.300 0.023 0.000 2.184 360 Y HA -0.072 4.478 4.550 0.000 0.000 0.290 360 Y C 1.295 177.210 175.900 0.025 0.000 1.129 360 Y CA 1.319 59.435 58.100 0.027 0.000 1.144 360 Y CB -0.050 38.428 38.460 0.031 0.000 0.995 360 Y HN -0.211 nan 8.280 nan 0.000 0.513 361 D N 0.138 120.438 120.400 -0.165 0.000 2.371 361 D HA -0.050 4.590 4.640 0.000 0.000 0.234 361 D C 1.647 177.859 176.300 -0.146 0.000 1.049 361 D CA 0.532 54.396 54.000 -0.227 0.000 0.907 361 D CB 0.017 40.776 40.800 -0.068 0.000 0.891 361 D HN 0.476 nan 8.370 nan 0.000 0.531 362 R N 0.099 120.535 120.500 -0.107 0.000 2.164 362 R HA 0.045 4.385 4.340 0.000 0.000 0.198 362 R C 1.802 178.059 176.300 -0.072 0.000 1.028 362 R CA 0.116 56.179 56.100 -0.061 0.000 1.083 362 R CB 0.561 30.853 30.300 -0.013 0.000 1.026 362 R HN -0.003 nan 8.270 nan 0.000 0.514 363 E N 1.385 121.541 120.200 -0.073 0.000 2.005 363 E HA -0.259 4.091 4.350 0.000 0.000 0.198 363 E C 1.773 178.320 176.600 -0.088 0.000 1.010 363 E CA 2.148 58.519 56.400 -0.049 0.000 0.825 363 E CB -0.053 29.654 29.700 0.012 0.000 0.769 363 E HN 0.254 nan 8.360 nan 0.000 0.456 364 K N 0.857 121.151 120.400 -0.177 0.000 2.160 364 K HA -0.178 4.142 4.320 0.000 0.000 0.206 364 K C 2.045 178.566 176.600 -0.131 0.000 1.047 364 K CA 1.289 57.475 56.287 -0.168 0.000 0.930 364 K CB -0.206 32.123 32.500 -0.284 0.000 0.720 364 K HN 0.024 nan 8.250 nan 0.000 0.450 365 L N 2.312 123.453 121.223 -0.137 0.000 2.005 365 L HA -0.175 4.165 4.340 0.000 0.000 0.207 365 L C 2.918 179.748 176.870 -0.067 0.000 1.072 365 L CA 2.217 56.998 54.840 -0.098 0.000 0.744 365 L CB -1.463 40.542 42.059 -0.090 0.000 0.895 365 L HN 0.589 nan 8.230 nan 0.000 0.433 366 Q N -0.539 119.227 119.800 -0.056 0.000 2.437 366 Q HA -0.181 4.159 4.340 0.000 0.000 0.210 366 Q C 1.480 177.460 176.000 -0.033 0.000 0.972 366 Q CA 1.053 56.833 55.803 -0.038 0.000 0.903 366 Q CB -0.135 28.586 28.738 -0.030 0.000 0.967 366 Q HN 0.551 nan 8.270 nan 0.000 0.486 367 E N 1.194 121.371 120.200 -0.039 0.000 2.028 367 E HA -0.096 4.254 4.350 0.000 0.000 0.190 367 E C 2.136 178.718 176.600 -0.029 0.000 0.984 367 E CA 0.787 57.170 56.400 -0.028 0.000 0.800 367 E CB 0.067 29.751 29.700 -0.027 0.000 0.758 367 E HN 0.329 nan 8.360 nan 0.000 0.448 368 R N 0.495 120.968 120.500 -0.044 0.000 2.096 368 R HA -0.133 4.207 4.340 0.000 0.000 0.235 368 R C 2.644 178.923 176.300 -0.035 0.000 1.127 368 R CA 1.373 57.445 56.100 -0.046 0.000 0.968 368 R CB -0.414 29.846 30.300 -0.066 0.000 0.861 368 R HN 0.208 nan 8.270 nan 0.000 0.440 369 V N -1.807 118.087 119.914 -0.034 0.000 2.407 369 V HA -0.126 3.994 4.120 0.000 0.000 0.248 369 V C 2.108 178.191 176.094 -0.018 0.000 1.055 369 V CA 1.865 64.150 62.300 -0.026 0.000 1.049 369 V CB -0.777 31.031 31.823 -0.025 0.000 0.662 369 V HN 0.265 nan 8.190 nan 0.000 0.455 370 A N 0.493 123.304 122.820 -0.016 0.000 1.930 370 A HA -0.099 4.221 4.320 0.000 0.000 0.217 370 A C 2.292 179.874 177.584 -0.003 0.000 1.175 370 A CA 1.829 53.860 52.037 -0.009 0.000 0.627 370 A CB -0.530 18.464 19.000 -0.009 0.000 0.815 370 A HN 0.620 nan 8.150 nan 0.000 0.443 371 K N -0.567 119.832 120.400 -0.002 0.000 2.211 371 K HA 0.078 4.398 4.320 0.000 0.000 0.203 371 K C 1.447 178.050 176.600 0.005 0.000 1.050 371 K CA 0.996 57.288 56.287 0.009 0.000 0.945 371 K CB -0.177 32.331 32.500 0.012 0.000 0.732 371 K HN 0.444 nan 8.250 nan 0.000 0.451 372 L N -0.760 120.459 121.223 -0.007 0.000 2.513 372 L HA 0.111 4.451 4.340 0.000 0.000 0.222 372 L C 1.762 178.628 176.870 -0.007 0.000 1.096 372 L CA 0.050 54.884 54.840 -0.009 0.000 0.857 372 L CB 0.155 42.203 42.059 -0.018 0.000 1.026 372 L HN 0.129 nan 8.230 nan 0.000 0.469 373 A N -0.287 122.529 122.820 -0.007 0.000 2.284 373 A HA 0.534 4.854 4.320 0.000 0.000 0.219 373 A C 1.448 179.030 177.584 -0.004 0.000 2.353 373 A CA 0.627 52.660 52.037 -0.006 0.000 1.164 373 A CB -1.091 17.904 19.000 -0.008 0.000 1.293 373 A HN 0.201 nan 8.150 nan 0.000 0.586 374 G N -0.885 107.913 108.800 -0.004 0.000 3.022 374 G HA2 0.456 4.416 3.960 0.000 0.000 0.157 374 G HA3 0.456 4.416 3.960 0.000 0.000 0.157 374 G C 0.441 175.340 174.900 -0.001 0.000 1.691 374 G CA 0.307 45.405 45.100 -0.003 0.000 1.079 374 G HN 1.157 nan 8.290 nan 0.000 0.549 375 G N -2.401 106.399 108.800 -0.002 0.000 2.714 375 G HA2 0.519 4.480 3.960 0.000 0.000 0.292 375 G HA3 0.519 4.480 3.960 0.000 0.000 0.292 375 G C -1.758 173.142 174.900 -0.001 0.000 1.308 375 G CA -0.370 44.730 45.100 0.000 0.000 0.964 375 G HN 0.638 nan 8.290 nan 0.000 0.484 376 V N 0.256 120.171 119.914 0.001 0.000 2.459 376 V HA 0.734 4.854 4.120 0.000 0.000 0.295 376 V C 0.301 176.394 176.094 -0.002 0.000 1.029 376 V CA -0.576 61.724 62.300 0.001 0.000 0.874 376 V CB 1.064 32.890 31.823 0.006 0.000 0.985 376 V HN 1.129 nan 8.190 nan 0.000 0.438 377 A N 4.453 127.271 122.820 -0.004 0.000 2.355 377 A HA 0.932 5.252 4.320 0.000 0.000 0.324 377 A C -1.022 176.559 177.584 -0.005 0.000 1.117 377 A CA -0.608 51.426 52.037 -0.005 0.000 0.785 377 A CB 1.882 20.877 19.000 -0.007 0.000 1.254 377 A HN 0.656 nan 8.150 nan 0.000 0.453 378 V N 2.849 122.761 119.914 -0.004 0.000 2.588 378 V HA 0.408 4.528 4.120 0.000 0.000 0.304 378 V C -0.561 175.531 176.094 -0.003 0.000 1.042 378 V CA -0.218 62.081 62.300 -0.003 0.000 0.877 378 V CB 1.656 33.479 31.823 -0.001 0.000 0.996 378 V HN 0.792 nan 8.190 nan 0.000 0.425 379 I N 4.420 124.989 120.570 -0.002 0.000 2.359 379 I HA 0.439 4.609 4.170 0.000 0.000 0.294 379 I C -0.038 176.080 176.117 0.002 0.000 0.987 379 I CA -0.491 60.809 61.300 -0.000 0.000 1.225 379 I CB 1.527 39.527 38.000 -0.000 0.000 1.366 379 I HN 0.491 nan 8.210 nan 0.000 0.466 380 K N 5.882 126.283 120.400 0.002 0.000 2.339 380 K HA 0.471 4.791 4.320 0.000 0.000 0.264 380 K C -1.050 175.553 176.600 0.004 0.000 0.986 380 K CA -0.653 55.636 56.287 0.003 0.000 0.866 380 K CB 1.886 34.387 32.500 0.002 0.000 1.103 380 K HN 0.287 nan 8.250 nan 0.000 0.441 381 V N 2.170 122.088 119.914 0.006 0.000 2.530 381 V HA 0.295 4.415 4.120 0.000 0.000 0.282 381 V C 0.851 176.948 176.094 0.006 0.000 1.048 381 V CA -0.735 61.569 62.300 0.007 0.000 0.997 381 V CB 1.165 32.994 31.823 0.010 0.000 0.987 381 V HN 0.883 nan 8.190 nan 0.000 0.477 382 G N 2.622 111.424 108.800 0.004 0.000 2.389 382 G HA2 0.748 4.708 3.960 0.000 0.000 0.317 382 G HA3 0.748 4.708 3.960 0.000 0.000 0.317 382 G C -0.575 174.327 174.900 0.004 0.000 1.137 382 G CA -0.058 45.044 45.100 0.003 0.000 0.870 382 G HN 1.296 nan 8.290 nan 0.000 0.496 383 A N 0.174 122.996 122.820 0.004 0.000 2.566 383 A HA 0.744 5.064 4.320 0.000 0.000 0.297 383 A C 0.680 178.265 177.584 0.003 0.000 1.059 383 A CA 0.307 52.346 52.037 0.003 0.000 0.691 383 A CB 0.989 19.992 19.000 0.005 0.000 1.282 383 A HN 1.746 nan 8.150 nan 0.000 0.401 384 A N 0.904 123.726 122.820 0.002 0.000 1.873 384 A HA 0.314 4.634 4.320 0.000 0.000 0.215 384 A C 1.450 179.036 177.584 0.002 0.000 1.186 384 A CA 2.494 54.532 52.037 0.002 0.000 0.616 384 A CB -0.766 18.234 19.000 0.001 0.000 0.823 384 A HN 1.754 nan 8.150 nan 0.000 0.442 385 T N -4.382 110.173 114.554 0.002 0.000 2.870 385 T HA 0.524 4.874 4.350 0.000 0.000 0.277 385 T C 0.572 175.275 174.700 0.005 0.000 1.000 385 T CA -0.063 62.038 62.100 0.003 0.000 0.982 385 T CB 1.662 70.531 68.868 0.002 0.000 1.249 385 T HN 0.210 nan 8.240 nan 0.000 0.589 386 E N -0.436 119.767 120.200 0.006 0.000 2.251 386 E HA 0.021 4.371 4.350 0.000 0.000 0.194 386 E C 2.160 178.765 176.600 0.008 0.000 0.964 386 E CA 0.435 56.840 56.400 0.008 0.000 0.868 386 E CB 0.105 29.811 29.700 0.011 0.000 0.828 386 E HN 0.555 nan 8.360 nan 0.000 0.481 387 V N -0.221 119.695 119.914 0.004 0.000 2.594 387 V HA -0.182 3.938 4.120 0.000 0.000 0.253 387 V C 2.052 178.147 176.094 0.002 0.000 1.069 387 V CA 1.872 64.173 62.300 0.002 0.000 1.082 387 V CB -0.511 31.311 31.823 -0.003 0.000 0.680 387 V HN 0.172 nan 8.190 nan 0.000 0.469 388 E N -0.310 119.892 120.200 0.003 0.000 2.102 388 E HA -0.121 4.229 4.350 0.000 0.000 0.190 388 E C 2.091 178.695 176.600 0.006 0.000 0.971 388 E CA 0.966 57.368 56.400 0.003 0.000 0.821 388 E CB -0.045 29.656 29.700 0.002 0.000 0.777 388 E HN 0.504 nan 8.360 nan 0.000 0.460 389 M N 1.588 121.192 119.600 0.007 0.000 2.080 389 M HA -0.196 4.284 4.480 0.000 0.000 0.260 389 M C 1.830 178.137 176.300 0.012 0.000 1.068 389 M CA 1.723 57.029 55.300 0.009 0.000 1.109 389 M CB -0.122 32.484 32.600 0.010 0.000 1.342 389 M HN -0.118 nan 8.290 nan 0.000 0.405 390 K N -0.258 120.150 120.400 0.013 0.000 2.001 390 K HA -0.265 4.055 4.320 0.000 0.000 0.214 390 K C 2.001 178.610 176.600 0.014 0.000 1.050 390 K CA 2.255 58.552 56.287 0.016 0.000 0.934 390 K CB -0.609 31.900 32.500 0.016 0.000 0.718 390 K HN 0.556 nan 8.250 nan 0.000 0.443 391 E N 1.633 121.839 120.200 0.010 0.000 2.077 391 E HA -0.222 4.128 4.350 0.000 0.000 0.193 391 E C 1.945 178.552 176.600 0.010 0.000 0.989 391 E CA 1.810 58.215 56.400 0.008 0.000 0.800 391 E CB -0.095 29.607 29.700 0.004 0.000 0.746 391 E HN 0.118 nan 8.360 nan 0.000 0.452 392 K N 0.953 121.359 120.400 0.010 0.000 2.002 392 K HA -0.182 4.138 4.320 0.000 0.000 0.209 392 K C 2.190 178.799 176.600 0.015 0.000 1.048 392 K CA 2.056 58.349 56.287 0.011 0.000 0.930 392 K CB -0.313 32.191 32.500 0.008 0.000 0.714 392 K HN 0.144 nan 8.250 nan 0.000 0.438 393 K N -0.126 120.284 120.400 0.017 0.000 2.044 393 K HA -0.168 4.152 4.320 0.000 0.000 0.210 393 K C 1.936 178.553 176.600 0.029 0.000 1.049 393 K CA 1.604 57.904 56.287 0.021 0.000 0.927 393 K CB -0.430 32.082 32.500 0.021 0.000 0.713 393 K HN 0.232 nan 8.250 nan 0.000 0.443 394 A N 1.293 124.129 122.820 0.027 0.000 1.883 394 A HA -0.193 4.127 4.320 0.000 0.000 0.217 394 A C 2.155 179.760 177.584 0.035 0.000 1.186 394 A CA 1.753 53.809 52.037 0.032 0.000 0.624 394 A CB -0.572 18.441 19.000 0.021 0.000 0.822 394 A HN 0.382 nan 8.150 nan 0.000 0.444 395 R N -0.702 119.814 120.500 0.027 0.000 2.073 395 R HA -0.105 4.235 4.340 0.000 0.000 0.234 395 R C 2.071 178.393 176.300 0.037 0.000 1.134 395 R CA 1.582 57.699 56.100 0.027 0.000 0.952 395 R CB -0.677 29.633 30.300 0.017 0.000 0.850 395 R HN 0.412 nan 8.270 nan 0.000 0.433 396 V N 1.585 121.519 119.914 0.032 0.000 2.324 396 V HA -0.265 3.855 4.120 0.000 0.000 0.250 396 V C 2.197 178.322 176.094 0.050 0.000 1.060 396 V CA 1.833 64.153 62.300 0.033 0.000 1.042 396 V CB -0.528 31.309 31.823 0.022 0.000 0.650 396 V HN 0.352 nan 8.190 nan 0.000 0.450 397 E N -0.039 120.203 120.200 0.070 0.000 2.077 397 E HA -0.259 4.091 4.350 0.000 0.000 0.193 397 E C 2.022 178.762 176.600 0.234 0.000 0.989 397 E CA 1.659 58.134 56.400 0.126 0.000 0.800 397 E CB -0.284 29.497 29.700 0.136 0.000 0.746 397 E HN 0.637 nan 8.360 nan 0.000 0.452 398 D N 0.352 120.843 120.400 0.151 0.000 2.104 398 D HA -0.142 4.498 4.640 0.000 0.000 0.194 398 D C 1.834 178.215 176.300 0.135 0.000 0.994 398 D CA 1.730 55.804 54.000 0.123 0.000 0.830 398 D CB -0.063 40.768 40.800 0.052 0.000 0.959 398 D HN 0.172 nan 8.370 nan 0.000 0.452 399 A N 0.259 123.132 122.820 0.089 0.000 1.897 399 A HA -0.067 4.253 4.320 0.000 0.000 0.215 399 A C 2.165 179.785 177.584 0.061 0.000 1.181 399 A CA 0.540 52.615 52.037 0.064 0.000 0.620 399 A CB -0.720 18.302 19.000 0.038 0.000 0.821 399 A HN 0.295 nan 8.150 nan 0.000 0.443 400 L N -0.540 120.710 121.223 0.046 0.000 2.089 400 L HA -0.287 4.053 4.340 0.000 0.000 0.213 400 L C 2.354 179.200 176.870 -0.041 0.000 1.079 400 L CA 2.621 57.451 54.840 -0.016 0.000 0.758 400 L CB -0.962 41.061 42.059 -0.060 0.000 0.891 400 L HN 0.578 nan 8.230 nan 0.000 0.433 401 H N -1.112 117.966 119.070 0.013 0.000 2.333 401 H HA -0.027 4.529 4.556 0.000 0.000 0.302 401 H C 2.205 177.543 175.328 0.017 0.000 1.075 401 H CA 1.548 57.606 56.048 0.016 0.000 1.348 401 H CB -0.029 29.744 29.762 0.018 0.000 1.393 401 H HN 0.435 nan 8.280 nan 0.000 0.509 402 A N 0.307 123.219 122.820 0.154 0.000 1.902 402 A HA -0.224 4.096 4.320 0.000 0.000 0.217 402 A C 2.472 180.090 177.584 0.057 0.000 1.181 402 A CA 2.217 54.307 52.037 0.089 0.000 0.623 402 A CB -1.184 17.856 19.000 0.066 0.000 0.818 402 A HN 0.620 nan 8.150 nan 0.000 0.443 403 T N -1.333 113.245 114.554 0.041 0.000 2.652 403 T HA -0.228 4.122 4.350 0.000 0.000 0.267 403 T C 1.908 176.620 174.700 0.019 0.000 1.039 403 T CA 1.284 63.398 62.100 0.023 0.000 1.153 403 T CB -0.529 68.345 68.868 0.011 0.000 0.863 403 T HN 0.475 nan 8.240 nan 0.000 0.428 404 R N 1.600 122.108 120.500 0.013 0.000 2.170 404 R HA 0.007 4.347 4.340 0.000 0.000 0.242 404 R C 2.760 179.077 176.300 0.027 0.000 1.145 404 R CA 1.361 57.467 56.100 0.009 0.000 0.984 404 R CB -0.766 29.527 30.300 -0.011 0.000 0.869 404 R HN 0.627 nan 8.270 nan 0.000 0.455 405 A N 0.756 123.602 122.820 0.044 0.000 1.935 405 A HA 0.124 4.444 4.320 0.000 0.000 0.214 405 A C 2.337 179.941 177.584 0.033 0.000 1.178 405 A CA 1.000 53.066 52.037 0.047 0.000 0.640 405 A CB -0.245 18.792 19.000 0.062 0.000 0.825 405 A HN 0.311 nan 8.150 nan 0.000 0.447 406 A N -0.334 122.503 122.820 0.029 0.000 1.902 406 A HA -0.014 4.306 4.320 0.000 0.000 0.217 406 A C 2.174 179.768 177.584 0.017 0.000 1.181 406 A CA 1.804 53.855 52.037 0.022 0.000 0.623 406 A CB -0.851 18.161 19.000 0.020 0.000 0.818 406 A HN 0.350 nan 8.150 nan 0.000 0.443 407 V N 1.015 120.938 119.914 0.015 0.000 2.427 407 V HA -0.253 3.867 4.120 0.000 0.000 0.248 407 V C 2.497 178.598 176.094 0.011 0.000 1.051 407 V CA 2.285 64.591 62.300 0.011 0.000 1.048 407 V CB -0.812 31.015 31.823 0.007 0.000 0.666 407 V HN 0.917 nan 8.190 nan 0.000 0.456 408 E N -0.168 120.041 120.200 0.015 0.000 2.318 408 E HA -0.110 4.240 4.350 0.000 0.000 0.193 408 E C 1.742 178.351 176.600 0.015 0.000 0.998 408 E CA 0.978 57.387 56.400 0.015 0.000 0.859 408 E CB 0.050 29.760 29.700 0.017 0.000 0.812 408 E HN 0.633 nan 8.360 nan 0.000 0.492 409 E N 0.190 120.400 120.200 0.017 0.000 2.641 409 E HA 0.216 4.566 4.350 0.000 0.000 0.224 409 E C 0.169 176.777 176.600 0.013 0.000 0.951 409 E CA 0.321 56.730 56.400 0.015 0.000 1.102 409 E CB 1.085 30.796 29.700 0.018 0.000 1.091 409 E HN 0.339 nan 8.360 nan 0.000 0.507 410 G N 0.319 109.128 108.800 0.014 0.000 2.728 410 G HA2 -0.194 3.766 3.960 0.000 0.000 0.294 410 G HA3 -0.194 3.766 3.960 0.000 0.000 0.294 410 G C -0.466 174.442 174.900 0.014 0.000 1.342 410 G CA -0.492 44.616 45.100 0.013 0.000 0.866 410 G HN 0.608 nan 8.290 nan 0.000 0.534 411 V N -2.613 117.309 119.914 0.014 0.000 2.962 411 V HA 0.970 5.090 4.120 0.000 0.000 0.313 411 V C 0.699 176.803 176.094 0.015 0.000 1.099 411 V CA -0.010 62.299 62.300 0.015 0.000 0.971 411 V CB 1.123 32.955 31.823 0.015 0.000 1.028 411 V HN 2.400 nan 8.190 nan 0.000 0.430 412 V N -0.670 119.254 119.914 0.017 0.000 3.156 412 V HA 1.031 5.151 4.120 0.000 0.000 0.311 412 V C 0.383 176.489 176.094 0.020 0.000 1.208 412 V CA -0.680 61.631 62.300 0.018 0.000 1.063 412 V CB 1.498 33.331 31.823 0.017 0.000 1.098 412 V HN 1.854 nan 8.190 nan 0.000 0.452 413 A N 0.712 123.547 122.820 0.024 0.000 2.409 413 A HA 0.726 5.046 4.320 0.000 0.000 0.267 413 A C 0.784 178.382 177.584 0.023 0.000 1.127 413 A CA 0.411 52.463 52.037 0.026 0.000 0.795 413 A CB -0.343 18.678 19.000 0.036 0.000 1.061 413 A HN 1.870 nan 8.150 nan 0.000 0.502 414 G N 0.873 109.683 108.800 0.017 0.000 2.525 414 G HA2 0.485 4.445 3.960 0.000 0.000 0.276 414 G HA3 0.485 4.445 3.960 0.000 0.000 0.276 414 G C 1.186 176.097 174.900 0.019 0.000 1.388 414 G CA 0.048 45.157 45.100 0.015 0.000 1.050 414 G HN 2.231 nan 8.290 nan 0.000 0.520 415 G N -2.351 106.460 108.800 0.018 0.000 2.155 415 G HA2 0.199 4.159 3.960 0.000 0.000 0.257 415 G HA3 0.199 4.159 3.960 0.000 0.000 0.257 415 G C 1.518 176.443 174.900 0.041 0.000 0.983 415 G CA 1.119 46.238 45.100 0.032 0.000 0.676 415 G HN 2.531 nan 8.290 nan 0.000 0.528 416 G N -2.143 106.676 108.800 0.032 0.000 2.179 416 G HA2 -0.084 3.876 3.960 0.000 0.000 0.257 416 G HA3 -0.084 3.876 3.960 0.000 0.000 0.257 416 G C 1.685 176.607 174.900 0.036 0.000 1.010 416 G CA 1.677 46.797 45.100 0.032 0.000 0.736 416 G HN 2.012 nan 8.290 nan 0.000 0.513 417 V N 0.147 120.085 119.914 0.040 0.000 2.270 417 V HA 0.168 4.288 4.120 0.000 0.000 0.245 417 V C 2.996 179.115 176.094 0.041 0.000 1.043 417 V CA 2.716 65.044 62.300 0.047 0.000 1.014 417 V CB -0.696 31.160 31.823 0.054 0.000 0.645 417 V HN 1.468 nan 8.190 nan 0.000 0.447 418 A N 0.073 122.914 122.820 0.035 0.000 1.915 418 A HA -0.264 4.056 4.320 0.000 0.000 0.220 418 A C 2.171 179.770 177.584 0.025 0.000 1.198 418 A CA 2.630 54.684 52.037 0.029 0.000 0.647 418 A CB -0.931 18.083 19.000 0.023 0.000 0.825 418 A HN 0.556 nan 8.150 nan 0.000 0.456 419 L N -1.156 120.081 121.223 0.023 0.000 2.056 419 L HA -0.018 4.322 4.340 0.000 0.000 0.207 419 L C 2.349 179.232 176.870 0.022 0.000 1.078 419 L CA 1.595 56.446 54.840 0.019 0.000 0.749 419 L CB -0.707 41.362 42.059 0.017 0.000 0.901 419 L HN 0.462 nan 8.230 nan 0.000 0.433 420 I N -1.315 119.271 120.570 0.028 0.000 2.361 420 I HA -0.288 3.882 4.170 0.000 0.000 0.251 420 I C 2.475 178.611 176.117 0.031 0.000 1.133 420 I CA 0.809 62.127 61.300 0.030 0.000 1.413 420 I CB -0.092 37.931 38.000 0.038 0.000 1.073 420 I HN 0.173 nan 8.210 nan 0.000 0.424 421 R N -0.042 120.478 120.500 0.034 0.000 2.066 421 R HA -0.090 4.250 4.340 0.000 0.000 0.232 421 R C 2.331 178.645 176.300 0.023 0.000 1.131 421 R CA 1.731 57.851 56.100 0.033 0.000 0.955 421 R CB -1.383 28.939 30.300 0.037 0.000 0.851 421 R HN 0.446 nan 8.270 nan 0.000 0.432 422 V N -0.174 119.752 119.914 0.019 0.000 2.515 422 V HA -0.062 4.058 4.120 0.000 0.000 0.250 422 V C 1.981 178.081 176.094 0.011 0.000 1.058 422 V CA 1.941 64.249 62.300 0.012 0.000 1.064 422 V CB -0.720 31.108 31.823 0.008 0.000 0.675 422 V HN 0.223 nan 8.190 nan 0.000 0.461 423 A N 1.415 124.243 122.820 0.012 0.000 1.940 423 A HA -0.173 4.147 4.320 0.000 0.000 0.219 423 A C 2.584 180.174 177.584 0.010 0.000 1.176 423 A CA 2.613 54.656 52.037 0.011 0.000 0.631 423 A CB -1.045 17.962 19.000 0.012 0.000 0.814 423 A HN 1.044 nan 8.150 nan 0.000 0.446 424 S N -0.698 115.010 115.700 0.013 0.000 2.436 424 S HA -0.048 4.422 4.470 0.000 0.000 0.228 424 S C 1.739 176.344 174.600 0.008 0.000 1.014 424 S CA 1.251 59.457 58.200 0.011 0.000 0.950 424 S CB -0.189 63.019 63.200 0.013 0.000 0.784 424 S HN 0.538 nan 8.310 nan 0.000 0.504 425 K N 0.895 121.301 120.400 0.009 0.000 2.211 425 K HA 0.214 4.534 4.320 0.000 0.000 0.203 425 K C 1.136 177.739 176.600 0.005 0.000 1.050 425 K CA 0.864 57.155 56.287 0.007 0.000 0.945 425 K CB -0.228 32.277 32.500 0.008 0.000 0.732 425 K HN 0.424 nan 8.250 nan 0.000 0.451 426 L N -0.414 120.811 121.223 0.005 0.000 2.741 426 L HA 0.247 4.587 4.340 0.000 0.000 0.237 426 L C 1.612 178.483 176.870 0.003 0.000 1.178 426 L CA -0.290 54.552 54.840 0.003 0.000 0.973 426 L CB 0.186 42.246 42.059 0.002 0.000 1.255 426 L HN 0.052 nan 8.230 nan 0.000 0.498 427 A N 0.121 122.943 122.820 0.003 0.000 2.032 427 A HA -0.205 4.115 4.320 0.000 0.000 0.221 427 A C 1.512 179.097 177.584 0.002 0.000 1.165 427 A CA 1.797 53.836 52.037 0.003 0.000 0.645 427 A CB -0.218 18.784 19.000 0.003 0.000 0.807 427 A HN 0.367 nan 8.150 nan 0.000 0.453 428 D N -1.390 119.011 120.400 0.001 0.000 2.363 428 D HA 0.214 4.854 4.640 0.000 0.000 0.214 428 D C -0.123 176.177 176.300 0.001 0.000 1.093 428 D CA -0.271 53.729 54.000 0.001 0.000 0.837 428 D CB 0.077 40.877 40.800 0.001 0.000 0.948 428 D HN 0.293 nan 8.370 nan 0.000 0.507 429 L N 1.688 122.912 121.223 0.001 0.000 2.416 429 L HA 0.206 4.546 4.340 0.000 0.000 0.272 429 L C 0.264 177.135 176.870 0.001 0.000 1.161 429 L CA 0.416 55.257 54.840 0.001 0.000 0.845 429 L CB 0.210 42.270 42.059 0.001 0.000 1.119 429 L HN -0.191 nan 8.230 nan 0.000 0.464 430 R N 2.813 123.314 120.500 0.001 0.000 2.888 430 R HA 0.735 5.075 4.340 0.000 0.000 0.264 430 R C -0.387 175.913 176.300 0.001 0.000 1.045 430 R CA -0.590 55.510 56.100 0.001 0.000 0.962 430 R CB 1.524 31.825 30.300 0.001 0.000 1.210 430 R HN 0.787 nan 8.270 nan 0.000 0.479 431 G N -0.409 108.392 108.800 0.002 0.000 3.075 431 G HA2 0.204 4.164 3.960 0.000 0.000 0.253 431 G HA3 0.204 4.164 3.960 0.000 0.000 0.253 431 G C 0.120 175.021 174.900 0.002 0.000 1.353 431 G CA -0.367 44.734 45.100 0.002 0.000 1.051 431 G HN 0.451 nan 8.290 nan 0.000 0.553 432 Q N -0.266 119.535 119.800 0.002 0.000 2.291 432 Q HA 0.004 4.345 4.340 0.000 0.000 0.206 432 Q C 0.576 176.577 176.000 0.002 0.000 0.976 432 Q CA 1.127 56.932 55.803 0.002 0.000 0.875 432 Q CB -0.043 28.697 28.738 0.003 0.000 0.927 432 Q HN 0.596 nan 8.270 nan 0.000 0.450 433 N N -1.817 116.884 118.700 0.002 0.000 2.927 433 N HA -0.022 4.718 4.740 0.000 0.000 0.248 433 N C -0.030 175.481 175.510 0.002 0.000 1.443 433 N CA -0.302 52.749 53.050 0.002 0.000 0.870 433 N CB 1.108 39.597 38.487 0.003 0.000 1.444 433 N HN -0.217 nan 8.380 nan 0.000 0.519 434 E N 0.326 120.528 120.200 0.002 0.000 2.110 434 E HA -0.132 4.218 4.350 0.000 0.000 0.193 434 E C 0.529 177.131 176.600 0.003 0.000 0.988 434 E CA 1.803 58.204 56.400 0.002 0.000 0.804 434 E CB -0.238 29.463 29.700 0.002 0.000 0.745 434 E HN 0.555 nan 8.360 nan 0.000 0.458 435 D N 0.166 120.568 120.400 0.003 0.000 2.104 435 D HA -0.170 4.470 4.640 0.000 0.000 0.194 435 D C 1.895 178.198 176.300 0.004 0.000 0.994 435 D CA 1.076 55.079 54.000 0.004 0.000 0.830 435 D CB -0.299 40.504 40.800 0.005 0.000 0.959 435 D HN 0.350 nan 8.370 nan 0.000 0.452 436 Q N -0.016 119.787 119.800 0.004 0.000 2.181 436 Q HA -0.148 4.192 4.340 0.000 0.000 0.205 436 Q C 1.720 177.722 176.000 0.003 0.000 0.980 436 Q CA 0.902 56.707 55.803 0.004 0.000 0.862 436 Q CB -0.005 28.735 28.738 0.004 0.000 0.905 436 Q HN 0.271 nan 8.270 nan 0.000 0.429 437 N N -0.284 118.418 118.700 0.003 0.000 2.142 437 N HA -0.109 4.631 4.740 0.000 0.000 0.186 437 N C 1.822 177.334 175.510 0.003 0.000 1.023 437 N CA 0.914 53.965 53.050 0.003 0.000 0.852 437 N CB -0.352 38.137 38.487 0.002 0.000 0.998 437 N HN 0.035 nan 8.380 nan 0.000 0.424 438 V N 0.951 120.867 119.914 0.003 0.000 2.343 438 V HA -0.158 3.962 4.120 0.000 0.000 0.247 438 V C 2.411 178.507 176.094 0.004 0.000 1.051 438 V CA 2.026 64.328 62.300 0.004 0.000 1.036 438 V CB -1.262 30.563 31.823 0.004 0.000 0.654 438 V HN 0.350 nan 8.190 nan 0.000 0.451 439 G N -0.125 108.678 108.800 0.005 0.000 2.446 439 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 439 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 439 G C 1.590 176.493 174.900 0.005 0.000 1.168 439 G CA 1.129 46.233 45.100 0.005 0.000 0.771 439 G HN 0.483 nan 8.290 nan 0.000 0.551 440 I N 0.096 120.668 120.570 0.004 0.000 2.163 440 I HA -0.158 4.012 4.170 0.000 0.000 0.243 440 I C 2.782 178.901 176.117 0.004 0.000 1.085 440 I CA 1.318 62.620 61.300 0.003 0.000 1.347 440 I CB -0.078 37.923 38.000 0.002 0.000 1.044 440 I HN 0.027 nan 8.210 nan 0.000 0.408 441 K N 0.382 120.784 120.400 0.004 0.000 2.097 441 K HA -0.091 4.229 4.320 0.000 0.000 0.206 441 K C 1.937 178.540 176.600 0.005 0.000 1.049 441 K CA 0.861 57.150 56.287 0.004 0.000 0.933 441 K CB -0.514 31.988 32.500 0.003 0.000 0.717 441 K HN 0.077 nan 8.250 nan 0.000 0.442 442 V N 0.583 120.501 119.914 0.005 0.000 2.282 442 V HA -0.336 3.784 4.120 0.000 0.000 0.249 442 V C 2.152 178.250 176.094 0.006 0.000 1.057 442 V CA 2.246 64.550 62.300 0.006 0.000 1.032 442 V CB -0.674 31.153 31.823 0.007 0.000 0.645 442 V HN 0.438 nan 8.190 nan 0.000 0.447 443 A N -0.704 122.119 122.820 0.006 0.000 1.898 443 A HA -0.116 4.204 4.320 0.000 0.000 0.216 443 A C 2.153 179.741 177.584 0.006 0.000 1.181 443 A CA 1.652 53.693 52.037 0.006 0.000 0.620 443 A CB -0.504 18.498 19.000 0.004 0.000 0.819 443 A HN 0.516 nan 8.150 nan 0.000 0.442 444 L N -1.188 120.038 121.223 0.005 0.000 2.042 444 L HA -0.227 4.113 4.340 0.000 0.000 0.210 444 L C 2.840 179.714 176.870 0.007 0.000 1.076 444 L CA 1.802 56.645 54.840 0.006 0.000 0.749 444 L CB -0.571 41.491 42.059 0.005 0.000 0.893 444 L HN 0.385 nan 8.230 nan 0.000 0.432 445 R N -0.129 120.375 120.500 0.007 0.000 2.081 445 R HA -0.142 4.198 4.340 0.000 0.000 0.235 445 R C 2.432 178.737 176.300 0.008 0.000 1.131 445 R CA 1.365 57.469 56.100 0.007 0.000 0.960 445 R CB -0.295 30.009 30.300 0.006 0.000 0.856 445 R HN 0.379 nan 8.270 nan 0.000 0.436 446 A N 0.460 123.285 122.820 0.009 0.000 1.933 446 A HA -0.181 4.139 4.320 0.000 0.000 0.218 446 A C 2.055 179.646 177.584 0.011 0.000 1.175 446 A CA 1.267 53.310 52.037 0.010 0.000 0.628 446 A CB -0.391 18.615 19.000 0.011 0.000 0.814 446 A HN 0.272 nan 8.150 nan 0.000 0.444 447 M N -0.393 119.213 119.600 0.011 0.000 2.426 447 M HA -0.191 4.289 4.480 0.000 0.000 0.261 447 M C 1.431 177.740 176.300 0.015 0.000 1.068 447 M CA 1.294 56.602 55.300 0.012 0.000 1.066 447 M CB -0.243 32.363 32.600 0.011 0.000 1.399 447 M HN 0.476 nan 8.290 nan 0.000 0.449 448 E N -0.657 119.551 120.200 0.014 0.000 2.481 448 E HA -0.003 4.347 4.350 0.000 0.000 0.195 448 E C 1.886 178.495 176.600 0.015 0.000 1.047 448 E CA 0.380 56.789 56.400 0.015 0.000 0.867 448 E CB 0.086 29.793 29.700 0.012 0.000 0.858 448 E HN 0.526 nan 8.360 nan 0.000 0.513 449 A N 2.237 125.066 122.820 0.014 0.000 1.855 449 A HA -0.090 4.230 4.320 0.000 0.000 0.215 449 A C -0.319 177.275 177.584 0.016 0.000 1.191 449 A CA 1.000 53.046 52.037 0.014 0.000 0.613 449 A CB -1.382 17.626 19.000 0.014 0.000 0.829 449 A HN 0.111 nan 8.150 nan 0.000 0.442 450 P HA -0.161 nan 4.420 nan 0.000 0.215 450 P C 1.751 179.066 177.300 0.026 0.000 1.153 450 P CA 0.936 64.049 63.100 0.022 0.000 0.853 450 P CB -0.097 31.616 31.700 0.022 0.000 0.788 451 L N -1.039 120.201 121.223 0.028 0.000 2.056 451 L HA -0.141 4.199 4.340 0.000 0.000 0.207 451 L C 2.479 179.365 176.870 0.026 0.000 1.078 451 L CA 1.633 56.495 54.840 0.036 0.000 0.749 451 L CB -0.227 41.855 42.059 0.039 0.000 0.901 451 L HN -0.225 nan 8.230 nan 0.000 0.433 452 R N -0.841 119.668 120.500 0.016 0.000 2.096 452 R HA -0.170 4.170 4.340 0.000 0.000 0.235 452 R C 2.400 178.704 176.300 0.008 0.000 1.127 452 R CA 1.412 57.516 56.100 0.006 0.000 0.968 452 R CB -0.193 30.109 30.300 0.004 0.000 0.861 452 R HN 0.402 nan 8.270 nan 0.000 0.440 453 Q N 0.311 120.120 119.800 0.014 0.000 2.083 453 Q HA -0.057 4.283 4.340 0.000 0.000 0.198 453 Q C 2.184 178.196 176.000 0.020 0.000 0.969 453 Q CA 1.258 57.069 55.803 0.014 0.000 0.838 453 Q CB -0.081 28.666 28.738 0.014 0.000 0.900 453 Q HN 0.385 nan 8.270 nan 0.000 0.436 454 I N -0.042 120.545 120.570 0.028 0.000 2.145 454 I HA -0.319 3.851 4.170 0.000 0.000 0.244 454 I C 2.238 178.387 176.117 0.052 0.000 1.075 454 I CA 1.095 62.419 61.300 0.040 0.000 1.332 454 I CB -0.230 37.802 38.000 0.052 0.000 1.033 454 I HN 0.001 nan 8.210 nan 0.000 0.410 455 V N 0.076 120.018 119.914 0.047 0.000 2.379 455 V HA -0.235 3.885 4.120 0.000 0.000 0.245 455 V C 2.239 178.345 176.094 0.019 0.000 1.044 455 V CA 1.214 63.536 62.300 0.037 0.000 1.036 455 V CB -0.374 31.428 31.823 -0.034 0.000 0.664 455 V HN 0.320 nan 8.190 nan 0.000 0.453 456 L N 0.711 121.940 121.223 0.009 0.000 2.083 456 L HA -0.123 4.217 4.340 0.000 0.000 0.209 456 L C 2.014 178.890 176.870 0.011 0.000 1.083 456 L CA 1.849 56.692 54.840 0.005 0.000 0.752 456 L CB -1.288 40.773 42.059 0.004 0.000 0.899 456 L HN 0.407 nan 8.230 nan 0.000 0.433 457 N N -2.002 116.707 118.700 0.015 0.000 2.443 457 N HA -0.178 4.562 4.740 0.000 0.000 0.184 457 N C 1.419 176.940 175.510 0.018 0.000 1.037 457 N CA 1.066 54.124 53.050 0.015 0.000 0.896 457 N CB -0.106 38.390 38.487 0.015 0.000 0.959 457 N HN 0.388 nan 8.380 nan 0.000 0.442 458 C N -0.264 119.053 119.300 0.028 0.000 2.696 458 C HA 0.244 4.704 4.460 0.000 0.000 0.264 458 C C 1.682 176.687 174.990 0.025 0.000 1.288 458 C CA -0.010 59.029 59.018 0.034 0.000 1.717 458 C CB -0.850 26.932 27.740 0.071 0.000 1.893 458 C HN 0.621 nan 8.230 nan 0.000 0.577 459 G N 1.650 110.460 108.800 0.016 0.000 2.160 459 G HA2 -0.222 3.738 3.960 0.000 0.000 0.251 459 G HA3 -0.222 3.738 3.960 0.000 0.000 0.251 459 G C -0.276 174.629 174.900 0.007 0.000 1.008 459 G CA 0.391 45.496 45.100 0.010 0.000 0.724 459 G HN 0.631 nan 8.290 nan 0.000 0.514 460 E N -0.041 120.162 120.200 0.005 0.000 2.281 460 E HA 0.473 4.823 4.350 0.000 0.000 0.257 460 E C -0.039 176.543 176.600 -0.031 0.000 0.971 460 E CA -0.906 55.486 56.400 -0.013 0.000 0.839 460 E CB 0.855 30.542 29.700 -0.023 0.000 1.238 460 E HN 0.407 nan 8.360 nan 0.000 0.412 461 E N 1.741 121.916 120.200 -0.042 0.000 2.166 461 E HA 0.065 4.415 4.350 0.000 0.000 0.279 461 E C -2.066 174.499 176.600 -0.057 0.000 1.095 461 E CA -1.539 54.839 56.400 -0.038 0.000 0.888 461 E CB 0.716 30.399 29.700 -0.027 0.000 1.041 461 E HN 0.242 nan 8.360 nan 0.000 0.414 462 P HA -0.126 nan 4.420 nan 0.000 0.219 462 P C 1.234 178.511 177.300 -0.039 0.000 1.150 462 P CA 0.963 64.037 63.100 -0.044 0.000 0.814 462 P CB 0.252 31.939 31.700 -0.022 0.000 0.787 463 S N -2.044 113.639 115.700 -0.028 0.000 2.558 463 S HA 0.043 4.513 4.470 0.000 0.000 0.217 463 S C 1.776 176.362 174.600 -0.023 0.000 0.975 463 S CA 0.142 58.330 58.200 -0.020 0.000 0.912 463 S CB -1.138 62.054 63.200 -0.013 0.000 0.776 463 S HN -0.070 nan 8.310 nan 0.000 0.526 464 V N 1.226 121.121 119.914 -0.032 0.000 2.446 464 V HA -0.025 4.095 4.120 0.000 0.000 0.244 464 V C 2.478 178.553 176.094 -0.032 0.000 1.039 464 V CA 1.055 63.339 62.300 -0.027 0.000 1.045 464 V CB -0.267 31.543 31.823 -0.021 0.000 0.681 464 V HN 0.408 nan 8.190 nan 0.000 0.459 465 V N 0.429 120.296 119.914 -0.078 0.000 2.237 465 V HA -0.248 3.872 4.120 0.000 0.000 0.245 465 V C 2.750 178.829 176.094 -0.025 0.000 1.046 465 V CA 2.157 64.396 62.300 -0.103 0.000 1.007 465 V CB -1.096 30.510 31.823 -0.361 0.000 0.638 465 V HN 0.547 nan 8.190 nan 0.000 0.445 466 A N 0.179 122.981 122.820 -0.029 0.000 1.917 466 A HA -0.302 4.018 4.320 0.000 0.000 0.219 466 A C 2.033 179.619 177.584 0.004 0.000 1.182 466 A CA 2.391 54.428 52.037 -0.000 0.000 0.633 466 A CB -0.870 18.130 19.000 -0.001 0.000 0.819 466 A HN 0.598 nan 8.150 nan 0.000 0.448 467 N N -0.250 118.446 118.700 -0.008 0.000 2.036 467 N HA -0.161 4.579 4.740 0.000 0.000 0.195 467 N C 2.044 177.544 175.510 -0.017 0.000 1.037 467 N CA 2.554 55.598 53.050 -0.011 0.000 0.855 467 N CB -0.756 37.721 38.487 -0.016 0.000 1.033 467 N HN 0.721 nan 8.380 nan 0.000 0.423 468 T N -2.091 112.434 114.554 -0.048 0.000 2.857 468 T HA -0.003 4.347 4.350 0.000 0.000 0.266 468 T C 2.034 176.734 174.700 0.001 0.000 1.048 468 T CA 1.011 63.049 62.100 -0.103 0.000 1.139 468 T CB -0.696 67.975 68.868 -0.329 0.000 0.874 468 T HN -0.060 nan 8.240 nan 0.000 0.455 469 V N 1.708 121.634 119.914 0.019 0.000 2.427 469 V HA -0.093 4.027 4.120 0.000 0.000 0.248 469 V C 2.804 178.982 176.094 0.139 0.000 1.051 469 V CA 1.711 64.071 62.300 0.099 0.000 1.048 469 V CB -0.569 31.302 31.823 0.079 0.000 0.666 469 V HN 0.511 nan 8.190 nan 0.000 0.456 470 K N 0.195 120.638 120.400 0.071 0.000 2.211 470 K HA -0.053 4.267 4.320 0.000 0.000 0.203 470 K C 2.104 178.732 176.600 0.047 0.000 1.050 470 K CA 1.147 57.466 56.287 0.054 0.000 0.945 470 K CB -0.434 32.083 32.500 0.028 0.000 0.732 470 K HN 0.559 nan 8.250 nan 0.000 0.451 471 G N 0.819 109.642 108.800 0.039 0.000 2.559 471 G HA2 -0.066 3.894 3.960 0.000 0.000 0.216 471 G HA3 -0.066 3.894 3.960 0.000 0.000 0.216 471 G C 0.679 175.560 174.900 -0.032 0.000 1.126 471 G CA 0.563 45.663 45.100 0.000 0.000 0.778 471 G HN 0.342 nan 8.290 nan 0.000 0.543 472 G N -0.956 107.860 108.800 0.027 0.000 2.736 472 G HA2 0.542 4.502 3.960 0.000 0.000 0.229 472 G HA3 0.542 4.502 3.960 0.000 0.000 0.229 472 G C -1.181 173.716 174.900 -0.005 0.000 1.380 472 G CA -0.491 44.548 45.100 -0.102 0.000 1.040 472 G HN 0.111 nan 8.290 nan 0.000 0.568 473 D N -2.008 118.391 120.400 -0.003 0.000 2.570 473 D HA 0.497 5.137 4.640 0.000 0.000 0.244 473 D C 0.936 177.277 176.300 0.068 0.000 1.178 473 D CA 0.506 54.520 54.000 0.022 0.000 0.881 473 D CB 1.611 42.399 40.800 -0.020 0.000 1.453 473 D HN 0.850 nan 8.370 nan 0.000 0.447 474 G N 1.577 110.409 108.800 0.054 0.000 2.690 474 G HA2 -0.387 3.573 3.960 0.000 0.000 0.334 474 G HA3 -0.387 3.573 3.960 0.000 0.000 0.334 474 G C 0.343 175.297 174.900 0.088 0.000 1.250 474 G CA 0.780 45.916 45.100 0.060 0.000 0.994 474 G HN 0.654 nan 8.290 nan 0.000 0.549 475 N N -0.203 118.558 118.700 0.102 0.000 2.273 475 N HA 0.294 5.034 4.740 0.000 0.000 0.231 475 N C -0.208 175.400 175.510 0.164 0.000 1.134 475 N CA -0.336 52.777 53.050 0.106 0.000 0.856 475 N CB 0.433 38.965 38.487 0.074 0.000 1.068 475 N HN 0.424 nan 8.380 nan 0.000 0.510 476 Y N 1.735 122.063 120.300 0.046 0.000 2.526 476 Y HA 0.353 4.903 4.550 0.000 0.000 0.330 476 Y C 0.652 176.613 175.900 0.103 0.000 1.156 476 Y CA 0.220 58.361 58.100 0.069 0.000 1.419 476 Y CB 0.307 38.795 38.460 0.048 0.000 1.250 476 Y HN 0.060 nan 8.280 nan 0.000 0.540 477 G N 4.033 112.704 108.800 -0.215 0.000 2.608 477 G HA2 0.276 4.236 3.960 0.000 0.000 0.291 477 G HA3 0.276 4.236 3.960 0.000 0.000 0.291 477 G C -2.504 172.362 174.900 -0.057 0.000 1.425 477 G CA -0.949 44.085 45.100 -0.110 0.000 0.787 477 G HN 0.502 nan 8.290 nan 0.000 0.484 478 Y N 1.524 121.764 120.300 -0.100 0.000 2.326 478 Y HA 0.543 5.093 4.550 0.000 0.000 0.337 478 Y C 0.164 175.960 175.900 -0.173 0.000 1.023 478 Y CA -1.451 56.535 58.100 -0.190 0.000 1.143 478 Y CB 1.422 39.786 38.460 -0.160 0.000 1.183 478 Y HN 0.417 nan 8.280 nan 0.000 0.485 479 N N 4.891 123.171 118.700 -0.701 0.000 2.521 479 N HA 0.176 4.916 4.740 0.000 0.000 0.236 479 N C 0.512 175.474 175.510 -0.915 0.000 1.067 479 N CA 0.536 53.236 53.050 -0.583 0.000 0.939 479 N CB 1.077 39.339 38.487 -0.375 0.000 1.201 479 N HN 0.898 nan 8.380 nan 0.000 0.511 480 A N 3.715 126.169 122.820 -0.611 0.000 1.978 480 A HA -0.115 4.205 4.320 0.000 0.000 0.220 480 A C 2.039 179.460 177.584 -0.271 0.000 1.170 480 A CA 1.873 53.674 52.037 -0.393 0.000 0.636 480 A CB -0.531 18.436 19.000 -0.055 0.000 0.810 480 A HN 0.686 nan 8.150 nan 0.000 0.448 481 A N -0.683 122.001 122.820 -0.227 0.000 1.929 481 A HA -0.008 4.312 4.320 0.000 0.000 0.216 481 A C 2.236 179.723 177.584 -0.163 0.000 1.176 481 A CA 2.180 54.129 52.037 -0.147 0.000 0.628 481 A CB -0.835 18.099 19.000 -0.109 0.000 0.816 481 A HN 0.814 nan 8.150 nan 0.000 0.444 482 T N -2.718 111.698 114.554 -0.230 0.000 3.054 482 T HA 0.215 4.565 4.350 0.000 0.000 0.255 482 T C 0.223 174.787 174.700 -0.226 0.000 1.035 482 T CA 0.604 62.592 62.100 -0.187 0.000 0.941 482 T CB -0.418 68.357 68.868 -0.155 0.000 1.026 482 T HN 0.633 nan 8.240 nan 0.000 0.533 483 E N 1.670 121.657 120.200 -0.355 0.000 2.403 483 E HA -0.231 4.119 4.350 0.000 0.000 0.241 483 E C -0.417 175.988 176.600 -0.326 0.000 1.201 483 E CA 0.935 57.124 56.400 -0.350 0.000 0.721 483 E CB -2.226 27.436 29.700 -0.063 0.000 1.245 483 E HN 0.949 nan 8.360 nan 0.000 0.392 484 E N -0.404 119.517 120.200 -0.465 0.000 2.367 484 E HA 0.529 4.879 4.350 0.000 0.000 0.273 484 E C -0.750 175.628 176.600 -0.369 0.000 0.903 484 E CA -1.034 55.177 56.400 -0.315 0.000 0.764 484 E CB 0.953 30.594 29.700 -0.097 0.000 1.252 484 E HN 0.081 nan 8.360 nan 0.000 0.446 485 Y N 0.207 120.509 120.300 0.002 0.000 2.300 485 Y HA 0.621 5.171 4.550 0.000 0.000 0.328 485 Y C 1.104 176.970 175.900 -0.057 0.000 1.270 485 Y CA 0.716 58.758 58.100 -0.097 0.000 1.352 485 Y CB 1.656 40.022 38.460 -0.157 0.000 1.286 485 Y HN 0.840 nan 8.280 nan 0.000 0.536 486 G N 0.530 109.359 108.800 0.049 0.000 2.321 486 G HA2 0.014 3.974 3.960 0.000 0.000 0.296 486 G HA3 0.014 3.974 3.960 0.000 0.000 0.296 486 G C -1.944 173.034 174.900 0.131 0.000 1.287 486 G CA -1.217 43.969 45.100 0.143 0.000 0.846 486 G HN 0.535 nan 8.290 nan 0.000 0.508 487 N N 0.976 119.758 118.700 0.136 0.000 2.420 487 N HA 0.105 4.845 4.740 0.000 0.000 0.262 487 N C 1.680 177.223 175.510 0.054 0.000 1.144 487 N CA -0.431 52.685 53.050 0.110 0.000 0.952 487 N CB 0.825 39.369 38.487 0.094 0.000 1.081 487 N HN 0.388 nan 8.380 nan 0.000 0.480 488 M N 3.512 123.138 119.600 0.044 0.000 2.229 488 M HA -0.120 4.360 4.480 0.000 0.000 0.264 488 M C 1.496 177.806 176.300 0.015 0.000 1.063 488 M CA 0.862 56.172 55.300 0.016 0.000 1.114 488 M CB -0.462 32.148 32.600 0.016 0.000 1.387 488 M HN 0.526 nan 8.290 nan 0.000 0.420 489 I N 0.571 121.156 120.570 0.026 0.000 2.353 489 I HA -0.222 3.948 4.170 0.000 0.000 0.248 489 I C 1.792 177.918 176.117 0.016 0.000 1.119 489 I CA 1.289 62.601 61.300 0.020 0.000 1.417 489 I CB -1.408 36.606 38.000 0.024 0.000 1.078 489 I HN 0.227 nan 8.210 nan 0.000 0.421 490 D N 0.600 121.012 120.400 0.021 0.000 2.178 490 D HA -0.103 4.537 4.640 0.000 0.000 0.202 490 D C 2.190 178.495 176.300 0.008 0.000 0.974 490 D CA 1.001 55.011 54.000 0.017 0.000 0.841 490 D CB -0.045 40.770 40.800 0.025 0.000 0.953 490 D HN 0.333 nan 8.370 nan 0.000 0.478 491 M N -0.760 118.842 119.600 0.002 0.000 2.618 491 M HA 0.159 4.639 4.480 0.000 0.000 0.240 491 M C 1.103 177.394 176.300 -0.015 0.000 1.123 491 M CA 0.504 55.796 55.300 -0.013 0.000 1.060 491 M CB 0.430 33.013 32.600 -0.028 0.000 1.535 491 M HN 0.020 nan 8.290 nan 0.000 0.507 492 G N 2.321 111.117 108.800 -0.007 0.000 2.160 492 G HA2 -0.244 3.716 3.960 0.000 0.000 0.251 492 G HA3 -0.244 3.716 3.960 0.000 0.000 0.251 492 G C 0.093 174.988 174.900 -0.009 0.000 1.008 492 G CA -0.154 44.942 45.100 -0.006 0.000 0.724 492 G HN 0.570 nan 8.290 nan 0.000 0.514 493 I N 1.337 121.900 120.570 -0.011 0.000 2.243 493 I HA 0.331 4.501 4.170 0.000 0.000 0.289 493 I C 0.529 176.646 176.117 -0.001 0.000 1.140 493 I CA -0.251 61.041 61.300 -0.013 0.000 1.289 493 I CB 0.093 38.078 38.000 -0.026 0.000 1.498 493 I HN 0.003 nan 8.210 nan 0.000 0.561 494 L N 4.031 125.256 121.223 0.003 0.000 2.296 494 L HA 0.523 4.863 4.340 0.000 0.000 0.286 494 L C -0.551 176.326 176.870 0.012 0.000 1.023 494 L CA -0.776 54.069 54.840 0.009 0.000 0.812 494 L CB 1.366 43.431 42.059 0.010 0.000 1.223 494 L HN 0.307 nan 8.230 nan 0.000 0.421 495 D N 3.766 124.175 120.400 0.015 0.000 2.175 495 D HA 0.358 4.998 4.640 0.000 0.000 0.248 495 D C -2.441 173.871 176.300 0.020 0.000 1.047 495 D CA -1.526 52.485 54.000 0.018 0.000 0.883 495 D CB 1.736 42.547 40.800 0.019 0.000 1.180 495 D HN 0.208 nan 8.370 nan 0.000 0.438 496 P HA 0.121 nan 4.420 nan 0.000 0.276 496 P C 0.703 178.017 177.300 0.023 0.000 1.235 496 P CA -0.220 62.895 63.100 0.025 0.000 0.772 496 P CB 0.765 32.484 31.700 0.032 0.000 0.871 497 T N 2.674 117.240 114.554 0.019 0.000 2.635 497 T HA -0.230 4.120 4.350 0.000 0.000 0.267 497 T C 1.634 176.342 174.700 0.013 0.000 1.040 497 T CA 1.561 63.669 62.100 0.014 0.000 1.156 497 T CB -0.497 68.377 68.868 0.011 0.000 0.863 497 T HN 0.497 nan 8.240 nan 0.000 0.430 498 K N 0.693 121.104 120.400 0.018 0.000 2.163 498 K HA -0.201 4.119 4.320 0.000 0.000 0.210 498 K C 2.286 178.903 176.600 0.030 0.000 1.048 498 K CA 1.873 58.173 56.287 0.022 0.000 0.928 498 K CB -0.393 32.128 32.500 0.035 0.000 0.716 498 K HN 0.368 nan 8.250 nan 0.000 0.459 499 V N -1.042 118.893 119.914 0.035 0.000 2.446 499 V HA -0.108 4.012 4.120 0.000 0.000 0.244 499 V C 1.734 177.847 176.094 0.031 0.000 1.039 499 V CA 2.102 64.428 62.300 0.043 0.000 1.045 499 V CB -0.466 31.384 31.823 0.044 0.000 0.681 499 V HN 0.326 nan 8.190 nan 0.000 0.459 500 T N 0.897 115.463 114.554 0.021 0.000 2.759 500 T HA -0.168 4.182 4.350 0.000 0.000 0.269 500 T C 2.054 176.753 174.700 -0.001 0.000 1.042 500 T CA 2.052 64.160 62.100 0.014 0.000 1.140 500 T CB -0.411 68.465 68.868 0.012 0.000 0.864 500 T HN 0.524 nan 8.240 nan 0.000 0.455 501 R N 0.890 121.383 120.500 -0.012 0.000 2.075 501 R HA 0.049 4.389 4.340 0.000 0.000 0.226 501 R C 2.400 178.647 176.300 -0.088 0.000 1.114 501 R CA 1.342 57.417 56.100 -0.042 0.000 0.972 501 R CB -0.589 29.687 30.300 -0.040 0.000 0.869 501 R HN 0.273 nan 8.270 nan 0.000 0.437 502 S N 1.073 116.732 115.700 -0.068 0.000 2.368 502 S HA -0.065 4.405 4.470 0.000 0.000 0.224 502 S C 2.084 176.663 174.600 -0.036 0.000 1.029 502 S CA 1.135 59.258 58.200 -0.129 0.000 0.988 502 S CB -0.277 62.980 63.200 0.095 0.000 0.838 502 S HN 0.540 nan 8.310 nan 0.000 0.462 503 A N 1.874 124.725 122.820 0.052 0.000 1.903 503 A HA -0.139 4.181 4.320 0.000 0.000 0.219 503 A C 2.116 179.718 177.584 0.030 0.000 1.191 503 A CA 1.467 53.547 52.037 0.071 0.000 0.638 503 A CB -0.933 18.097 19.000 0.050 0.000 0.823 503 A HN 0.459 nan 8.150 nan 0.000 0.451 504 L N -0.906 120.308 121.223 -0.015 0.000 1.994 504 L HA -0.258 4.082 4.340 0.000 0.000 0.208 504 L C 2.838 179.670 176.870 -0.063 0.000 1.071 504 L CA 2.282 57.105 54.840 -0.028 0.000 0.745 504 L CB -0.727 41.312 42.059 -0.033 0.000 0.892 504 L HN 0.566 nan 8.230 nan 0.000 0.431 505 Q N -1.077 118.628 119.800 -0.159 0.000 2.002 505 Q HA -0.262 4.078 4.340 0.000 0.000 0.204 505 Q C 2.071 177.956 176.000 -0.191 0.000 0.988 505 Q CA 2.273 57.926 55.803 -0.249 0.000 0.843 505 Q CB -0.312 28.163 28.738 -0.437 0.000 0.908 505 Q HN 0.466 nan 8.270 nan 0.000 0.420 506 Y N -0.110 120.194 120.300 0.006 0.000 2.224 506 Y HA -0.172 4.378 4.550 0.000 0.000 0.289 506 Y C 2.293 178.196 175.900 0.005 0.000 1.146 506 Y CA 0.877 58.980 58.100 0.005 0.000 1.182 506 Y CB -0.885 37.577 38.460 0.003 0.000 0.983 506 Y HN 0.166 nan 8.280 nan 0.000 0.524 507 A N 0.081 122.984 122.820 0.139 0.000 1.873 507 A HA -0.077 4.243 4.320 0.000 0.000 0.215 507 A C 2.502 180.120 177.584 0.058 0.000 1.186 507 A CA 1.884 53.972 52.037 0.085 0.000 0.616 507 A CB -1.244 17.791 19.000 0.058 0.000 0.823 507 A HN 0.373 nan 8.150 nan 0.000 0.442 508 A N -0.889 121.952 122.820 0.034 0.000 1.902 508 A HA -0.102 4.218 4.320 0.000 0.000 0.217 508 A C 2.460 180.062 177.584 0.030 0.000 1.181 508 A CA 2.143 54.193 52.037 0.021 0.000 0.623 508 A CB -1.027 17.975 19.000 0.003 0.000 0.818 508 A HN 0.540 nan 8.150 nan 0.000 0.443 509 S N -0.777 114.949 115.700 0.043 0.000 2.365 509 S HA -0.184 4.286 4.470 0.000 0.000 0.225 509 S C 2.059 176.694 174.600 0.057 0.000 1.039 509 S CA 2.259 60.493 58.200 0.056 0.000 1.033 509 S CB -0.628 62.629 63.200 0.096 0.000 0.887 509 S HN 1.004 nan 8.310 nan 0.000 0.447 510 V N 0.935 120.889 119.914 0.066 0.000 2.446 510 V HA 0.223 4.343 4.120 0.000 0.000 0.244 510 V C 2.407 178.523 176.094 0.037 0.000 1.039 510 V CA 1.638 63.967 62.300 0.048 0.000 1.045 510 V CB -1.279 30.571 31.823 0.045 0.000 0.681 510 V HN 0.504 nan 8.190 nan 0.000 0.459 511 A N 1.146 123.988 122.820 0.036 0.000 1.903 511 A HA -0.129 4.191 4.320 0.000 0.000 0.219 511 A C 2.467 180.066 177.584 0.025 0.000 1.191 511 A CA 2.627 54.681 52.037 0.028 0.000 0.638 511 A CB -1.822 17.194 19.000 0.026 0.000 0.823 511 A HN 0.876 nan 8.150 nan 0.000 0.451 512 G N -0.340 108.474 108.800 0.025 0.000 2.553 512 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 512 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 512 G C 1.595 176.508 174.900 0.021 0.000 1.195 512 G CA 1.246 46.359 45.100 0.021 0.000 0.779 512 G HN 0.456 nan 8.290 nan 0.000 0.577 513 L N -0.303 120.934 121.223 0.024 0.000 2.012 513 L HA -0.069 4.271 4.340 0.000 0.000 0.210 513 L C 3.160 180.044 176.870 0.023 0.000 1.073 513 L CA 1.205 56.059 54.840 0.023 0.000 0.748 513 L CB -0.261 41.813 42.059 0.025 0.000 0.891 513 L HN 0.247 nan 8.230 nan 0.000 0.431 514 M N -0.297 119.317 119.600 0.024 0.000 2.202 514 M HA -0.206 4.274 4.480 0.000 0.000 0.262 514 M C 2.117 178.431 176.300 0.023 0.000 1.063 514 M CA 1.658 56.973 55.300 0.024 0.000 1.097 514 M CB -0.348 32.267 32.600 0.024 0.000 1.382 514 M HN 0.377 nan 8.290 nan 0.000 0.413 515 I N -2.263 118.319 120.570 0.021 0.000 3.564 515 I HA -0.016 4.154 4.170 0.000 0.000 0.294 515 I C 1.521 177.650 176.117 0.020 0.000 1.289 515 I CA 0.974 62.285 61.300 0.019 0.000 1.325 515 I CB -0.489 37.521 38.000 0.017 0.000 1.039 515 I HN 0.126 nan 8.210 nan 0.000 0.474 516 T N -2.431 112.137 114.554 0.022 0.000 3.145 516 T HA 0.201 4.551 4.350 0.000 0.000 0.255 516 T C 0.646 175.363 174.700 0.028 0.000 1.039 516 T CA -0.268 61.846 62.100 0.024 0.000 0.928 516 T CB -0.831 68.050 68.868 0.022 0.000 1.029 516 T HN 0.220 nan 8.240 nan 0.000 0.554 517 T N 2.757 117.328 114.554 0.028 0.000 2.853 517 T HA 0.201 4.551 4.350 0.000 0.000 0.298 517 T C 0.802 175.525 174.700 0.039 0.000 0.978 517 T CA 0.050 62.169 62.100 0.031 0.000 1.152 517 T CB 1.262 70.147 68.868 0.028 0.000 0.914 517 T HN 0.384 nan 8.240 nan 0.000 0.539 518 E N 0.989 121.221 120.200 0.053 0.000 2.474 518 E HA 0.194 4.544 4.350 0.000 0.000 0.215 518 E C 0.068 176.739 176.600 0.118 0.000 0.867 518 E CA -0.064 56.388 56.400 0.086 0.000 1.135 518 E CB 0.565 30.323 29.700 0.096 0.000 1.147 518 E HN 0.632 nan 8.360 nan 0.000 0.534 519 C N 0.338 119.668 119.300 0.051 0.000 2.898 519 C HA 0.792 5.252 4.460 0.000 0.000 0.304 519 C C -1.441 173.496 174.990 -0.089 0.000 1.237 519 C CA -0.654 58.310 59.018 -0.091 0.000 1.529 519 C CB 0.685 28.354 27.740 -0.119 0.000 2.021 519 C HN 0.352 nan 8.230 nan 0.000 0.474 520 M N 4.418 123.944 119.600 -0.124 0.000 2.271 520 M HA 0.502 4.982 4.480 0.000 0.000 0.285 520 M C -1.334 175.022 176.300 0.093 0.000 1.059 520 M CA -0.439 54.888 55.300 0.046 0.000 0.940 520 M CB 2.131 34.852 32.600 0.203 0.000 1.636 520 M HN 0.404 nan 8.290 nan 0.000 0.460 521 V N 1.726 121.655 119.914 0.024 0.000 2.487 521 V HA 0.816 4.936 4.120 0.000 0.000 0.298 521 V C -0.221 175.814 176.094 -0.098 0.000 1.028 521 V CA -0.293 61.992 62.300 -0.024 0.000 0.860 521 V CB 1.937 33.732 31.823 -0.047 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.427 522 T N 2.198 116.644 114.554 -0.179 0.000 2.665 522 T HA 0.385 4.735 4.350 0.000 0.000 0.303 522 T C -1.554 173.019 174.700 -0.212 0.000 1.334 522 T CA -0.516 61.425 62.100 -0.266 0.000 1.011 522 T CB 1.935 70.497 68.868 -0.511 0.000 1.573 522 T HN 0.583 nan 8.240 nan 0.000 0.492 523 D N 1.172 121.455 120.400 -0.195 0.000 2.344 523 D HA 0.416 5.056 4.640 0.000 0.000 0.244 523 D C 0.137 176.364 176.300 -0.122 0.000 1.134 523 D CA -0.094 53.831 54.000 -0.125 0.000 0.930 523 D CB 0.469 41.211 40.800 -0.097 0.000 1.175 523 D HN 0.414 nan 8.370 nan 0.000 0.437 524 L N 2.776 123.961 121.223 -0.064 0.000 2.456 524 L HA 0.181 4.521 4.340 0.000 0.000 0.272 524 L C -1.379 175.468 176.870 -0.038 0.000 1.189 524 L CA -1.346 53.474 54.840 -0.035 0.000 0.846 524 L CB 0.080 42.132 42.059 -0.011 0.000 1.111 524 L HN 0.332 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 525 P CB 0.000 31.703 31.700 0.006 0.000 0.726